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Sample records for tailored gc5 non-equilibrium

  1. Non-equilibrium STLS approach to transport properties of single...

    Office of Scientific and Technical Information (OSTI)

    Non-equilibrium STLS approach to transport properties of single impurity Anderson model Citation Details In-Document Search Title: Non-equilibrium STLS approach to transport ...

  2. Non-equilibrium many body dynamics

    SciTech Connect (OSTI)

    Creutz, M.; Gyulassy, M.

    1997-09-22

    This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

  3. Electron Broadening of Isolated Lines with Stationary Non-Equilibrium...

    Office of Scientific and Technical Information (OSTI)

    Title: Electron Broadening of Isolated Lines with Stationary Non-Equilibrium Level Populations It is shown that a quantum kinetic theory approach to line broadening, extended to ...

  4. Fe Atomic Data for Non-equilibrium Ionization Plasmas Eriksen...

    Office of Scientific and Technical Information (OSTI)

    Fe Atomic Data for Non-equilibrium Ionization Plasmas Eriksen, Kristoffer A. Los Alamos National Laboratory; Fontes, Christopher J. Los Alamos National Laboratory; Colgan,...

  5. Non-equilibrium tunneling in zigzag graphene nanoribbon break...

    Office of Scientific and Technical Information (OSTI)

    Spintronic devices promise new faster and lower energy-consumption electronic systems. ... In this paper, by utilizing density functional theory and non-equilibrium green function ...

  6. Fe Atomic Data for Non-equilibrium Ionization Plasmas (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Fe Atomic Data for Non-equilibrium Ionization Plasmas Citation Details In-Document Search Title: Fe Atomic Data for Non-equilibrium Ionization Plasmas No abstract prepared. Authors: Eriksen, Kristoffer A. [1] ; Fontes, Christopher J. [1] ; Colgan, James P. [1] ; Zhang, Honglin [1] ; Hungerford, Aimee L. [1] ; Fryer, Christopher L. [1] ; Hughes, John P. [2] ; Smith, Randall K. [3] ; Badenes, Carles [4] + Show Author Affiliations Los Alamos National Laboratory Rutgers

  7. Boltzmann equation solver adapted to emergent chemical non-equilibrium

    SciTech Connect (OSTI)

    Birrell, Jeremiah; Wilkening, Jon; Rafelski, Johann

    2015-01-15

    We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow for emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature T(t) and phase space occupation factor ?(t). In this first paper we address (effectively) massless fermions and derive dynamical equations for T(t) and ?(t) such that the zeroth order term of the basis alone captures the particle number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to easily represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component (e{sup }-annihilation)

  8. Non-Equilibrium Pathways during Electrochemical Phase Transformations in

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

    Single Crystals Revealed by Dynamic Chemical Imaging at Nanoscale Resolution | Stanford Synchrotron Radiation Lightsource Non-Equilibrium Pathways during Electrochemical Phase Transformations in Single Crystals Revealed by Dynamic Chemical Imaging at Nanoscale Resolution Friday, February 27, 2015 The energy density of current batteries is limited by the practical capacity of the positive electrode, which is the determined by the properties of the active material and its concentration in the

  9. Characterization of non equilibrium effects on high quality critical flows

    SciTech Connect (OSTI)

    Camelo, E.; Lemonnier, H.; Ochterbeck, J.

    1995-09-01

    The appropriate design of various pieces of safety equipment such as relief systems, relies on the accurate description of critical flow phenomena. Most of the systems of industrial interest are willing to be described by one-dimensional area-averaged models and a large fraction of them involves multi-component high gas quality flows. Within these circumstances, the flow is very likely to be of an annular dispersed nature and its description by two-fluid models requires various closure relations. Among the most sensitive closures, there is the interfacial area and the liquid entrained fraction. The critical flowrate depends tremendously on the accurate description of the non equilibrium which results from the correctness of the closure equations. In this study, two-component flows are emphasized and non equilibrium results mainly form the differences in the phase velocities. It is therefore of the utmost importance to have reliable data to characterize non equilibrium phenomena and to assess the validity of the closure models. A comprehensive description of air-water nozzle flows, with emphasis on the effect of the nozzle geometry, has been undertaken and some of the results are presented here which helps understanding the overall flow dynamics. Besides the critical flowrate, the presented material includes pressure profiles, droplet size and velocity, liquid film flowrate and liquid film thickness.

  10. High-Z Non-Equilibrium Physics and Bright X-ray Sources with...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: High-Z Non-Equilibrium Physics and Bright X-ray Sources with New Laser Targets Citation Details In-Document Search Title: High-Z Non-Equilibrium Physics and ...

  11. High-Z Non-Equilibrium Physics and Bright X-ray Sources with...

    Office of Scientific and Technical Information (OSTI)

    X-ray Sources with New Laser Targets Citation Details In-Document Search Title: High-Z Non-Equilibrium Physics and Bright X-ray Sources with New Laser Targets You are ...

  12. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    SciTech Connect (OSTI)

    Rezai, Raheleh Ebrahimi, Farshad

    2014-04-15

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electronelectron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the currentvoltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electronelectron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U{sup 2} IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior. -- Highlights: We introduce for the first time the non-equilibrium method of STLS for Hubbard type models. We determine the transport properties of SIAM using the non-equilibrium STLS method. We compare our results with order-U2 IPT and NRG. We show that non-equilibrium STLS, contrary to the GW and self-consistent RPA, produces the two Hubbard peaks in DOS. We show that the method keeps the universal scaling behavior and correct exponential behavior

  13. Non-equilibrium scaling analysis of the Kondo model with voltage bias

    SciTech Connect (OSTI)

    Fritsch, Peter Kehrein, Stefan

    2009-05-15

    The quintessential description of Kondo physics in equilibrium is obtained within a scaling picture that shows the buildup of Kondo screening at low temperature. For the non-equilibrium Kondo model with a voltage bias, the key new feature are decoherence effects due to the current across the impurity. In the present paper, we show how one can develop a consistent framework for studying the non-equilibrium Kondo model within a scaling picture of infinitesimal unitary transformations (flow equations). Decoherence effects appear naturally in third order of the {beta}-function and dominate the Hamiltonian flow for sufficiently large voltage bias. We work out the spin dynamics in non-equilibrium and compare it with finite temperature equilibrium results. In particular, we report on the behavior of the static spin susceptibility including leading logarithmic corrections and compare it with the celebrated equilibrium result as a function of temperature.

  14. Prediction of non-equilibrium solidification modes in austenitic stainless steel laser welds

    SciTech Connect (OSTI)

    Vitek, J.M.; David, S.A.

    1993-08-01

    A primary austenitic, non-equilibrium mode of solidification can be induced in many 300 series austenitic stainless steels by laser welding and other rapid solidification techniques. The change in solidification mode can often result in a fully austenitic microstructure compared to the two phase ferrite plus austenite microstructure that is commonly found after primary ferrite solidification. A predictive capability for the solidification mode under rapid solidification conditions such as laser welding is needed since the microstructure and properties are closely related to solidification behavior. Conventional constitutional diagrams do not predict with any reliability the change to non-equilibrium austenitic solidification mode. Several means that have been attempted to predict the solidification behavior under extreme conditions are reviewed. The Cr{sub EQ}/Ni{sub EQ} ratio is shown to be unreliable, at least with the equivalence factors commonly used. Theoretical calculations of growth rate competition between ferrite and austenite solidification show promise, but some ambiguity results from inaccuracy in thermophysical material parameters. Use of calculated thermodynamic parameters such as equilibrium and non-equilibrium liquidus and solidus temperatures also shows some promise. However, this approach is not completely satisfactory and reliable either. It is concluded that a reliable and accurate method for predicting the tendency of austenitic stainless steels to solidify in the non-equilibrium mode is not yet available.

  15. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

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

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields andmore » the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.« less

  16. 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

  17. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    SciTech Connect (OSTI)

    Wu, Wei; Wang, Jin

    2014-09-14

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.

  18. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    SciTech Connect (OSTI)

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.

  19. Laser induced plasma on copper target, a non-equilibrium model

    SciTech Connect (OSTI)

    Oumeziane, Amina Ait Liani, Bachir; Parisse, Jean-Denis

    2014-02-15

    The aim of this work is to present a comprehensive numerical model for the UV laser ablation of metal targets, it focuses mainly on the prediction of laser induced plasma thresholds, the effect of the laser-plasma interaction, and the importance of the electronic non-equilibrium in the laser induced plume and its expansion in the background gas. This paper describes a set of numerical models for laser-matter interaction between 193-248 and 355 nm lasers and a copper target. Along with the thermal effects inside the material resulting from the irradiation of the latter with the pulsed laser, the laser-evaporated matter interaction and the plasma formation are thoroughly modelled. In the laser induced plume, the electronic nonequilibrium and the laser beam absorption have been investigated. Our calculations of the plasmas ignition thresholds on copper targets have been validated and compared to experimental as well as theoretical results. Comparison with experiment data indicates that our results are in good agreement with those reported in the literature. Furthermore, the inclusion of electronic non-equilibrium in our work indicated that this important process must be included in models of laser ablation and plasma plume formation.

  20. Collision integrals for charged-charged interaction in two-temperature non-equilibrium plasma

    SciTech Connect (OSTI)

    Ghorui, S.; Das, A. K.

    2013-09-15

    Choice of an appropriate form of shielding distance in the estimation of collision integrals under screened coulomb potential for two-temperature non-equilibrium plasma is addressed. Simple expressions for collision integrals for charged-charged interactions are derived. It is shown that while some of the formalisms used earlier completely ignore the presence of ions, the others incorporating it may result in negative collision integrals for the interactions involving particles at higher charged states. The parametric regimes of concern and impact of different formalisms on the computed transport properties are investigated with specific reference to nitrogen plasma. A revised definition of the shielding distance is proposed, which incorporates both electrons and ions, avoids the problem of negative collision integrals in all practical regimes of interest and results in calculated property values in close agreement with experimentally observed results.

  1. Entropy analysis on non-equilibrium two-phase flow models

    SciTech Connect (OSTI)

    Karwat, H.; Ruan, Y.Q.

    1995-09-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

  2. Heat Transfer and Fluid Transport of Supercritical CO2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

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

    Zhang, Le; Luo, Feng; Xu, Ruina; Jiang, Peixue; Liu, Huihai

    2014-12-31

    The heat transfer and fluid transport of supercritical CO2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetricmore » heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.« less

  3. Numerical solution of 2D wet steam flow with non-equilibrium condensation and real thermodynamics

    SciTech Connect (OSTI)

    Hric, V.; Halama, J.

    2015-03-10

    An approach to modeling of wet steam flow with non-equilibrium condensation phenomenon is presented. The first part of our flow model is homogeneous Euler system of transport equations for mass, momentum and total energy of wet steam (mixture). The additional second part describes liquid phase via non-homogeneous system of transport equations for moments of droplets number distribution function and relies on corrected classical nucleation theory. Moment equations are closed by linearization of droplet growth rate model. All necessary relations for thermodynamic properties of steam are provided by IAPWS set of equations. However, properties of condensate are simply modeled by liquid saturation data. Two real equations of state are implemented. Recently developed CFD formulation for entropy (does not require iteration process) and so-called IAPWS special gas equation for Helmholtz energy (one iteration loop is necessary). Flow model is validated on converging-diverging supersonic nozzle with Barschdorff geometry. Simulations were performed by in-house CFD code based on finite volume method and stiff character of equations was solved by symmetrical time operator splitting. Achieved results satisfactorily agreed with experimental data.

  4. Cosmological QCD phase transition in steady non-equilibrium dissipative Ho?avaLifshitz early universe

    SciTech Connect (OSTI)

    Khodadi, M. Sepangi, H.R.

    2014-07-15

    We study the phase transition from quarkgluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about 110?s old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Ho?avaLifshitz cosmology within an effective model of QCD. We consider a flat FriedmannRobertsonWalker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Ho?avaLifshitz gravity, ?, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature T, scale factor a, deceleration parameter q and dimensionless ratio of the bulk viscosity coefficient to entropy density (?)/s . We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the IsraelStewart fluid, respectively. -- Highlights: In this paper we have studied quarkhadron phase transition in the early universe in the context of the Ho?avaLifshitz model. We use a flat FRW universe with the bulk viscosity cosmological background fluid obeying the evolution equation of the steady truncated (Eckart) and full version of the IsraelStewart fluid, respectively.

  5. Influence of Penning effect on the plasma features in a non-equilibrium atmospheric pressure plasma jet

    SciTech Connect (OSTI)

    Chang, Zhengshi; Zhang, Guanjun; Jiang, Nan; Cao, Zexian

    2014-03-14

    Non-equilibrium atmospheric pressure plasma jet (APPJ) is a cold plasma source that promises various innovative applications. The influence of Penning effect on the formation, propagation, and other physical properties of the plasma bullets in APPJ remains a debatable topic. By using a 10?cm wide active electrode and a frequency of applied voltage down to 0.5?Hz, the Penning effect caused by preceding discharges can be excluded. It was found that the Penning effect originating in a preceding discharge helps build a conductive channel in the gas flow and provide seed electrons, thus the discharge can be maintained at a low voltage which in turn leads to a smaller propagation speed for the plasma bullet. Photographs from an intensified charge coupled device reveal that the annular structure of the plasma plume for He is irrelevant to the Penning ionization process arising from preceding discharges. By adding NH{sub 3} into Ar to introduce Penning effect, the originally filamentous discharge of Ar can display a rather extensive plasma plume in ambient as He. These results are helpful for the understanding of the behaviors of non-equilibrium APPJs generated under distinct conditions and for the design of plasma jet features, especially the spatial distribution and propagation speed, which are essential for application.

  6. Comparative analysis of quantum cascade laser modeling based on density matrices and non-equilibrium Green's functions

    SciTech Connect (OSTI)

    Lindskog, M. Wacker, A.; Wolf, J. M.; Liverini, V.; Faist, J.; Trinite, V.; Maisons, G.; Carras, M.; Aidam, R.; Ostendorf, R.

    2014-09-08

    We study the operation of an 8.5 μm quantum cascade laser based on GaInAs/AlInAs lattice matched to InP using three different simulation models based on density matrix (DM) and non-equilibrium Green's function (NEGF) formulations. The latter advanced scheme serves as a validation for the simpler DM schemes and, at the same time, provides additional insight, such as the temperatures of the sub-band carrier distributions. We find that for the particular quantum cascade laser studied here, the behavior is well described by simple quantum mechanical estimates based on Fermi's golden rule. As a consequence, the DM model, which includes second order currents, agrees well with the NEGF results. Both these simulations are in accordance with previously reported data and a second regrown device.

  7. The non-equilibrium response of a superconductor to pair-breaking radiation measured over a broad frequency band

    SciTech Connect (OSTI)

    Visser, P. J. de; Yates, S. J. C.; Guruswamy, T.; Goldie, D. J.; Withington, S.; Neto, A.; Llombart, N.; Baryshev, A. M.; Klapwijk, T. M.; Baselmans, J. J. A.

    2015-06-22

    We have measured the absorption of terahertz radiation in a BCS superconductor over a broad range of frequencies from 200 GHz to 1.1 THz, using a broadband antenna-lens system and a tantalum microwave resonator. From low frequencies, the response of the resonator rises rapidly to a maximum at the gap edge of the superconductor. From there on, the response drops to half the maximum response at twice the pair-breaking energy. At higher frequencies, the response rises again due to trapping of pair-breaking phonons in the superconductor. In practice, this is a measurement of the frequency dependence of the quasiparticle creation efficiency due to pair-breaking in a superconductor. The efficiency, calculated from the different non-equilibrium quasiparticle distribution functions at each frequency, is in agreement with the measurements.

  8. Heat Transfer and Fluid Transport of Supercritical CO2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

    SciTech Connect (OSTI)

    Zhang, Le; Luo, Feng; Xu, Ruina; Jiang, Peixue; Liu, Huihai

    2014-12-31

    The heat transfer and fluid transport of supercritical CO2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetric heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.

  9. Tailored Porous Materials

    SciTech Connect (OSTI)

    BARTON,THOMAS J.; BULL,LUCY M.; KLEMPERER,WALTER G.; LOY,DOUGLAS A.; MCENANEY,BRIAN; MISONO,MAKOTO; MONSON,PETER A.; PEZ,GUIDO; SCHERER,GEORGE W.; VARTULI,JAMES C.; YAGHI,OMAR M.

    1999-11-09

    Tailoring of porous materials involves not only chemical synthetic techniques for tailoring microscopic properties such as pore size, pore shape, pore connectivity, and pore surface reactivity, but also materials processing techniques for tailoring the meso- and the macroscopic properties of bulk materials in the form of fibers, thin films and monoliths. These issues are addressed in the context of five specific classes of porous materials: oxide molecular sieves, porous coordination solids, porous carbons, sol-gel derived oxides, and porous heteropolyanion salts. Reviews of these specific areas are preceded by a presentation of background material and review of current theoretical approaches to adsorption phenomena. A concluding section outlines current research needs and opportunities.

  10. Soft-spring wall based non-periodic boundary conditions for non-equilibrium molecular dynamics of dense fluids

    SciTech Connect (OSTI)

    Ghatage, Dhairyashil; Tomar, Gaurav Shukla, Ratnesh K.

    2015-03-28

    Non-equilibrium molecular dynamics (MD) simulations require imposition of non-periodic boundary conditions (NPBCs) that seamlessly account for the effect of the truncated bulk region on the simulated MD region. Standard implementation of specular boundary conditions in such simulations results in spurious density and force fluctuations near the domain boundary and is therefore inappropriate for coupled atomistic-continuum calculations. In this work, we present a novel NPBC model that relies on boundary atoms attached to a simple cubic lattice with soft springs to account for interactions from particles which would have been present in an untruncated full domain treatment. We show that the proposed model suppresses the unphysical fluctuations in the density to less than 1% of the mean while simultaneously eliminating spurious oscillations in both mean and boundary forces. The model allows for an effective coupling of atomistic and continuum solvers as demonstrated through multiscale simulation of boundary driven singular flow in a cavity. The geometric flexibility of the model enables straightforward extension to nonplanar complex domains without any adverse effects on dynamic properties such as the diffusion coefficient.

  11. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    SciTech Connect (OSTI)

    Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

  12. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

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

    Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique valuemore » but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.« less

  13. Stark broadening for diagnostics of the electron density in non-equilibrium plasma utilizing isotope hydrogen alpha lines

    SciTech Connect (OSTI)

    Yang, Lin; Tan, Xiaohua; Wan, Xiang; Chen, Lei; Jin, Dazhi; Qian, Muyang; Li, Gongping

    2014-04-28

    Two Stark broadening parameters including FWHM (full width at half maximum) and FWHA (full width at half area) of isotope hydrogen alpha lines are simultaneously introduced to determine the electron density of a pulsed vacuum arc jet. To estimate the gas temperature, the rotational temperature of the C{sub 2} Swan system is fit to 2500??100?K. A modified Boltzmann-plot method with b{sub i}-factor is introduced to determine the modified electron temperature. The comparison between results of atomic and ionic lines indicates the jet is in partial local thermodynamic equilibrium and the electron temperature is close to 13?000??400?K. Based on the computational results of Gig-Card calculation, a simple and precise interpolation algorithm for the discrete-points tables can be constructed to obtain the traditional n{sub e}-T{sub e} diagnostic maps of two Stark broadening parameters. The results from FWHA formula by the direct use of FWHM?=?FWHA and these from the diagnostic map are different. It can be attributed to the imprecise FWHA formula form and the deviation between FWHM and FWHA. The variation of the reduced mass pair due to the non-equilibrium effect contributes to the difference of the results derived from two hydrogen isotope alpha lines. Based on the Stark broadening analysis in this work, a corrected method is set up to determine n{sub e} of (1.10??0.08)??10{sup 21}?m{sup ?3}, the reference reduced mass ?{sub 0} pair of (3.30??0.82 and 1.65??0.41), and the ion kinetic temperature of 7900??1800?K.

  14. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    SciTech Connect (OSTI)

    Mac Low, Mordecai-Mark; Glover, Simon C. O. E-mail: glover@uni-heidelberg.de

    2012-02-20

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R{sub mol} and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H{sub 2} from cold atomic gas. The formation timescale for H{sub 2} is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H{sub 2} formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H{sub 2} formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H{sub 2}. The observed correlation of R{sub mol} with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R{sub mol} with density. If we examine the value of R{sub mol} in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  15. Spectral tailoring device

    DOE Patents [OSTI]

    Brager, H.R.; Schenter, R.E.; Carter, L.L.; Karnesky, R.A.

    1987-08-05

    A spectral tailoring device for altering the neutron energy spectra and flux of neutrons in a fast reactor thereby selectively to enhance or inhibit the transmutation rate of a target metrical to form a product isotope. Neutron moderators, neutron filters, neutron absorbers and neutron reflectors may be used as spectral tailoring devices. Depending on the intended use for the device, a member from each of these four classes of materials could be used singularly, or in combination, to provide a preferred neutron energy spectra and flux of the neutrons in the region of the target material. In one embodiment of the invention, an assembly is provided for enhancing the production of isotopes, such as cobalt 60 and gadolinium 153. In another embodiment of the invention, a spectral tailoring device is disposed adjacent a target material which comprises long lived or volatile fission products and the device is used to shift the neutron energy spectra and flux of neutrons in the region of the fission products to preferentially transmute them to produce a less volatile fission product inventory. 6 figs.

  16. Strong lattice correlation of non-equilibrium quasiparticles in a pseudospin-1/2 Mott insulator Sr2IrO4

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

    Li, Yuelin; Schaller, Richard D.; Zhu, Mengze; Walko, Donald A.; Kim, Jungho; Ke, Xianglin; Miao, Ludi; Mao, Z. Q.

    2016-01-20

    In correlated oxides the coupling of quasiparticles to other degrees of freedom such as spin and lattice plays critical roles in the emergence of symmetry-breaking quantum ordered states such as high temperature superconductivity. We report a strong lattice coupling of photon-induced quasiparticles in spin-orbital coupling Mott insulator Sr2IrO4 probed via optical excitation. Combining time-resolved x-ray diffraction and optical spectroscopy techniques, we reconstruct a spatiotemporal map of the diffusion of these quasiparticles. Lastly, due to the unique electronic configuration of the quasiparticles, the strong lattice correlation is unexpected but extends the similarity between Sr2IrO4 and cuprates to a new dimension ofmore » electron-phonon coupling which persists under highly non-equilibrium conditions.« less

  17. Tailored Materials Corp | Open Energy Information

    Open Energy Info (EERE)

    Zip: 85706 Sector: Carbon, Solar Product: String representation "Tailored Materi ... ng solar cells." is too long. References: Tailored Materials Corp1 This article is a stub....

  18. Spin-polarization and spin-dependent logic gates in a double quantum ring based on Rashba spin-orbit effect: Non-equilibrium Green's function approach

    SciTech Connect (OSTI)

    Eslami, Leila, E-mail: Leslami@iust.ac.ir; Esmaeilzadeh, Mahdi, E-mail: mahdi@iust.ac.ir [Department of Physics, Iran University of Science and Technology, Tehran 16846 (Iran, Islamic Republic of)

    2014-02-28

    Spin-dependent electron transport in an open double quantum ring, when each ring is made up of four quantum dots and threaded by a magnetic flux, is studied. Two independent and tunable gate voltages are applied to induce Rashba spin-orbit effect in the quantum rings. Using non-equilibrium Green's function formalism, we study the effects of electron-electron interaction on spin-dependent electron transport and show that although the electron-electron interaction induces an energy gap, it has no considerable effect when the bias voltage is sufficiently high. We also show that the double quantum ring can operate as a spin-filter for both spin up and spin down electrons. The spin-polarization of transmitted electrons can be tuned from ?1 (pure spin-down current) to +1 (pure spin-up current) by changing the magnetic flux and/or the gates voltage. Also, the double quantum ring can act as AND and NOR gates when the system parameters such as Rashba coefficient are properly adjusted.

  19. Tailored Working Fluids for Enhanced Binary Geothermal Power...

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

    Tailored Working Fluids for Enhanced Binary Geothermal Power Plants Tailored Working Fluids for Enhanced Binary Geothermal Power Plants DOE Geothermal Program Peer Review 2010 - ...

  20. High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded...

    Energy Savers [EERE]

    High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks 2013 DOE Hydrogen and Fuel Cells Program ...

  1. Non-Equilibrium Nanoscale Self-Organization

    SciTech Connect (OSTI)

    Aziz, Michael J

    2006-03-09

    Self-organized one- and two-dimensional arrays of nanoscale surface features ("ripples" and "dots") sometimes form spontaneously on initially flat surfaces eroded by a directed ion beam in a process called "sputter patterning". Experiments on this sputter patterning process with focused and unfocused ion beams, combined with theoretical advances, have been responsible for a number of scientific advances. Particularly noteworthy are (i) the discovery of propagative, rather than dissipative, behavior under some ion erosion conditions, permitting a pattern to be fabricated at a large length scale and propagated over large distances while maintaining, or even sharpening, the sharpest features; (ii) the first demonstration of guided self-organization of sputter patterns, along with the observation that defect density is minimized when the spacing between boundaries is near an integer times the natural spatial period; and (iii) the discovery of metastability of smooth surfaces, which contradicts the nearly universally accepted linear stability theory that predicts that any surface is linearly unstable to sinusoidal perturbations of some wave vector.

  2. Langmuir probe measurements in a time-fluctuating-highly ionized non-equilibrium cutting arc: Analysis of the electron retarding part of the time-averaged current-voltage characteristic of the probe

    SciTech Connect (OSTI)

    Prevosto, L.; Mancinelli, B.; Kelly, H.; Instituto de Fsica del Plasma , Departamento de Fsica, Facultad de Ciencias Exactas y Naturales Ciudad Universitaria Pab. I, 1428 Buenos Aires

    2013-12-15

    This work describes the application of Langmuir probe diagnostics to the measurement of the electron temperature in a time-fluctuating-highly ionized, non-equilibrium cutting arc. The electron retarding part of the time-averaged current-voltage characteristic of the probe was analysed, assuming that the standard exponential expression describing the electron current to the probe in collision-free plasmas can be applied under the investigated conditions. A procedure is described which allows the determination of the errors introduced in time-averaged probe data due to small-amplitude plasma fluctuations. It was found that the experimental points can be gathered into two well defined groups allowing defining two quite different averaged electron temperature values. In the low-current region the averaged characteristic was not significantly disturbed by the fluctuations and can reliably be used to obtain the actual value of the averaged electron temperature. In particular, an averaged electron temperature of 0.98 0.07 eV (= 11400 800 K) was found for the central core of the arc (30 A) at 3.5 mm downstream from the nozzle exit. This average included not only a time-average over the time fluctuations but also a spatial-average along the probe collecting length. The fitting of the high-current region of the characteristic using such electron temperature value together with the corrections given by the fluctuation analysis showed a relevant departure of local thermal equilibrium in the arc core.

  3. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Wednesday, 29 November 2006 00:00 Researchers at ...

  4. Engineering Property Prediction Tools for Tailored Polymer Composite...

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

    More Documents & Publications Engineering Property Prediction Tools for Tailored Polymer Composite Structures Vehicle Technologies Office Merit Review 2014: Predictive Engineering ...

  5. Vehicle Technologies Office Merit Review 2014: Tailored Materials for

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

    Improved Internal Combustion Engine Efficiency | Department of Energy Tailored Materials for Improved Internal Combustion Engine Efficiency Vehicle Technologies Office Merit Review 2014: Tailored Materials for Improved Internal Combustion Engine Efficiency Presentation given by Pacific Northwest National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about tailored materials for improved internal

  6. Near-infrared spectroscopy of the Y0 WISEP J173835.52+273258.9 and the Y1 WISE J035000.32–565830.2: The importance of non-equilibrium chemistry

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

    Leggett, Sandy K.; Tremblin, Patrick; Saumon, Didier; Marley, Mark S.; Morley, Caroline V.; Amundsen, David S.; Baraffe, Isabelle; Chabrier, Gilles

    2016-06-03

    Here, we present new near-infrared spectra, obtained at Gemini Observatory, for two Y dwarfs: WISE J035000.32–565830.2 (W0350) and WISEP J173835.52+273258.9 (W1738). A FLAMINGOS-2 R = 540 spectrum was obtained for W0350, coveringmore » $$1.0\\lt \\lambda \\;\\mu {\\rm{m}}$$ $$\\lt \\;1.7$$, and a cross-dispersed Gemini near-infrared spectrograph R = 2800 spectrum was obtained for W1738, covering 0.993–1.087 μm, 1.191–1.305 μm, 1.589–1.631 μm, and 1.985–2.175 μm, in four orders. We also present revised YJH photometry for W1738, using new NIRI Y and J imaging, and a re-analysis of the previously published NIRI H-band images. We compare these data, together with previously published data for late-T and Y dwarfs, to cloud-free models of solar metallicity, calculated both in chemical equilibrium and with disequilibrium driven by vertical transport. We find that for the Y dwarfs, the non-equilibrium models reproduce the near-infrared data better than the equilibrium models. The remaining discrepancies suggest that fine-tuning the CH4/CO and NH3/N2 balance is needed. Improved trigonometric parallaxes would improve the analysis. Despite the uncertainties and discrepancies, the models reproduce the observed near-infrared spectra well. We find that for the Y0, W1738, $${T}_{{\\rm{eff}}}=425\\pm 25\\;{\\rm{K}}$$, and log $$g=4.0\\pm 0.25$$, and for the Y1, W0350, $${T}_{{\\rm{eff}}}=350\\pm 25\\;{\\rm{K}}$$, and log $$g=4.0\\pm 0.25$$. W1738 may be metal-rich. Based on evolutionary models, these temperatures and gravities correspond to a mass range for both Y dwarfs of 3–9 Jupiter masses, with W0350 being a cooler, slightly older, version of W1738; the age of W0350 is 0.3–3 Gyr, and the age of W1738 is 0.15–1 Gyr.« less

  7. High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks |

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

    Department of Energy High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting lm075_hovanski_2013_o.pdf (3.29 MB) More Documents & Publications Vehicle Technologies Office Merit Review 2014: High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks Vehicle Technologies Office

  8. Tailored Working Fluids for Enhanced Binary Geothermal Power Plants |

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

    Department of Energy Tailored Working Fluids for Enhanced Binary Geothermal Power Plants Tailored Working Fluids for Enhanced Binary Geothermal Power Plants DOE Geothermal Program Peer Review 2010 - Presentation. Project Objective: To improve the utilization of available energy in geothermal resources and increase the energy conversion efficiency of systems employed by a) tailoring the subcritical and/or supercritical glide of enhanced working fluids to best match thermal resources, and b)

  9. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Researchers at the ... terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. ...

  10. Tailored Materials for High Efficiency CIDI Engines (Caterpillar...

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

    High Efficiency CIDI Engines (Caterpillar CRADA) Tailored Materials for High Efficiency CIDI Engines (Caterpillar CRADA) 2009 DOE Hydrogen Program and Vehicle Technologies Program ...

  11. Vehicle Technologies Office Merit Review 2014: Tailored Materials...

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

    Vehicle Technologies Office Merit Review 2014: Tailored Materials for Improved ... at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit ...

  12. Tailored Recovery of Carbons from Waste Tires for Enhanced Performance...

    Office of Scientific and Technical Information (OSTI)

    Morphologically tailored pyrolysis-recovered carbon black is utilized in lithium-ion ... Carbon was recovered from the modified rubber cake by pyrolysis in a nitrogen atmosphere. ...

  13. Tailoring the properties of organic aerogels

    SciTech Connect (OSTI)

    Not Available

    1993-05-01

    We have recently succeeded in producing a new class of organic (or carbon) aerogels whose electrical, mechanical, and other properties are superior to those of the metal alkoxides. By tailoring properties to specific applications, we hope to achieve aerogels with even better performance. We have already tested carbon aerogels for use in inertial-confinement fusion targets and are currently studying applications to other technologies, such as battery electrodes, catalyst supports, and gas filters. In several of these applications, the permeability of the carbon aerogels-that is, their resistance to fluid flow-is crucial to their performance. Here, we describe briefly the synthesis of organic aerogels and present the results of our permeability studies.

  14. Tailored Marketing for Low-income and Under-Represented Population...

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

    Tailored Marketing for Low-income and Under-Represented Population Segments (201) Tailored Marketing for Low-income and Under-Represented Population Segments (201) Better Buildings ...

  15. Tailored Materials for High Efficiency CIDI Engines

    SciTech Connect (OSTI)

    Grant, G.J.; Jana, S.

    2012-03-30

    The overall goal of the project, Tailored Materials for High Efficiency Compression Ignition Direct Injection (CIDI) Engines, is to enable the implementation of new combustion strategies, such as homogeneous charge compression ignition (HCCI), that have the potential to significantly increase the energy efficiency of current diesel engines and decrease fuel consumption and environmental emissions. These strategies, however, are increasing the demands on conventional engine materials, either from increases in peak cylinder pressure (PCP) or from increases in the temperature of operation. The specific objective of this project is to investigate the application of a new material processing technology, friction stir processing (FSP), to improve the thermal and mechanical properties of engine components. The concept is to modify the surfaces of conventional, low-cost engine materials. The project focused primarily on FSP in aluminum materials that are compositional analogs to the typical piston and head alloys seen in small- to mid-sized CIDI engines. Investigations have been primarily of two types over the duration of this project: (1) FSP of a cast hypoeutectic Al-Si-Mg (A356/357) alloy with no introduction of any new components, and (2) FSP of Al-Cu-Ni alloys (Alloy 339) by physically stirring-in various quantities of carbon nanotubes/nanofibers or carbon fibers. Experimental work to date on aluminum systems has shown significant increases in fatigue lifetime and stress-level performance in aluminum-silicon alloys using friction processing alone, but work to demonstrate the addition of carbon nanotubes and fibers into aluminum substrates has shown mixed results due primarily to the difficulty in achieving porosity-free, homogeneous distributions of the particulate. A limited effort to understand the effects of FSP on steel materials was also undertaken during the course of this project. Processed regions were created in high-strength, low-alloyed steels up to 0.5 in

  16. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Wednesday, 29 November 2006 00:00 Researchers at the ALS have demonstrated a new method to generate tunable, coherent, broadband terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. Interaction of the ALS electron beam with a femtosecond laser pulse as they co-propagate through a wiggler modulates the electron energies within a

  17. Tailored Acicular Mullite Substrates for Multifunctional Diesel Particulate

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

    Filters | Department of Energy Tailored Acicular Mullite Substrates for Multifunctional Diesel Particulate Filters Tailored Acicular Mullite Substrates for Multifunctional Diesel Particulate Filters SEM analysis showed that ACM DPF can be coated with relatively high catalyst washcoat without significantly affecting the porosity or pore size Therefore, it maintains a low back pressure performance at very high catalyst deer09_malanga.pdf (2.36 MB) More Documents & Publications Future

  18. Tailored Materials for High Efficiency CIDI Engines (Caterpillar CRADA) |

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

    Department of Energy 09 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. pm_08_grant.pdf (1.25 MB) More Documents & Publications Tailored Materials for Advanced CIDI Engines

  19. Recent progress in tailoring trap-based positron beams

    SciTech Connect (OSTI)

    Natisin, M. R.; Hurst, N. C.; Danielson, J. R.; Surko, C. M.

    2013-03-19

    Recent progress is described to implement two approaches to specially tailor trap-based positron beams. Experiments and simulations are presented to understand the limits on the energy spread and pulse duration of positron beams extracted from a Penning-Malmberg (PM) trap after the particles have been buffer-gas cooled (or heated) in the range of temperatures 1000 {>=} T {>=} 300 K. These simulations are also used to predict beam performance for cryogenically cooled positrons. Experiments and simulations are also presented to understand the properties of beams formed when plasmas are tailored in a PM trap in a 5 tesla magnetic field, then non-adiabatically extracted from the field using a specially designed high-permeability grid to create a new class of electrostatically guided beams.

  20. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Researchers at the ALS have demonstrated a new method to generate tunable, coherent, broadband terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. Interaction of the ALS electron beam with a femtosecond laser pulse as they co-propagate through a wiggler modulates the electron energies within a short slice of the electron bunch with about the same duration as the laser pulse. This causes a

  1. Tailorable infrared sensing device with strain layer superlattice structure

    DOE Patents [OSTI]

    Cheng, Li-Jen

    1987-12-08

    An infrared photodetector is formed of a heavily doped p-type Ge.sub.x Si.sub.1-x /Si superlattice in which x is pre-established during manufacture in the range 0 to 100 percent. A custom tailored photodetector that can differentiate among close wavelengths in the range of 2.7 to 50 microns is fabricated by appropriate selection of the alloy constituency value, x, to establish a specific wavelength at which photodetection cut-off will occur.

  2. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Researchers at the ALS have demonstrated a new method to generate tunable, coherent, broadband terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. Interaction of the ALS electron beam with a femtosecond laser pulse as they co-propagate through a wiggler modulates the electron energies within a short slice of the electron bunch with about the same duration as the laser pulse. This causes a

  3. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Researchers at the ALS have demonstrated a new method to generate tunable, coherent, broadband terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. Interaction of the ALS electron beam with a femtosecond laser pulse as they co-propagate through a wiggler modulates the electron energies within a short slice of the electron bunch with about the same duration as the laser pulse. This causes a

  4. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    Tailored Terahertz Pulses from a Laser-Modulated Electron Beam Print Researchers at the ALS have demonstrated a new method to generate tunable, coherent, broadband terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. Interaction of the ALS electron beam with a femtosecond laser pulse as they co-propagate through a wiggler modulates the electron energies within a short slice of the electron bunch with about the same duration as the laser pulse. This causes a

  5. High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks

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

    Merit Review High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded Blanks YURI HOVANSKI This Presentation does not contain any proprietary, confidential, or otherwise restricted information Project ID #LM075 Pacific Northwest National Laboratory June 18, 2014 Project Overview OEM GM Tier I Supplier TWB Company LLC Material Provider Alcoa 2 2 Start: FY2012 Finish: FY2014 85% complete Capacity to rapidly join Al sheet in dissimilar thicknesses and alloys is not developed. Supply chain

  6. Modeling non-equilibrium phase transitions in isentropically...

    Office of Scientific and Technical Information (OSTI)

    In the experiments, the Bi samples are attached to windows of LiF or sapphire, and the velocity history of the sample-window interface is recorded with line VISAR. The 1D response ...

  7. Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having...

    Office of Scientific and Technical Information (OSTI)

    of Plasmas having Complex, Evolving Morphology Citation Details In-Document Search ... Country of Publication: United States Language: English Subject: 70 PLASMA PHYSICS AND ...

  8. Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having...

    Office of Scientific and Technical Information (OSTI)

    has been doing lab experiments where plasmas having morphology and behavior similar to solar and astrophysical plasmas are produced and studied. The solar experiment is mounted on...

  9. Non-equilibrium electronic and phononic specific heat in systems...

    Office of Scientific and Technical Information (OSTI)

    DOE Contract Number: AC04-94AL85000 Resource Type: Journal Article Resource Relation: Journal Name: Applied Physics Letters; Related Information: Proposed for publication in ...

  10. Fe Atomic Data for Non-equilibrium Ionization Plasmas (Conference...

    Office of Scientific and Technical Information (OSTI)

    1 ; Hungerford, Aimee L. 1 ; Fryer, Christopher L. 1 ; Hughes, John P. 2 ; Smith, Randall K. 3 ; Badenes, Carles 4 + Show Author Affiliations Los Alamos National ...

  11. Fe Atomic Data for Non-equilibrium Ionization Plasmas (Conference...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Conference: AtomDB Work Week and Workshop ; 2012-08-06 - 2012-08-10 ; Cambridge, Massachusetts, United States Research Org: Los Alamos National Laboratory (LANL) ...

  12. Non-Equilibrium Pathways during Electrochemical Phase Transformations...

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

    Friday, February 27, 2015 The energy density of current batteries is limited by the practical capacity of the positive electrode, which is the determined by the properties of the ...

  13. Modeling non-equilibrium phase transitions in isentropically...

    Office of Scientific and Technical Information (OSTI)

    The pressure drive is deduced by back integration of VISAR data from shots performed with Al samples. Authors: Kane, J ; Smith, R Publication Date: 2005-09-19 OSTI Identifier: ...

  14. Non-equilibrium chemical partitioning calculation for phase transforma...

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

    and time dependent phase selection. The calculation programs were developed in C++ and fortran. In this program, we will integrate the existing calculation programs. Research area:...

  15. Forty years of molecular electronics: Non-equilibrium heat and...

    Office of Scientific and Technical Information (OSTI)

    Volume: 250; Related Information: CBES partners with Northwestern University (lead); Harvard University; New York University; Pennsylvania State University; University of...

  16. Transport properties of non-equilibrium metallic alloys

    SciTech Connect (OSTI)

    Wong, K.M.M.

    1987-01-01

    A systematic and quantitative study of upper critical fields, H/sub C2/(T), in disordered bulk alloys with increasing atomic numbers was carried out. They include alloys of Ti-Mo, Ti-Pd, Zr-Mo, Zr-Pd, Zr-Rh, Hf-Mo, and Hf-Ta. A least-squares fitting routine was performed on H/sub C2/(T) with the Werthamer, Helfand, Hohenberg, and Maki theory of dirty superconductors. The localization effects on H/sub C2/(T) were examined by comparing the electronic density of states obtained from specific heat measurements (absence of field-induced delocalization effects) and those derived from fitting critical field data. Measurements on bulk Zr-Ni, Zr-Rh and Hf-Mo alloys gave the first direct confirmation of theoretical predictions on H/sub C2/(T) for the weakly localized 3D systems. To further test the localization theories, magnetoresistance was measured on amorphous Lu-Pd and Lu-Ni alloys. The author also investigated a wide compositional range of U-Fe, U-Co, and U-Ni metallic glasses which contain f-electrons. These uranium glasses exhibit unusual resistivity and superconducting behaviors and have very large upper-critical-field gradients.

  17. Equilibrium and non-equilibrium emission of complex fragments

    SciTech Connect (OSTI)

    Bowman, D.R.

    1989-08-01

    Complex fragment emission (Z{gt}2) has been studied in the reactions of 50, 80, and 100 MeV/u {sup 139}La + {sup 12}C, and 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au. Charge, angle, and energy distributions were measured inclusively and in coincidence with other complex fragments, and were used to extract the source rapidities, velocity distributions, and cross sections. The experimental emission velocity distributions, charge loss distributions, and cross sections have been compared with calculations based on statistical compound nucleus decay. The binary signature of the coincidence events and the sharpness of the velocity distributions illustrate the primarily 2-body nature of the {sup 139}La + {sup 12}C reaction mechanism between 50 and 100 MeV/u. The emission velocities, angular distributions, and absolute cross sections of fragments of 20{le}Z{le}35 at 50 MeV/u, 19{le}Z{le}28 at 80 MeV/u, and 17{le}Z{le}21 at 100 MeV/u indicate that these fragments arise solely from the binary decay of compound nuclei formed in incomplete fusion reactions in which the {sup 139}La projectile picks up about one-half of the {sup 12}C target. In the 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au reactions, the disappearance of the binary signature in the total charge and velocity distributions suggests and increase in the complex fragment and light charged particle multiplicity with increasing target mass. As in the 80 and 100 MeV/u {sup 139}La + {sup 12}C reactions, the lighter complex fragments exhibit anisotropic angular distributions and cross sections that are too large to be explained exclusively by statistical emission. 143 refs., 67 figs.

  18. Vehicle Technologies Office Merit Review 2014: Active, Tailorable Adhesives for Dissimilar Material Bonding, Repair and Assembly

    Broader source: Energy.gov [DOE]

    Presentation given by Michigan State University at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about Active, tailorable...

  19. Vehicle Technologies Office Merit Review 2015: Active, Tailorable Adhesives for Dissimilar Material Bonding, Repair and Assembly

    Broader source: Energy.gov [DOE]

    Presentation given by Michigan State University at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about active, tailorable...

  20. Tailored Marketing for Low-income and Under-Represented Population Segments (201)

    Broader source: Energy.gov [DOE]

    Better Buildings Residential Network Peer Exchange Call Series: Tailored Marketing for Low-Income and Under-Represented Population Segments (201), call slides and discussion summary.

  1. Model for the Fabrication of Tailored Materials for Lithium-Ion...

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

    Model for the Fabrication of Tailored Materials for Lithium-Ion Batteries Technology available for licensing: Safe, stable and high-capacity cathodes for lithium-ion batteries ...

  2. Tailoring the slow light behavior in terahertz metasurfaces

    SciTech Connect (OSTI)

    Manjappa, Manukumara; Cong, Longqing; Singh, Ranjan; Chiam, Sher-Yi; Bettiol, Andrew A.; Zhang, Weili

    2015-05-04

    We experimentally study the effect of near field coupling on the transmission of light in terahertz metasurfaces. Our results show that tailoring the coupling between the resonators modulates the amplitude of resulting electromagnetically induced transmission, probed under different types of asymmetries in the coupled system. Observed change in the transmission amplitude is attributed to the change in the amount of destructive interference between the resonators in the vicinity of strong near field coupling. We employ a two-particle model to theoretically study the influence of the coupling between bright and quasi-dark modes on the transmission properties of the system and we find an excellent agreement with our observed results. Adding to the enhanced transmission characteristics, our results provide a deeper insight into the metamaterial analogues of atomic electromagnetically induced transparency and offer an approach to engineer slow light devices, broadband filters, and attenuators at terahertz frequencies.

  3. Tailoring dielectric properties of ferroelectric-dielectric multilayers

    SciTech Connect (OSTI)

    Kesim, M. T.; Zhang, J.; Cole, M. W.; Misirlioglu, I. B.

    2014-01-13

    We develop a nonlinear thermodynamic model for multilayer ferroelectric heterostructures that takes into account electrostatic and electromechanical interactions between layers. We concentrate on the effect of relative layer fractions and in-plane thermal stresses on dielectric properties of Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3}-, BaTiO{sub 3}-, and PbZr{sub 0.2}Ti{sub 0.8}O{sub 3} (PZT)-SrTiO{sub 3} (STO) multilayers on Si and c-sapphire. We show that dielectric properties of such multilayers can be significantly enhanced by tailoring the growth/processing temperature and the STO layer fraction. Our computations show that large tunabilities (?90% at 400?kV/cm) are possible in carefully designed barium strontium titanate-STO and PZT-STO even on Si for which there exist substantially large in-plane strains.

  4. High gain photoconductive semiconductor switch having tailored doping profile zones

    DOE Patents [OSTI]

    Baca, Albert G.; Loubriel, Guillermo M.; Mar, Alan; Zutavern, Fred J; Hjalmarson, Harold P.; Allerman, Andrew A.; Zipperian, Thomas E.; O'Malley, Martin W.; Helgeson, Wesley D.; Denison, Gary J.; Brown, Darwin J.; Sullivan, Charles T.; Hou, Hong Q.

    2001-01-01

    A photoconductive semiconductor switch with tailored doping profile zones beneath and extending laterally from the electrical contacts to the device. The zones are of sufficient depth and lateral extent to isolate the contacts from damage caused by the high current filaments that are created in the device when it is turned on. The zones may be formed by etching depressions into the substrate, then conducting epitaxial regrowth in the depressions with material of the desired doping profile. They may be formed by surface epitaxy. They may also be formed by deep diffusion processes. The zones act to reduce the energy density at the contacts by suppressing collective impact ionization and formation of filaments near the contact and by reducing current intensity at the contact through enhanced current spreading within the zones.

  5. Chemical tailoring of steam to remediate underground mixed waste contaminents

    DOE Patents [OSTI]

    Aines, Roger D.; Udell, Kent S.; Bruton, Carol J.; Carrigan, Charles R.

    1999-01-01

    A method to simultaneously remediate mixed-waste underground contamination, such as organic liquids, metals, and radionuclides involves chemical tailoring of steam for underground injection. Gases or chemicals are injected into a high pressure steam flow being injected via one or more injection wells to contaminated soil located beyond a depth where excavation is possible. The injection of the steam with gases or chemicals mobilizes contaminants, such as metals and organics, as the steam pushes the waste through the ground toward an extraction well having subatmospheric pressure (vacuum). The steam and mobilized contaminants are drawn in a substantially horizontal direction to the extraction well and withdrawn to a treatment point above ground. The heat and boiling action of the front of the steam flow enhance the mobilizing effects of the chemical or gas additives. The method may also be utilized for immobilization of metals by using an additive in the steam which causes precipitation of the metals into clusters large enough to limit their future migration, while removing any organic contaminants.

  6. Tailoring dielectric resonator geometries for directional scattering and Huygens metasurfaces

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

    Campione, Salvatore; Basilio, Lorena I.; Warne, Larry K.; Sinclair, Michael B.

    2015-01-28

    In this paper we describe a methodology for tailoring the design of metamaterial dielectric resonators, which represent a promising path toward low-loss metamaterials at optical frequencies. We first describe a procedure to decompose the far field scattered by subwavelength resonators in terms of multipolar field components, providing explicit expressions for the multipolar far fields. We apply this formulation to confirm that an isolated high-permittivity dielectric cube resonator possesses frequency separated electric and magnetic dipole resonances, as well as a magnetic quadrupole resonance in close proximity to the electric dipole resonance. We then introduce multiple dielectric gaps to the resonator geometrymorein a manner suggested by perturbation theory, and demonstrate the ability to overlap the electric and magnetic dipole resonances, thereby enabling directional scattering by satisfying the first Kerker condition. We further demonstrate the ability to push the quadrupole resonance away from the degenerate dipole resonances to achieve local behavior. These properties are confirmed through the multipolar expansion and show that the use of geometries suggested by perturbation theory is a viable route to achieve purely dipole resonances for metamaterial applications such as wave-front manipulation with Huygens metasurfaces. Our results are fully scalable across any frequency bands where high-permittivity dielectric materials are available, including microwave, THz, and infrared frequencies.less

  7. EXC-12-0007- In the Matter of Tailored Lighting, Inc.

    Broader source: Energy.gov [DOE]

    On October 23, 2012, OHA issued a decision considering an Application for Exception filed by Tailored Lighting, Inc. (TLI) for relief from the provisions of 10 C.F.R. Part 430, Energy Conservation...

  8. Multiple soliton self-frequency shift cancellations in a temporally tailored photonic crystal fiber

    SciTech Connect (OSTI)

    Liu, Lai; Kang, Zhe; Li, Qing; Gao, Xuejian; Qin, Guanshi E-mail: wpqin@jlu.edu.cn; Qin, Weiping E-mail: wpqin@jlu.edu.cn; Liao, Meisong; Hu, Lili; Ohishi, Yasutake

    2014-11-03

    We report the generation of multiple soliton self-frequency shift cancellations in a temporally tailored tellurite photonic crystal fiber (PCF). The temporally regulated group velocity dispersion (GVD) is generated in the fiber by soliton induced optical Kerr effect. Two red-shifted dispersive waves spring up when two Raman solitons meet their own second zero-dispersion-wavelengths in the PCF. These results show how, through temporally tailored GVD, nonlinearities can be harnessed to generate unexpected effects.

  9. Tailoring double Fano profiles with plasmon-assisted quantum interference in hybrid exciton-plasmon system

    SciTech Connect (OSTI)

    Zhao, Dongxing; Wu, Jiarui; Gu, Ying Gong, Qihuang

    2014-09-15

    We propose tailoring of the double Fano profiles via plasmon-assisted quantum interference in a hybrid exciton-plasmon system. Tailoring is performed by the interference between two exciton channels interacting with a common localized surface plasmon. Using an applied field of low intensity, the absorption spectrum of the hybrid system reveals a double Fano lineshape with four peaks. For relatively large field intensity, a broad flat window in the absorption spectrum appears which results from the destructive interference between excitons. Because of strong constructive interference, this window vanishes as intensity is further increased. We have designed a nanometer bandpass optical filter for visible light based on tailoring of the optical spectrum. This study provides a platform for quantum interference that may have potential applications in ultracompact tunable quantum devices.

  10. Comparing Laser Welding Technologies with Friction Stir Welding for Production of Aluminum Tailor-Welded Blanks

    SciTech Connect (OSTI)

    Hovanski, Yuri; Carsley, John; Carlson, Blair; Hartfield-Wunsch, Susan; Pilli, Siva Prasad

    2014-01-15

    A comparison of welding techniques was performed to determine the most effective method for producing aluminum tailor-welded blanks for high volume automotive applications. Aluminum sheet was joined with an emphasis on post weld formability, surface quality and weld speed. Comparative results from several laser based welding techniques along with friction stir welding are presented. The results of this study demonstrate a quantitative comparison of weld methodologies in preparing tailor-welded aluminum stampings for high volume production in the automotive industry. Evaluation of nearly a dozen welding variations ultimately led to down selecting a single process based on post-weld quality and performance.

  11. Computational Nanophotonics: Model Optical Interactions and Transport in Tailored Nanosystem Architectures

    SciTech Connect (OSTI)

    Stockman, Mark; Gray, Steven

    2014-02-21

    The program is directed toward development of new computational approaches to photoprocesses in nanostructures whose geometry and composition are tailored to obtain desirable optical responses. The emphasis of this specific program is on the development of computational methods and prediction and computational theory of new phenomena of optical energy transfer and transformation on the extreme nanoscale (down to a few nanometers).

  12. Anthraquinone with Tailored Structure for Nonaqueous Metal-Organic Redox Flow Battery

    SciTech Connect (OSTI)

    Wang, Wei; Xu, Wu; Cosimbescu, Lelia; Choi, Daiwon; Li, Liyu; Yang, Zhenguo

    2012-06-08

    A nonaqueous, hybrid metal-organic redox flow battery based on tailored anthraquinone structure is demonstrated to have an energy efficiency of {approx}82% and a specific discharge energy density similar to aqueous redox flow batteries, which is due to the significantly improved solubility of anthraquinone in supporting electrolytes.

  13. Material system for tailorable white light emission and method for making thereof

    DOE Patents [OSTI]

    Smith, Christine A.; Lee, Howard W.

    2004-08-10

    A method of processing a composite material to tailor white light emission of the resulting composite during excitation. The composite material is irradiated with a predetermined power and for a predetermined time period to reduce the size of a plurality of nanocrystals and the number of a plurality of traps in the composite material. By this irradiation process, blue light contribution from the nanocrystals to the white light emission is intensified and red and green light contributions from the traps are decreased.

  14. Material system for tailorable white light emission and method for making thereof

    DOE Patents [OSTI]

    Smith, Christine A.; Lee, Howard W. H.

    2009-05-19

    A method of processing a composite material to tailor white light emission of the resulting composite during excitation. The composite material is irradiated with a predetermined power and for a predetermined time period to reduce the size of a plurality of nanocrystals and the number of a plurality of traps in the composite material. By this irradiation process, blue light contribution from the nanocrystals to the white light emission is intensified and red and green light contributions from the traps are decreased.

  15. Formation of electron bunches with tailored current profiles using multi-frequency linacs

    SciTech Connect (OSTI)

    Piot, P.; Behrens, C.; Gerth, C.; Lemery, F.; Mihalcea, D.; Stoltz, P.

    2012-12-21

    Tailoring an electron bunch with specific current profile can provide substantial enhancement of the transformer ratio in beam-driven acceleration methods. We present a method relying on the use of a linac with accelerating sections operating at different frequencies followed by a magnetic bunch compressor. The experimental verfification of the technique in a two-frequency linac is presented. The compatibility of the proposed technique with the formation and acceleration of a drive and witness bunches is numerically demonstrated.

  16. Ligand-tailored single-site silica supported titanium catalysts: Synthesis, characterization and towards cyanosilylation reaction

    SciTech Connect (OSTI)

    Xu, Wei; Li, Yani; Yu, Bo; Yang, Jindou; Zhang, Ying; Chen, Xi; Zhang, Guofang Gao, Ziwei

    2015-01-15

    A successive anchoring of Ti(NMe{sub 2}){sub 4}, cyclopentadiene and a O-donor ligand, 1-hydroxyethylbenzene (PEA), 1,1′-bi-2-naphthol (Binol) or 2,3-dihydroxybutanedioic acid diethyl ester (Tartrate), on silica was conducted by SOMC strategy in moderate conditions. The silica, monitored by in-situ Fourier transform infrared spectroscopy (in-situ FT-IR), was pretreated at different temperatures (200, 500 and 800 °C). The ligand tailored silica-supported titanium complexes were characterized by in-situ FT-IR, {sup 13}C CP MAS-NMR, X-ray photoelectron spectroscopy (XPS), X-ray absorption near edge structure (XANES) and elemental analysis in detail, verifying that the surface titanium species are single sited. The catalytic activity of the ligand tailored single-site silica supported titanium complexes was evaluated by a cyanosilylation of benzaldehyde. The results showed that the catalytic activity is dependent strongly on the dehydroxylation temperatures of silica and the configuration of the ligands. - Graphical abstract: The ligand-tailored silica supported “single site” titanium complexes were synthesized by SOMC strategy and fully characterized. Their catalytic activity were evaluated by benzaldehyde silylcyanation. - Highlights: • Single-site silica supported Ti active species was prepared by SOMC technique. • O-donor ligand tailored Ti surface species was synthesized. • The surface species was characterized by XPS, {sup 13}C CP-MAS NMR, XANES etc. • Catalytic activity of the Ti active species in silylcyanation reaction was evaluated.

  17. Synthetic Biology for Tailored Enzyme Cocktails Presentation for BETO 2015 Project Peer Review

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

    March 2015 SynTec Synthetic Biology for Tailored Enzyme Cocktails DOE Bioenergy Technologies Office (BETO) 2015 Project Peer Review Biochemical Conversion Sarah Teter Novozymes, Inc This presentation does not contain any proprietary, confidential, or otherwise restricted information NOVOZYMES PRESENTATION 26 Mar 2015 2 ACCELERATE INNOVATION IN ENZYME DISCOVERY REDUCE COSTS FOR PRODUCING CELLULOSIC SUGARS  Deliver a screening platform which can be used to reduce discovery time required for

  18. Evaluation of Aeroelastically Tailored Small Wind Turbine Blades Final Project Report

    SciTech Connect (OSTI)

    Griffin, Dayton A.

    2005-09-29

    Evaluation of Aeroelastically Tailored Small Wind Turbine Blades Final Report Global Energy Concepts, LLC (GEC) has performed a conceptual design study concerning aeroelastic tailoring of small wind turbine blades. The primary objectives were to evaluate ways that blade/rotor geometry could be used to enable cost-of-energy reductions by enhancing energy capture while constraining or mitigating blade costs, system loads, and related component costs. This work builds on insights developed in ongoing adaptive-blade programs but with a focus on application to small turbine systems with isotropic blade material properties and with combined blade sweep and pre-bending/pre-curving to achieve the desired twist coupling. Specific goals of this project are to: (A) Evaluate and quantify the extent to which rotor geometry can be used to realize load-mitigating small wind turbine rotors. Primary aspects of the load mitigation are: (1) Improved overspeed safety affected by blades twisting toward stall in response to speed increases. (2) Reduced fatigue loading affected by blade twisting toward feather in response to turbulent gusts. (B) Illustrate trade-offs and design sensitivities for this concept. (C) Provide the technical basis for small wind turbine manufacturers to evaluate this concept and commercialize if the technology appears favorable. The SolidWorks code was used to rapidly develop solid models of blade with varying shapes and material properties. Finite element analyses (FEA) were performed using the COSMOS code modeling with tip-loads and centripetal accelerations. This tool set was used to investigate the potential for aeroelastic tailoring with combined planform sweep and pre-curve. An extensive matrix of design variables was investigated, including aerodynamic design, magnitude and shape of planform sweep, magnitude and shape of blade pre-curve, material stiffness, and rotor diameter. The FEA simulations resulted in substantial insights into the structural

  19. Observables can be tailored to change the entanglement of any pure state

    SciTech Connect (OSTI)

    Harshman, N. L.; Ranade, Kedar S.

    2011-07-15

    We show that, for a finite-dimensional Hilbert space, there exist observables that induce a tensor product structure such that the entanglement properties of any pure state can be tailored. In particular, we provide an explicit, finite method for constructing observables in an unstructured d-dimensional system so that an arbitrary known pure state has any Schmidt decomposition with respect to an induced bipartite tensor product structure. In effect, this article demonstrates that, in a finite-dimensional Hilbert space, entanglement properties can always be shifted from the state to the observables and all pure states are equivalent as entanglement resources in the ideal case of complete control of observables.

  20. Computational model, method, and system for kinetically-tailoring multi-drug chemotherapy for individuals

    DOE Patents [OSTI]

    Gardner, Shea Nicole

    2007-10-23

    A method and system for tailoring treatment regimens to individual patients with diseased cells exhibiting evolution of resistance to such treatments. A mathematical model is provided which models rates of population change of proliferating and quiescent diseased cells using cell kinetics and evolution of resistance of the diseased cells, and pharmacokinetic and pharmacodynamic models. Cell kinetic parameters are obtained from an individual patient and applied to the mathematical model to solve for a plurality of treatment regimens, each having a quantitative efficacy value associated therewith. A treatment regimen may then be selected from the plurlaity of treatment options based on the efficacy value.

  1. Microscopic analysis of non-equilibrium dynamics in the semiconductor-laser gain medium

    SciTech Connect (OSTI)

    Hader, J.; Moloney, J. V.; Koch, S. W.

    2014-04-14

    Fully microscopic many-body calculations are used to analyze the carrier dynamics in situations where a strong sub-picosecond pulse interacts with an inverted semiconductor quantum well. Electron-electron and electron-phonon scatterings are calculated on a second Born-Markov level. Intra-subband scatterings on a scale of tens of femtoseconds are shown to quickly re-fill the kinetic holes created in the carrier distributions during the pulse amplification. Even for sub-100 fs pulses, this significantly influences the pulse amplification as well as its spectral dependence. Interband scatterings on a few picosecond timescale limit the possibly achievable repetition rate in pulsed semiconductor lasers.

  2. Risk Assessment and Monitoring of Stored CO2 in Organic Rocks Under Non-Equilibrium Conditions

    SciTech Connect (OSTI)

    Malhotra, Vivak

    2014-06-30

    The USA is embarking upon tackling the serious environmental challenges posed to the world by greenhouse gases, especially carbon dioxide (CO2). The dimension of the problem is daunting. In fact, according to the Energy Information Agency, nearly 6 billion metric tons of CO2 were produced in the USA in 2007 with coal-burning power plants contributing about 2 billion metric tons. To mitigate the concerns associated with CO2 emission, geological sequestration holds promise. Among the potential geological storage sites, unmineable coal seams and shale formations in particular show promise because of the probability of methane recovery while sequestering the CO2. However. the success of large-scale sequestration of CO2 in coal and shale would hinge on a thorough understanding of CO2's interactions with host reservoirs. An important parameter for successful storage of CO2 reservoirs would be whether the pressurized CO2 would remain invariant in coal and shale formations under reasonable internal and/or external perturbations. Recent research has brought to the fore the potential of induced seismicity, which may result in caprock compromise. Therefore, to evaluate the potential risks involved in sequestering CO2 in Illinois bituminous coal seams and shale, we studied: (i) the mechanical behavior of Murphysboro (Illinois) and Houchin Creek (Illinois) coals, (ii) thermodynamic behavior of Illinois bituminous coal at - 100oC ≤ T ≤ 300oC, (iii) how high pressure CO2 (up to 20.7 MPa) modifies the viscosity of the host, (iv) the rate of emission of CO2 from Illinois bituminous coal and shale cores if the cores, which were pressurized with high pressure (≤ 20.7 MPa) CO2, were exposed to an atmospheric pressure, simulating the development of leakage pathways, (v) whether there are any fractions of CO2 stored in these hosts which are resistance to emission by simply exposing the cores to atmospheric pressure, and (vi) how compressive shockwaves applied to the coal and shale cores, which were pressurized with high pressure CO2, determine the fate of sequestered CO2 in these cores. Our results suggested that Illinois bituminous coal in its unperturbed state, i.e., when not pressurized with CO2, showed large variations in the mechanical properties. Modulus varied from 0.7 GPa to 3.4 GPa even though samples were extracted from a single large chunk of coal. We did not observe any glass transition for Illinois bituminous coal at - 100oC ≤ T ≤ 300oC, however, when the coal was pressurized with CO2 at ambient ≤ P ≤ 20.7 MPa, the viscosity of the coal decreased and inversely scaled with the CO2 pressure. The decrease in viscosity as a function of pressure could pose CO2 injection problems for coal as lower viscosity would allow the solid coal to flow to plug the fractures, fissures, and cleats. Our experiments also showed a very small fraction of CO2 was absorbed in coal; and when CO2 pressurized coals were exposed to atmospheric conditions, the loss of CO2 from coals was massive. Half of the sequestered gas from the coal cores was lost in less than 20 minutes. Our shockwave experiments on Illinois bituminous coal, New Albany shale (Illinois), Devonian shale (Ohio), and Utica shale (Ohio) presented clear evidence that the significant emission of the sequestered CO2 from these formations cannot be discounted during seismic activity, especially if caprock is compromised. It is argued that additional shockwave studies, both compressive and transverse, would be required for successfully mapping the risks associated with sequestering high pressure CO2 in coal and shale formations.

  3. Non-equilibrium dynamics in disordered materials: Ab initio molecular dynamics simulations

    SciTech Connect (OSTI)

    Ohmura, Satoshi; Nagaya, Kiyonobu; Yao, Makoto; Shimojo, Fuyuki

    2015-08-17

    The dynamic properties of liquid B{sub 2}O{sub 3} under pressure and highly-charged bromophenol molecule are studied by using molecular dynamics (MD) simulations based on density functional theory (DFT). Diffusion properties of covalent liquids under high pressure are very interesting in the sense that they show unexpected pressure dependence. It is found from our simulation that the magnitude relation of diffusion coefficients for boron and oxygen in liquid B{sub 2}O{sub 3} shows the anomalous pressure dependence. The simulation clarified the microscopic origin of the anomalous diffusion properties. Our simulation also reveals the dissociation mechanism in the coulomb explosion of the highly-charged bromophenol molecule. When the charge state n is 6, hydrogen atom in the hydroxyl group dissociates at times shorter than 20 fs while all hydrogen atoms dissociate when n is 8. After the hydrogen dissociation, the carbon ring breaks at about 100 fs. There is also a difference on the mechanism of the ring breaking depending on charge states, in which the ring breaks with expanding (n = 6) or shrink (n = 8)

  4. Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining

    SciTech Connect (OSTI)

    Leonard, T.; Lander, B.; Seifert, U.; Speck, T.

    2013-11-28

    We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example, simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski relation connecting work with the change of free energy holds if the time evolution of the density follows the Kawasaki-Dean equation. Specifically, we study the work distributions for the compression and expansion of a two-dimensional colloidal model suspension implementing a practical coarse-graining scheme of the microscopic particle positions. We demonstrate that even if coarse-grained dynamics and density functional do not match, the fluctuation relations for the work still hold albeit for a different, apparent, change of free energy.

  5. Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having Complex, Evolving Morphology

    SciTech Connect (OSTI)

    Bellan, Paul M.

    2014-03-13

    Our main activity has been doing lab experiments where plasmas having morphology and behavior similar to solar and astrophysical plasmas are produced and studied. The solar experiment is mounted on one end of a large vacuum chamber while the astrophysical jet experiment is mounted on the other end. Diagnostics are shared between the two experiments. The solar experiment produces arched plasma loops that behave very much like solar corona loops. The astrophysical jet experiment produces plasma jets that are very much like astrophysical jets. We have also done work on plasma waves, including general wave dispersions, and specific properties of kinetic Alfven waves and of whistler waves.

  6. The behavior of matter under non-equilibrium conditions: Fundamental aspects and applications

    SciTech Connect (OSTI)

    Prigogine, I.

    1992-04-01

    This report briefly discusses concepts of chaotic systems. The topics discusses are: Bernoulli maps; mathematical aspects of the complex spectral representations; and large poincare systems. (LSP)

  7. Non-Equilibrium Superconductivity and Quasiparticle Dynamics in YBaCuO

    SciTech Connect (OSTI)

    Siders, J.L.W.; Jacobs, R.N.; Siders, C.W.; Trugman, S.A.; Taylor, A.J.

    1999-05-21

    The authors use optical pump, coherent terahertz probe spectroscopy to transiently excite nonequilibrium populations of quasiparticles in YBa{sub 2}Cu{sub 3}O{sub 7.{delta}} and monitor, with picosecond resolution, the superfluid and quasiparticle dynamics.

  8. Non-equilibrium atmospheric pressure microplasma jet: An approach to endoscopic therapies

    SciTech Connect (OSTI)

    Zuo, Xiao; Wei, Yu; Wei Chen, Long; Dong Meng, Yue; Collaboration: Plasma Medicine Team

    2013-08-15

    Atmospheric pressure microplasma jet generated in a long hollow core optical fiber is studied to verify the potential feasibility of endoscopic therapies. Thermal damage and electric shock to the human body were suppressed by two technical methods, i.e., the high-voltage resistant flexible tube wrapped on the optical fiber and a power resistor of 100 k? connected between the power supply and the copper foil electrode. Optical emission spectra analysis indicated that many kinds of active radicals like excited atomic O and OH, were generated in the microplasma jet. In addition, the applications of the microplasma jet on sterilization and lung cancer cell apoptosis were presented. After 5 min of exposures to the microplasma jet, the cell viability and the bacillus subtilis replication decreased to about 3% and zero, respectively. More investigations are needed to improve the plasma-aided endoscopic therapies.

  9. NON-EQUILIBRIUM DYNAMICS OF MANY-BODY QUANTUM SYSTEMS: FUNDAMENTALS AND NEW FRONTIER

    SciTech Connect (OSTI)

    DeMille, David; LeHur, Karyn

    2013-11-27

    Rapid progress in nanotechnology and naofabrication techniques has ushered in a new era of quantum transport experiments. This has in turn heightened the interest in theoretical understanding of nonequilibrium dynamics of strongly correlated quantum systems. This project has advanced the frontiers of understanding in this area along several fronts. For example, we showed that under certain conditions, quantum impurities out of equilibrium can be reformulated in terms of an effective equilibrium theory; this makes it possible to use the gamut of tools available for quantum systems in equilibrium. On a different front, we demonstrated that the elastic power of a transmitted microwave photon in circuit QED systems can exhibit a many-body Kondo resonance. We also showed that under many circumstances, bipartite fluctuations of particle number provide an effective tool for studying many-body physics—particularly the entanglement properties of a many-body system. This implies that it should be possible to measure many-body entanglement in relatively simple and tractable quantum systems. In addition, we studied charge relaxation in quantum RC circuits with a large number of conducting channels, and elucidated its relation to Kondo models in various regimes. We also extended our earlier work on the dynamics of driven and dissipative quantum spin-boson impurity systems, deriving a new formalism that makes it possible to compute the full spin density matrix and spin-spin correlation functions beyond the weak coupling limit. Finally, we provided a comprehensive analysis of the nonequilibrium transport near a quantum phase transition in the case of a spinless dissipative resonant-level model. This project supported the research of two Ph.D. students and two postdoctoral researchers, whose training will allow them to further advance the field in coming years.

  10. Systematic validation of non-equilibrium thermochemical models using Bayesian inference

    SciTech Connect (OSTI)

    Miki, Kenji; Panesi, Marco; Prudhomme, Serge

    2015-10-01

    The validation process proposed by Babuška et al. [1] is applied to thermochemical models describing post-shock flow conditions. In this validation approach, experimental data is involved only in the calibration of the models, and the decision process is based on quantities of interest (QoIs) predicted on scenarios that are not necessarily amenable experimentally. Moreover, uncertainties present in the experimental data, as well as those resulting from an incomplete physical model description, are propagated to the QoIs. We investigate four commonly used thermochemical models: a one-temperature model (which assumes thermal equilibrium among all inner modes), and two-temperature models developed by Macheret et al. [2], Marrone and Treanor [3], and Park [4]. Up to 16 uncertain parameters are estimated using Bayesian updating based on the latest absolute volumetric radiance data collected at the Electric Arc Shock Tube (EAST) installed inside the NASA Ames Research Center. Following the solution of the inverse problems, the forward problems are solved in order to predict the radiative heat flux, QoI, and examine the validity of these models. Our results show that all four models are invalid, but for different reasons: the one-temperature model simply fails to reproduce the data while the two-temperature models exhibit unacceptably large uncertainties in the QoI predictions.

  11. High-Efficiency Solid State Cooling Technologies: Non-Equilibrium Asymmetic Thermoelectrics (NEAT) Devices

    SciTech Connect (OSTI)

    2010-09-01

    BEETIT Project: Sheetak is developing a thermoelectric-based solid state cooling system to replace typical air conditioners that use vapor compression to cool air. With noisy mechanical components, vapor compression systems use a liquid refrigerant to circulate within the air conditioner, absorb heat, and pump the heat out into the external environment. With no noisy moving parts or polluting refrigerants, thermoelectric systems rely on an electrical current being passed through the junction of the two different conducting materials to change temperature. Using advanced semiconductor technology, Sheetak is improving solid state cooling systems by using proprietary thermoelectric materials along with other innovations to achieve significant energy efficiency. Sheetak’s new design displaces compressor-based technology; improves reliability; and decreases energy usage. Sheetak’s use of semiconductor manufacturing methods leads to less material use—facilitating cheaper production.

  12. Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy

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

    He, Kai; Zhang, Sen; Li, Jing; Yu, Xiqian; Meng, Qingping; Zhu, Yizhou; Hu, Enyuan; Sun, Ke; Yun, Hongseok; Yang, Xiao -Qing; et al

    2016-05-09

    In this study, spinel transition metal oxides are an important class of materials that are being considered as electrodes for lithium-ion batteries, due to their low cost and high theoretical capacity. The lithiation of these compounds is known to undergo a two-step reaction, whereby intercalation and conversion occur in a sequential fashion. These two reactions are known to have distinct reaction dynamics, but it is unclear how the kinetics of these processes affect the overall electrochemical response. Here, we explore the lithiation of nanosized magnetite (Fe3O4) by employing a new strain-sensitive, bright-field scanning transmission electron microscopy approach.

  13. Relationship between population dynamics and the self-energy in driven non-equilibrium systems

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

    Kemper, Alexander F.; Freericks, James K.

    2016-05-13

    We compare the decay rates of excited populations directly calculated within a Keldysh formalism to the equation of motion of the population itself for a Hubbard-Holstein model in two dimensions. While it is true that these two approaches must give the same answer, it is common to make a number of simplifying assumptions, within the differential equation for the populations, that allows one to interpret the decay in terms of hot electrons interacting with a phonon bath. Furthermore, we show how care must be taken to ensure an accurate treatment of the equation of motion for the populations due tomore » the fact that there are identities that require cancellations of terms that naively look like they contribute to the decay rates. In particular, the average time dependence of the Green's functions and self-energies plays a pivotal role in determining these decay rates.« less

  14. A coupled implicit method for chemical non-equilibrium flows at all speeds

    SciTech Connect (OSTI)

    Shuen, J.S.; Choi, Y. ); Chen, K.H. )

    1993-06-01

    A time-accurate, coupled solution procedure is described for the chemical nonequilibrium Navier-Stokes equations over a wide range of Mach numbers. This method employs the strong conservation form of the governing equations, but uses primitive variables (p[sub g], u, v, h, Y[sub i]) as unknowns. Real gas properties and nonequilibrium chemistry are considered. Numerical tests include steady convergent-divergent nozzle flows with air dissociation/recombination chemistry, dump combustor flows with n-pentan air chemistry, and nonreacting unsteady driven cavity flows. Numerical results for both the steady and unsteady flows demonstrate the efficiency and robustness of the present algorithm for Mach numbers ranging from the incompressible limit to supersonic speeds. 26 refs., 10 figs.

  15. Tailoring of unipolar strain in lead-free piezoelectrics using the ceramic/ceramic composite approach

    SciTech Connect (OSTI)

    Khansur, Neamul H.; Daniels, John E.; Groh, Claudia; Jo, Wook; Webber, Kyle G.; Reinhard, Christina; Kimpton, Justin A.

    2014-03-28

    The electric-field-induced strain response mechanism in a polycrystalline ceramic/ceramic composite of relaxor and ferroelectric materials has been studied using in situ high-energy x-ray diffraction. The addition of ferroelectric phase material in the relaxor matrix has produced a system where a small volume fraction behaves independently of the bulk under an applied electric field. Inter- and intra-grain models of the strain mechanism in the composite material consistent with the diffraction data have been proposed. The results show that such ceramic/ceramic composite microstructure has the potential for tailoring properties of future piezoelectric materials over a wider range than is possible in uniform compositions.

  16. Polarization-selective vortex-core switching by tailored orthogonal Gaussian-pulse currents

    SciTech Connect (OSTI)

    Jung, H.; Choi, Y. -S.; Yoo, M. -W.; Im, M. -Y.; Kim, S. -K.

    2010-10-13

    We experimentally demonstrate low-power-consumption vortex-core switching in magnetic nanodisks using tailored rotating magnetic fields produced with orthogonal and unipolar Gaussian-pulse currents. The optimal width of the orthogonal pulses and their time delay are found, from analytical and micromagnetic numerical calculations, to be determined only by the angular eigenfrequency {omega}{sub D} for a given vortex-state disk of polarization p, such that {sigma}=1/{omega}{sub D} and {Delta}t={pi}/2 p/{omega}{sub D} . The estimated optimal pulse parameters are in good agreement with the experimental results. This work lays a foundation for energy-efficient information recording in vortex-core cross-point architecture.

  17. Layer thickness and period as design parameters to tailor pyroelectric properties in ferroelectric superlattices

    SciTech Connect (OSTI)

    Misirlioglu, I. B.; Alpay, S. P.

    2014-10-27

    We theoretically examine the pyroelectric properties of ferroelectric-paraelectric superlattices as a function of layer thickness and configuration using non-linear thermodynamics coupled with electrostatic and electromechanical interactions between layers. We specifically study PbZr{sub 0.3}Ti{sub 0.7}O{sub 3}/SrTiO{sub 3} superlattices. The pyroelectric properties of such constructs consisting of relatively thin repeating units are shown to exceed the pyroelectric response of monolithic PbZr{sub 0.3}Ti{sub 0.7}O{sub 3} films. This is related to periodic internal electric fields generated due to the polarization mismatch between layers that allows tailoring of the shift in the transition temperature. Our results indicate that higher and electric field sensitive pyroresponse can be achieved from layer-by-layer engineered ferroelectric heterostructures.

  18. Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study

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

    Khan, Muhammad Ejaz; Zhang, P.; Sun, Yi -Yang; Zhang, S. B.; Kim, Yong -Hyun

    2016-03-30

    In this study, we discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp2/sp3 configurations (z211) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp2 hydrogen-passivation (z1) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z1 ZTHs exhibit characteristic edge magnetism due to the same-sublattice engineering, semiconducting z211 ZTHs do showmore » characteristic corner magnetism when the size is small < 2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.« less

  19. Tailoring of a metastable material: alfa-FeSi2 thin film

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

    Cao, Guixin; Singh, David J; Zhang, Xiaoguang; Samolyuk, German D; Qiao, Liang; Parish, Chad M; Ke, Jin; Zhang, Yanwen; Guo, Hangwen; Wang, Wenbin; et al

    2015-01-01

    The epitaxially stabilized metallic -FeSi2 thin films on Si(001) were grown using pulsed laser deposition. While the bulk material of -FeSi2 is a high temperature metastable phase and nonmagnetic, the thin film is stabilized at room temperature and shows unusual electronic transport and magnetic properties due to strain modification. The transport renders two different conducting states with a strong crossover at 50 K accompanied by an onset of ferromagnetism as well as a substantial magnetocaloric effect and magnetoresistance. These experimental results are discussed in terms of the unusual electronic structure of -FeSi2 obtained within density functional calculations and Boltzmann transportmore » calculations with and without strain. Our findings provide an example of a tailored material with interesting physics properties for practical applications.« less

  20. Tailoring of a metastable material: alfa-FeSi2 thin film

    SciTech Connect (OSTI)

    Cao, Guixin; Singh, David J; Zhang, Xiaoguang; Samolyuk, German D; Qiao, Liang; Parish, Chad M; Ke, Jin; Zhang, Yanwen; Guo, Hangwen; Tang, Siwei; Wang, Wenbin; Yi, Jieyu; Cantoni, Claudia; Siemons, Wolter; Payzant, E Andrew; Biegalski, Michael D; Ward, Thomas Zac; Sales, Brian C; Mandrus, D.; Stocks, George Malcolm; Gai, Zheng

    2015-01-01

    The epitaxially stabilized metallic -FeSi2 thin films on Si(001) were grown using pulsed laser deposition. While the bulk material of -FeSi2 is a high temperature metastable phase and nonmagnetic, the thin film is stabilized at room temperature and shows unusual electronic transport and magnetic properties due to strain modification. The transport renders two different conducting states with a strong crossover at 50 K accompanied by an onset of ferromagnetism as well as a substantial magnetocaloric effect and magnetoresistance. These experimental results are discussed in terms of the unusual electronic structure of -FeSi2 obtained within density functional calculations and Boltzmann transport calculations with and without strain. Our findings provide an example of a tailored material with interesting physics properties for practical applications.

  1. In situ evaluation of several tailored-pulse well-shooting concepts

    SciTech Connect (OSTI)

    Schmidt, R A; Warpinski, N R; Cooper, P W

    1980-01-01

    This paper describes a series of five full-scale tests performed to evaluate various multi-frac concepts. The tests were conducted at the Nevada Test Site in cased, horizontal boreholes drilled in ash-fall tuff from a tunnel under 430 m of overburden. This site provides both realistic in situ conditions for the tests and access to the stimulated regions by mineback which permits direct observation of results. The five tailored-pulse concepts tested involve: Case A - a decoupled explosive, Case B - a decoupled explosive with propellant booster, Case C - a small-diameter propellant charge with pressurized water pad, Case D - three successive shots of Case C, and Case E - a full-diameter charge of a progressively-burning propellant. Results show a large increase in formation permeability for Case E, modest increases for Cases B, C, and D and a decrease for Case A that appears due to the formation of a stress cage. A comparison of Case E results with previous tests suggests a multiple fracture criterion based on pressure rate with little effect of peak pressures.

  2. Multipole and field uniformity tailoring of a 750 MHz rf dipole

    SciTech Connect (OSTI)

    Delayen, Jean R.; Castillo, Alejandro

    2014-12-01

    In recent years great interest has been shown in developing rf structures for beam separation, correction of geometrical degradation on luminosity, and diagnostic applications in both lepton and hadron machines. The rf dipole being a very promising one among all of them. The rf dipole has been tested and proven to have attractive properties that include high shunt impedance, low and balance surface fields, absence of lower order modes and far-spaced higher order modes that simplify their damping scheme. As well as to be a compact and versatile design in a considerable range of frequencies, its fairly simple geometry dependency is suitable both for fabrication and surface treatment. The rf dipole geometry can also be optimized for lowering multipacting risk and multipole tailoring to meet machine specific field uniformity tolerances. In the present work a survey of field uniformities, and multipole contents for a set of 750 MHz rf dipole designs is presented as both a qualitative and quantitative analysis of the inherent flexibility of the structure and its limitations.

  3. Tailorable 3D microfabrication for photonic applications: two-polymer microtransfer molding (proceedings paper)

    SciTech Connect (OSTI)

    Lee, Jae-Hwang; kim, Chang-Hwan; Constant, Kristen; Ho, Kai-Ming

    2006-02-28

    For photonic devices, extending beyond the planar regime to the third dimension can allow a higher degree of integration and novel functionalities for applications such as photonic crystals and integrated optical circuits. Although conventional photolithography can achieve both high quality and structural control, it is still costly and slow for three-dimensional (3D) fabrication. Moreover, as diverse functional polymers emerge, there is potential to develop new techniques for quick and economical fabrication of 3D structures. We present a 3D microfabrication technique based on the soft lithographic technique, called two-polymer microtransfer molding (2P-{micro}TM) to accomplish low cost, high structural fidelity and tailorable 3D microfabrication for polymers. Using 2P-{micro}TM, highly layered polymeric microstructures are achievable by stacking planar structures layer by layer. For increased processing control, the surface chemistry of the polymers is characterized as a function of changing ultraviolet dosage to optimize yield in layer transfer. We discuss the application of the 2P-{micro}TM to build polymer templates for woodpile photonic crystals, and demonstrate methods for converting the polymer templates to dielectric and metallic photonic crystal structures. Finally, we will show that 2P-{micro}TM is promising for fabricating 3D polymeric optical waveguides.

  4. Epsilon-near-zero modes for tailored light-matter interaction

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

    Campione, Salvatore; Liu, Sheng; Benz, Alexander; Klem, John F.; Sinclair, Michael B.; Brener, Igal

    2015-10-20

    Epsilon-near-zero (ENZ) modes arising from condensed-matter excitations such as phonons and plasmons are a new path for tailoring light-matter interactions at the nanoscale. Complex spectral shaping can be achieved by creating such modes in nanoscale semiconductor layers and controlling their interaction with multiple, distinct, dipole resonant systems. Examples of this behavior are presented at midinfrared frequencies for ENZ modes that are strongly coupled to metamaterial resonators and simultaneously strongly coupled to semiconductor phonons or quantum-well intersubband transitions (ISTs), resulting in double- and triple-polariton branches in transmission spectra. For the double-polariton branch case, we find that the best strategy to maximizemore » the Rabi splitting is to use a combination of a doped layer supporting an ENZ feature and a layer supporting ISTs, with overlapping ENZ and IST frequencies. As a result, this design flexibility renders this platform attractive for low-voltage tunable filters, light-emitting diodes, and efficient nonlinear composite materials.« less

  5. Tailoring the index of refraction of nanocrystalline hafnium oxide thin films

    SciTech Connect (OSTI)

    Vargas, Mirella; Murphy, N. R.; Ramana, C. V.

    2014-03-10

    Hafnium oxide (HfO{sub 2}) films were grown by sputter-deposition by varying the growth temperature (T{sub s} = 25–700 °C). HfO{sub 2} films grown at T{sub s} < 200 °C were amorphous, while those grown at T{sub s} ≥ 200 °C were monoclinic, nanocrystalline with (1{sup ¯}11) texturing. X-ray reflectivity (XRR) analyses indicate that the film-density (ρ) increases with increasing T{sub s}. The index of refraction (n) profiles derived from spectroscopic ellipsometry analyses follow the Cauchy dispersion relation. Lorentz-Lorenz analysis (n{sub (λ)} = 550 nm) and optical-model adopted agree well with the XRR data/analyses. A direct T{sub s}-ρ-n relationship suggests that tailoring the optical quality is possible by tuning T{sub s} and the microstructure of HfO{sub 2} films.

  6. Dry particle coating of polymer particles for tailor-made product properties

    SciTech Connect (OSTI)

    Blümel, C. Schmidt, J. Dielesen, A. Sachs, M. Winzer, B. Peukert, W. Wirth, K.-E.

    2014-05-15

    Disperse polymer powders with tailor-made particle properties are of increasing interest in industrial applications such as Selective Laser Beam Melting processes (SLM). This study focuses on dry particle coating processes to improve the conductivity of the insulating polymer powder in order to assemble conductive devices. Therefore PP particles were coated with Carbon Black nanoparticles in a dry particle coating process. This process was investigated in dependence of process time and mass fraction of Carbon Black. The conductivity of the functionalized powders was measured by impedance spectroscopy. It was found that there is a dependence of process time, respectively coating ratio and conductivity. The powder shows higher conductivities with increasing number of guest particles per host particle surface area, i.e. there is a correlation between surface functionalization density and conductivity. The assembled composite particles open new possibilities for processing distinct polymers such as PP in SLM process. The fundamentals of the dry particle coating process of PP host particles with Carbon Black guest particles as well as the influence on the electrical conductivity will be discussed.

  7. Epsilon-near-zero modes for tailored light-matter interaction

    SciTech Connect (OSTI)

    Campione, Salvatore; Liu, Sheng; Benz, Alexander; Klem, John F.; Sinclair, Michael B.; Brener, Igal

    2015-10-20

    Epsilon-near-zero (ENZ) modes arising from condensed-matter excitations such as phonons and plasmons are a new path for tailoring light-matter interactions at the nanoscale. Complex spectral shaping can be achieved by creating such modes in nanoscale semiconductor layers and controlling their interaction with multiple, distinct, dipole resonant systems. Examples of this behavior are presented at midinfrared frequencies for ENZ modes that are strongly coupled to metamaterial resonators and simultaneously strongly coupled to semiconductor phonons or quantum-well intersubband transitions (ISTs), resulting in double- and triple-polariton branches in transmission spectra. For the double-polariton branch case, we find that the best strategy to maximize the Rabi splitting is to use a combination of a doped layer supporting an ENZ feature and a layer supporting ISTs, with overlapping ENZ and IST frequencies. As a result, this design flexibility renders this platform attractive for low-voltage tunable filters, light-emitting diodes, and efficient nonlinear composite materials.

  8. Tailoring Lignocelluloses for a Sustainable Energy Future (462nd Brookhaven Lecture)

    SciTech Connect (OSTI)

    Liu, Chang-Jun

    2010-10-21

    Today, the world relies on fossil fuels as a primary energy resource. This resource, however, is limited and associated with rising levels of carbon dioxide in the atmosphere. In consequence, the search for renewable biofuels has become increasingly vital. Solutions thus far have focused on first-generation biofuels, such as corn ethanol and biodiesel. But this is not enough. Chang-Jun Liu of the Biology Department discusses how he and his colleagues are studying a more abundant and environmentally friendly renewable energy source — lignocellulosic biomass — found in plant cell walls. Liu explaines, plant cell walls provide unlimited quantities of renewable biomass. However, the intertwined lignin and cellulose that make up the cell walls resist decomposition, so obtaining energy from cellulosic biomass is a challenge. Liu and his colleagues are exploring the biosynthesis and molecular regulation of plant cell walls, particularly that of the most formidable polymer — lignin. With this knowledge, they will develop novel strategies to tailor plant cell wall’s structure and composition for efficient biofuel and biomaterial production.

  9. Electrodeposition of InSb branched nanowires: Controlled growth with structurally tailored properties

    SciTech Connect (OSTI)

    Das, Suprem R.; Mohammad, Asaduzzaman; Janes, David B.; Akatay, Cem; Khan, Mohammad Ryyan; Alam, Muhammad A.; Maeda, Kosuke; Deacon, Russell S.; Ishibashi, Koji; Chen, Yong P.; Sands, Timothy D.

    2014-08-28

    In this article, electrodeposition method is used to demonstrate growth of InSb nanowire (NW) arrays with hierarchical branched structures and complex morphology at room temperature using an all-solution, catalyst-free technique. A gold coated, porous anodic alumina membrane provided the template for the branched NWs. The NWs have a hierarchical branched structure, with three nominal regions: a “trunk” (average diameter of 150 nm), large branches (average diameter of 100 nm), and small branches (average diameter of sub-10 nm to sub-20 nm). The structural properties of the branched NWs were studied using scanning transmission electron microscopy, transmission electron microscopy, scanning electron microscopy, x-ray diffraction, energy dispersive x-ray spectroscopy, and Raman spectroscopy. In the as-grown state, the small branches of InSb NWs were crystalline, but the trunk regions were mostly nanocrystalline with an amorphous boundary. Post-annealing of NWs at 420 °C in argon produced single crystalline structures along 〈311〉 directions for the branches and along 〈111〉 for the trunks. Based on the high crystallinity and tailored structure in this branched NW array, the effective refractive index allows us to achieve excellent antireflection properties signifying its technological usefulness for photon management and energy harvesting.

  10. Tailoring a low-molecular weight protein tyrosine phosphatase into an efficient reporting protein

    SciTech Connect (OSTI)

    Liu, Xiao-Yan; Li, Lan-Fen [The National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Science, Peking University, Beijing 100871 (China)] [The National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Science, Peking University, Beijing 100871 (China); Su, Xiao-Dong, E-mail: xdsu@pku.edu.cn [The National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Science, Peking University, Beijing 100871 (China) [The National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Science, Peking University, Beijing 100871 (China); Shenzhen Graduate School of Peking University, Shenzhen 518055 (China)

    2009-05-15

    Fusion reporter methods are important tools for biology and biotechnology. An ideal reporter protein in a fusion system should have little effects on its fusion partner and provide an easy and accurate readout. Therefore, a small monomeric protein with high activity for detection assays often has advantages as a reporter protein. For this purpose, we have tailored the human B-form low-molecular-weight phosphotyrosyl phosphatase (HPTP-B) to increase its general applicability as a potent reporter protein. With the aim to eliminate interference from cysteine residues in the native HPTP-B, combined with a systematic survey of N- and C-terminal truncated variants, a series of cysteine to serine mutations were introduced, which allowed isolation of an engineered soluble protein with suitable biophysical properties. When we deleted both the first six residues and the last two residues, we still obtained a soluble mutant protein with correct folding and similar activity with wild-type protein. This mutant with two cysteine to serine mutations, HPTP-B{sup N{sub {Delta}}6-C{sub {Delta}}2-C90S-C109S}, has good potential as an optimal reporter.

  11. Passive tailoring of laser-accelerated ion beam cut-off energy by using double foil assembly

    SciTech Connect (OSTI)

    Chen, S. N. Brambrink, E.; Mancic, A.; Romagnani, L.; Audebert, P.; Fuchs, J.; Robinson, A. P. L.; Antici, P.; Dipartimento SBAI, Università di Roma « La Sapienza », Via Scarpa 14-16, 00165 Roma; INRS-Énergie et Matériaux, 1650 bd. L. Boulet, Varennes, J3X1S2 Québec ; D'Humières, E.; Centre de Physique Théorique, CNRS-Ecole Polytechnique, 91128 Palaiseau; University of Bordeaux—CNRS—CEA, CELIA, UMR5107, 33405 Talence ; Gaillard, S.; Grismayer, T.; Mora, P.; Pépin, H.

    2014-02-15

    A double foil assembly is shown to be effective in tailoring the maximum energy produced by a laser-accelerated proton beam. The measurements compare favorably with adiabatic expansion simulations, and particle-in-cell simulations. The arrangement proposed here offers for some applications a simple and passive way to utilize simultaneously highest irradiance lasers that have best laser-to-ion conversion efficiency while avoiding the production of undesired high-energy ions.

  12. AN ANALYTICAL MODEL OF INTERSTELLAR GAS IN THE HELIOSPHERE TAILORED TO INTERSTELLAR BOUNDARY EXPLORER OBSERVATIONS

    SciTech Connect (OSTI)

    Lee, Martin A.; Kucharek, Harald; Moebius, Eberhard; Wu Xian [Space Science Center and Department of Physics, University of New Hampshire, Durham, NH 03824 (United States); Bzowski, Maciej [Space Research Centre, Polish Academy of Sciences, 00-716 Warsaw (Poland); McComas, David, E-mail: marty.lee@unh.edu [Engineering and Space Science Division, Southwest Research Institute, San Antonio, TX 78228 (United States)

    2012-02-01

    The stationary distribution of interstellar neutral gas in the heliosphere subject to solar gravity, solar radiation pressure, photoionization, and charge exchange is investigated analytically assuming ionization rates and radiation pressure that are proportional to R{sup -2}, where R is the heliocentric radius. The collisionless hyperbolic trajectories of the individual atoms including ionization losses are combined with Liouville's Theorem to construct the heliospheric phase-space distribution function of an interstellar gas species in the solar reference frame under the assumption that the distribution is a drifting Maxwellian at large distances from the Sun. The distribution is transformed to the Earth (essentially Interstellar Boundary Explorer (IBEX)) frame as a function of solar longitude. The expression is then tailored to the latitudinal scan of IBEX as a function of longitude using the fact that IBEX detects each atom close to perihelion in its hyperbolic orbit. The distribution is further adapted to IBEX by integrating the differential intensity over the entrance aperture solid angle of the IBEX-Lo collimator, and over energy to predict the IBEX count rate of helium. The major features of the predicted count rate are described, including a peak in longitude, a peak in latitude at each longitude, and the widths of the major peak in both latitude and longitude. Analytical formulae for these features are derived for comparison with IBEX observations in order to determine the temperature and bulk velocity of the gas in interstellar space. Based in part on these formulae, the results for helium are presented in the companion paper by Moebius et al.

  13. Facile synthesis of B-type carbonated nanoapatite with tailored microstructure

    SciTech Connect (OSTI)

    Gualtieri, Magdalena Lassinantti; Romagnoli, Marcello; Hanuskova, Miriam; Fabbri, Elena; Gualtieri, Alessandro F.

    2014-12-15

    Nanolime and a phosphate-based chelating agent were used to synthesize B-type carbonated apatite. Developed Rietveld refinement strategies allowed one to determine process yield, product crystallinity as well as structural (unit cell) and microstructural (size, strain) parameters. The effect of synthesis temperature (20–60 °C) as well as Ca/P ratio (1.5–2.5) and solid content (10–30 wt%) of the starting batch on these properties were investigated. FTIR, TEM and gas adsorption data provided supporting evidence. The process yield was 42–60 wt% and found to be governed by the Ca/P ratio. The purified products had high specific surface area (107–186 m{sup 2}/g) and crystallinity (76–97%). The unit cell parameters, correlated to the degree of structural carbonate, were sensitive to the Ca/P ratio. Instead, temperature governed the microstructural parameters. Less strained and larger crystals were obtained at higher temperatures. Long-term aging up to 6 months at 20 °C compensated for higher crystal growth kinetics at higher temperature. - Graphical abstract: Controlled synthesis of carbonated apatite at moderate temperatures using nanolime and sodiumhexametaphosphate as starting reagent. - Highlights: • Chemical synthesis of nano-sized apatite with tailored microstructure was performed. • Colloidal Ca(OH){sub 2} and a phosphorus-based chelating agents were used as reagents. • The method is simple and reproducible which facilitate industrial process scale-up. • Rietveld refinement strategies for product characterization were developed. • Rietveld analyses provided yield, microstructural and structure information.

  14. Oxygen and relative humidity monitoring with films tailored for enhanced photoluminescence

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

    Cui, Weipan; Liu, Rui; Manna, Eeshita; Park, Joong -Mok; Fungura, Fadzai; Shinar, Joseph; Shinar, Ruth

    2014-10-31

    In this study, approaches to generate porous or doped sensing films, which significantly enhance the photoluminescence (PL) of oxygen optical sensors, and thus improve the signal-to-noise (S/N) ratio, are presented. Tailored films, which enable monitoring the relative humidity (RH) as well, are also presented. Effective porous structures, in which the O2-sensitive dye Pt octaethylporphyrin (PtOEP) or the Pd analog PdOEP was embedded, were realized by first generating blend films of polyethylene glycol (PEG) with polystyrene (PS) or with ethyl cellulose (EC), and then immersing the dried films in water to remove the water-soluble PEG. This approach creates pores (voids) inmore » the sensing films. The dielectric contrast between the films’ constituents and the voids increases photon scattering, which in turn increases the optical path of the excitation light within the film, and hence light absorption by the dye, and its PL. Optimized sensing films with a PEG:PS ratio of 1:4 (PEG’s molecular weight Mw ~8000) led to ~4.4× enhancement in the PL (in comparison to PS films). Lower Mw ~200 PEG with a PEG:EC ratio of 1:1 led to a PL enhancement of ~4.7×. Film-dependent PL enhancements were observed at all oxygen concentrations. The strong PL enhancement enables (i) using lower dye (luminophore) concentrations, (ii) reducing power consumption and enhancing the sensor’s operational lifetime when using organic light emitting diodes (OLEDs) as excitation sources, (iii) improving performance when using compact photodetectors with no internal gain, and (iv) reliably extending the dynamic range.« less

  15. Towards tailoring the magnetocaloric response in FeRh-based ternary compounds

    SciTech Connect (OSTI)

    Barua, Radhika Jiménez-Villacorta, Félix; Lewis, L. H.

    2014-05-07

    In this work, we demonstrate that the magnetocaloric response of FeRh-based compounds may be tailored for potential magnetic refrigeration applications by chemical modification of the FeRh lattice. Alloys of composition Fe(Rh{sub 1−x}A{sub x}) or (Fe{sub 1−x}B{sub x})Rh (A = Cu, Pd; B = Ni; 0 < x < 0.06) were synthesized via arc-melting and subsequent annealing in vacuum at 1000 °C for 48 h. The magnetocaloric properties of the FeRh-based systems were determined using isothermal M(H) curves measured in the vicinity of the magnetostructural temperature (T{sub t}). It is found that the FeRh working temperature range (δT{sub FWHM}) may be chemically tuned over a wide temperature range, 100 K ≤ T ≤ 400 K. While elemental substitution consistently decreases the magnetic entropy change (ΔS{sub mag}) of the FeRh-based ternary alloys from that of the parent FeRh compound (ΔS{sub mag},{sub FeRh} ∼ 17 J/kg K; ΔS{sub mag,FeRh-ternary =} 7–14 J/kg K at H{sub app} = 2 T), the net refrigeration capacity (RC), defined as the amount of heat that can be transferred during one magnetic refrigeration cycle, of the modified systems is significantly higher (RC{sub FeRh} ∼ 150 J/kg; RC{sub FeRh-ternary =} 170–210 J/kg at H{sub app} = 2 T). These results are attributed to stoichiometry-induced changes in the FeRh electronic band structure and beneficial broadening of the magnetostructural transition due to local chemical disorder.

  16. Rapid production of large-area deep sub-wavelength hybrid structures by femtosecond laser light-field tailoring

    SciTech Connect (OSTI)

    Wang, Lei; Chen, Qi-Dai E-mail: hbsun@jlu.edu.cn; Yang, Rui; Xu, Bin-Bin; Wang, Hai-Yu; Yang, Hai; Huo, Cheng-Song; Tu, Hai-Ling; Sun, Hong-Bo E-mail: hbsun@jlu.edu.cn

    2014-01-20

    The goal of creation of large-area deep sub-wavelength nanostructures by femtosecond laser irradiation onto various materials is being hindered by the limited coherence length. Here, we report solution of the problem by light field tailoring of the incident beam with a phase mask, which serves generation of wavelets. Direct interference between the wavelets, here the first-order diffracted beams, and interference between a wavelet and its induced waves such as surface plasmon polariton are responsible for creation of microgratings and superimposed nanogratings, respectively. The principle of wavelets interference enables extension of uniformly induced hybrid structures containing deep sub-wavelength nanofeatures to macro-dimension.

  17. Controlling the spectrum of x-rays generated in a laser-plasma accelerator by tailoring the laser wavefront

    SciTech Connect (OSTI)

    Mangles, S. P. D.; Kneip, S.; Dover, N. P.; Najmudin, Z.; Schreiber, J.; Genoud, G.; Burza, M.; Kamperidis, C.; Persson, A.; Wahlstroem, C.-G.; Cassou, K.; Cros, B.; Wojda, F.

    2009-11-02

    By tailoring the wavefront of the laser pulse used in a laser-wakefield accelerator, we show that the properties of the x-rays produced due to the electron beam's betatron oscillations in the plasma can be controlled. By creating a wavefront with coma, we find that the critical energy of the synchrotronlike x-ray spectrum can be significantly increased. The coma does not substantially change the energy of the electron beam, but does increase its divergence and produces an energy-dependent exit angle, indicating that changes in the x-ray spectrum are due to an increase in the electron beam's oscillation amplitude within the wakefield.

  18. Design and Testing of a 10B4C Capsule for Spectral-Tailoring in Mixed-Spectrum Reactors

    SciTech Connect (OSTI)

    Greenwood, Lawrence R.; Wittman, Richard S.; Metz, Lori A.; Finn, Erin C.; Friese, Judah I.

    2014-04-11

    A boron carbide capsule highly enriched in 10B has been designed and used for spectral-tailoring experiments at the TRIGA reactor at Washington State University. New experiments show that enriching the boron to 96% B-10 results in additional absorption of neutrons in the resonance region thereby producing a neutron spectrum that is much closer to a pure 235U fission spectrum. A cadmium outer cover was used to reduce thermal heating. The neutron spectrum calculated with MCNP was found to be in very good agreement with measured activation rates from neutron fluence monitors.

  19. Chemistry of SOFC Cathode Surfaces: Fundamental Investigation and Tailoring of Electronic Behavior

    SciTech Connect (OSTI)

    Yildiz, Bilge; Heski, Clemens

    2013-08-31

    provides a predictive capability to tailor the cathode surface compositions for high-performance SO

  20. Mechanism of tailored magnetic anisotropy in amorphous Co{sub 68}Fe{sub 24}Zr{sub 8} thin films

    SciTech Connect (OSTI)

    Fu, Yu E-mail: cangcangzhulin@gmail.com; Meckenstock, R.; Farle, M.; Barsukov, I.; Lindner, J.; Raanaei, H.; Hjörvarsson, B.

    2014-02-17

    The mechanism of tailored magnetic anisotropy in amorphous Co{sub 68}Fe{sub 24}Zr{sub 8} thin films was investigated by ferromagnetic resonance (FMR) on samples deposited without an applied magnetic field, with an out-of-plane field and an in-plane field. Analysis of FMR spectra profiles, high frequency susceptibility calculations, and statistical simulations using a distribution of local uniaxial magnetic anisotropy reveal the presence of atomic configurations with local uniaxial anisotropy, of which the direction can be tailored while the magnitude remains at an intrinsically constant value of 3.0(2) kJ/m{sup 3}. The in-plane growth field remarkably sharpens the anisotropy distribution and increases the sample homogeneity. The results benefit designing multilayer spintronic devices based on highly homogeneous amorphous layers with tailored magnetic anisotropy.

  1. Non-Equilibrium Vibrational Kinetics in Radiofrequency H2 Plasmas: a Comparison Between Theoretical and Experimental Results

    SciTech Connect (OSTI)

    Capitelli, M.; De Pascale, O.; Shakatov, V.; Hassouni, K.; Lombardi, G.; Gicquel, A.

    2005-05-16

    Vibrational and rotational experimental temperatures of molecular hydrogen obtained by Coherent Anti-Stokes Spectroscopy (CARS) in Radiofrequency Inductive Plasmas have been analyzed and interpreted in terms of vibration, electron, dissociation-recombination and attachment kinetics. The analysis clarifies the role of atomic hydrogen and its heterogeneous recombination in affecting the vibrational content of the molecules.

  2. Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses

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

    Canton, Sophie E.; Kjær, Kasper S.; Vankó, György; van Driel, Tim B.; Adachi, Shin -ichi; Bordage, Amélie; Bressler, Christian; Chabera, Pavel; Christensen, Morten; Dohn, Asmus O.; et al

    2015-03-02

    Ultrafast photoinduced electron transfer preceding energy equilibration still poses many experimental and conceptual challenges to the optimization of photoconversion since an atomic-scale description has so far been beyond reach. Here we combine femtosecond transient optical absorption spectroscopy with ultrafast X-ray emission spectroscopy and diffuse X-ray scattering at the SACLA facility to track the non-equilibrated electronic and structural dynamics within a bimetallic donor–acceptor complex that contains an optically dark centre. Exploiting the 100-fold increase in temporal resolution as compared with storage ring facilities, these measurements constitute the first X-ray-based visualization of a non-equilibrated intramolecular electron transfer process over large interatomic distances.more » Thus experimental and theoretical results establish that mediation through electronically excited molecular states is a key mechanistic feature. The present study demonstrates the extensive potential of femtosecond X-ray techniques as diagnostics of non-adiabatic electron transfer processes in synthetic and biological systems, and some directions for future studies, are outlined.« less

  3. Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses

    SciTech Connect (OSTI)

    Canton, Sophie E.; Kjr, Kasper S.; Vank, Gyrgy; van Driel, Tim B.; Adachi, Shin -ichi; Bordage, Amlie; Bressler, Christian; Chabera, Pavel; Christensen, Morten; Dohn, Asmus O.; Galler, Andreas; Gawelda, Wojciech; Gosztola, David; Haldrup, Kristoffer; Harlang, Tobias; Liu, Yizhu; Mller, Klaus B.; Nmeth, Zoltn; Nozawa, Shunsuke; Ppai, Mtys; Sato, Tokushi; Sato, Takahiro; Suarez-Alcantara, Karina; Togashi, Tadashi; Tono, Kensuke; Uhlig, Jens; Vithanage, Dimali A.; Wrnmark, Kenneth; Yabashi, Makina; Zhang, Jianxin; Sundstrm, Villy; Nielsen, Martin M.

    2015-03-02

    Ultrafast photoinduced electron transfer preceding energy equilibration still poses many experimental and conceptual challenges to the optimization of photoconversion since an atomic-scale description has so far been beyond reach. Here we combine femtosecond transient optical absorption spectroscopy with ultrafast X-ray emission spectroscopy and diffuse X-ray scattering at the SACLA facility to track the non-equilibrated electronic and structural dynamics within a bimetallic donoracceptor complex that contains an optically dark centre. Exploiting the 100-fold increase in temporal resolution as compared with storage ring facilities, these measurements constitute the first X-ray-based visualization of a non-equilibrated intramolecular electron transfer process over large interatomic distances. Thus experimental and theoretical results establish that mediation through electronically excited molecular states is a key mechanistic feature. The present study demonstrates the extensive potential of femtosecond X-ray techniques as diagnostics of non-adiabatic electron transfer processes in synthetic and biological systems, and some directions for future studies, are outlined.

  4. Tailoring the laser pulse shape to improve the quality of the self-injected electron beam in laser wakefield acceleration

    SciTech Connect (OSTI)

    Upadhyay, Ajay K.; Samant, Sushil A.; Krishnagopal, S.

    2013-01-15

    In laser wakefield acceleration, tailoring the shape of the laser pulse is one way of influencing the laser-plasma interaction and, therefore, of improving the quality of the self-injected electron beam in the bubble regime. Using three-dimensional particle-in-cell simulations, the evolution dynamics of the laser pulse and the quality of the self-injected beam, for a Gaussian pulse, a positive skew pulse (i.e., one with sharp rise and slow fall), and a negative skew pulse (i.e., one with a slow rise and sharp fall) are studied. It is observed that with a negative skew laser pulse there is a substantial improvement in the emittance (by around a factor of two), and a modest improvement in the energy-spread, compared to Gaussian as well as positive skew pulses. However, the injected charge is less in the negative skew pulse compared to the other two. It is also found that there is an optimal propagation distance that gives the best beam quality; beyond this distance, though the energy increases, the beam quality deteriorates, but this deterioration is least for the negative skew pulse. Thus, the negative skew pulse gives an improvement in terms of beam quality (emittance and energy spread) over what one can get with a Gaussian or positive skew pulse. In part, this is because of the lesser injected charge, and the strong suppression of continuous injection for the negative skew pulse.

  5. Tailoring the magnetic properties of new Fe-Ni-Co-Al-(Ta,Nb)-B superelastic rapidly quenched microwires

    SciTech Connect (OSTI)

    Borza, F. Lupu, N.; Dobrea, V.; Chiriac, H.

    2015-05-07

    Ferromagnetic Fe-Ni-Co-Al-(Ta,Nb)-B microwires with diameters from 170 μm to 50 μm, which possess both superelastic and good magnetic properties, have been prepared by rapid quenching from the melt using the in rotating water spinning technique followed by cold-drawing and ageing. The cold-drawing and annealing processes lead to the initialization of premartensitic phases as confirmed by the X-ray diffraction and scanning transmission electron microscopic investigations, more significantly in the 50 μm cold-drawn microwires. An increase in the coercive field and in the saturation magnetization has been obtained by annealing, more importantly in the case of Nb-containing alloy. Ageing by thermal or current annealing led to the initialization of the superelastic effect. High values of strain of up to 1.8%, very good repeatability under successive loading, and values of superelastic effect of up to 1.2% have been achieved. The structural analysis coupled with the stress-strain data suggests that these materials annealed at 800 °C have superelastic potential at reduced ageing times. The magnetic behavior was found to be easily tailored through both thermal and thermomagnetic treatments with changes in the magnetic parameters which can be contactless detected. The results are important for future applications where both mechanical and magnetic properties matter, i.e., sensing/actuating systems.

  6. Tailored Recovery of Carbons from Waste Tires for Enhanced Performance as Anodes in Lithium-ion Batteries

    SciTech Connect (OSTI)

    Naskar, Amit K; Bi,; Saha, Dipendu; Chi, Miaofang; Bridges, Craig A; Paranthaman, Mariappan Parans

    2014-01-01

    Morphologically tailored pyrolysis-recovered carbon black is utilized in lithium-ion batteries as a potential solution for adding value to waste tire-rubber-derived materials. Micronized tire rubber was digested in a hot oleum bath to yield a sulfonated rubber slurry that was then filtered, washed, and compressed into a solid cake. Carbon was recovered from the modified rubber cake by pyrolysis in a nitrogen atmosphere. The chemical pretreatment of rubber produced a carbon monolith with higher yield than that from the control (a fluffy tire-rubber-derived carbon black). The carbon monolith showed a very small volume fraction of pores of widths 3 4 nm, reduced specific surface area, and an ordered assembly of graphitic domains. Electrochemical studies on the recovered-carbon-based anode revealed an improved Li-ion battery performance with higher reversible capacity than that of commercial carbon materials. Anodes made with a sulfonated tire-rubber-derived carbon and a control tire-rubber-derived carbon, respectively, exhibited an initial coulombic efficiency of 80% and 45%, respectively. The reversible capacity of the cell with the sulfonated carbon as anode was 400 mAh/g after 100 cycles, with nearly 100% coulombic efficiency. Our success in producing higher performance carbon material from waste tire rubber for potential use in energy storage applications adds a new avenue to tire rubber recycling.

  7. Role of bimodal distribution in tailoring the inter-particle interactions in Cu{sub 79}Co{sub 21} nanogranular films

    SciTech Connect (OSTI)

    Kumar, Dinesh Chaudhary, Sujeet Pandya, Dinesh K.

    2014-04-24

    Nanogranular Cu{sub 79}Co{sub 21} films were deposited by magnetron co-sputtering and their magnetotransport properties were investigated as a function of thickness (t). The fitting of magnetoresistance (MR) data reveals the presence of bimodal distribution of Co-particles. With the increase of film thickness from 25 to 200 nm, whereas smaller particle (2.5 nm) distribution remains unaffected, the bigger one grows monotonically from 3.3 nm to 4.9 nm for 25 ≤ t < 100 nm and stays same (4.9 nm) for 100 ≤ t ≤ 200 nm. From MR data recorded in the range of 20–300 K, it is observed that dependence of MR on thickness keeps on reducing on lowering the temperature. This observance has been presented in terms of presence of bimodal distribution and its role in tailoring the inter-particle magnetic interactions.

  8. Single crystalline Pr{sub 2-x}Y{sub x}O{sub 3} (x=0-2) dielectrics on Si with tailored electronic and crystallographic structure

    SciTech Connect (OSTI)

    Seifarth, O.; Schubert, M. A.; Giussani, A.; Schroeder, T.; Klenov, D. O.; Schmeisser, D.

    2010-11-15

    Crystalline oxides on Si with tailored electronic and crystallographic properties are of importance for the integration of functional oxides or alternative semiconductors to enable novel device concepts in Si microelectronics. We present an electronic band gap study of single crystalline Pr{sub 2-x}Y{sub x}O{sub 3} (0{<=}x{<=}2) heterostructures on Si(111). The perfect solubility of the isomorphic bixbyites Pr{sub 2}O{sub 3} and Y{sub 2}O{sub 3} during molecular beam epitaxy thin film growth on Si enables a linear band gap tuning. Special focus is devoted to the determination of the electronic band offsets across the dielectric/Si interface. In addition, the composition x allows to control the crystallographic lattice parameter where, for example, Pr{sub 0.8}Y{sub 1.2}O{sub 3} enables the growth of fully lattice matched oxide heterostructures on Si.

  9. Simultaneous enhancement of carrier mobility and concentration via tailoring of Al-chemical states in Al-ZnO thin films

    SciTech Connect (OSTI)

    Kumar, Manish Wen, Long; Sahu, Bibhuti B.; Han, Jeon Geon

    2015-06-15

    Simultaneously achieving higher carriers concentration and mobility is a technical challenge against up-scaling the transparent-conductive performances of transparent-conductive oxides. Utilizing one order higher dense (∼1 × 10{sup 11} cm{sup −3}) plasmas (in comparison to the conventional direct current plasmas), highly c-axis oriented Al-doped ZnO films have been prepared with precise control over relative composition and chemical states of constituting elements. Tailoring of intrinsic (O vacancies) and extrinsic (ionic Al and zero-valent Al) dopants provide simultaneous enhancement in mobility and concentration of charge carriers. Room-temperature resistivity as low as 4.89 × 10{sup −4} Ω cm along the carrier concentration 5.6 × 10{sup 20} cm{sup −3} is obtained in 200 nm thick transparent films. Here, the control of atomic Al reduces the charge trapping at grain boundaries and subdues the effects of grain boundary scattering. A mechanism based on the correlation between electron-hole interaction and carrier mobility is proposed for degenerately doped wide band-gap semiconductors.

  10. Modeling of ground water aquifer remediation by pulsed pumping when contaminant transport is affected by physical, non-equilibrium sorption and desorption. Master's thesis

    SciTech Connect (OSTI)

    Caspers, J.L.

    1994-08-12

    This research postulates and demonstrates incorporating rate-limited sorption effects in the USGS SUTRA code for cleanup of a hypothetical sandy aquifer by pump-and-treat remediation methods. Contaminant transport is assumed to be affected by advection, dispersion, and rate-limited sorption/desorption. Sorption is assumed to be either equilibrium or rate-limited, with the rate-limitation described by either a first-order law, or by Fickian diffusion of contaminant through a spherical immobile pore region. Solutions are arrived at by split operator methods for the transport and one-dimensional Galerkin solutions for the solute concentration equations. The resulting model is tested against an analytical Laplace transform model for both first-order and Fickian diffusion methods in a radial pumping simulation. Model simulations are used to evaluate equilibrium, first-order and Fickian diffusion effects for pulsed and continuous pumping solutions within a hypothetical sandy aquifer. These show that equilibrium methods under-predicted rebound while first-order methods may both under and over predict rebound within the matrix for certain regions and may be equivalent to Fickian diffusion in equilibrium regimes for cleanup time prediction. Model simulations are then used to show the efficiency of pulsed pumping methods in cleanup mass extraction per pumped volume for a contaminated aquifer pump-and-treat remediation activity versus more conventional, continuous pumping methods.

  11. Non-equilibrium synthesis by laser cladding of Ni, Nb and Mg alloys for improved environmental resistance. Final report, Nov 88-Oct 91

    SciTech Connect (OSTI)

    Mazumder, J.; Kar, A.; Tewari, S.K.; Ribaudo, C.R.

    1992-03-30

    The technique of laser surface modification provides a unique means of synthesizing novel nonequilibrium materials in near net shape. The goal of the proposed program is to develop a science base for synthesis of nonequilibrium metastable alloys by laser processing. This report summarizes experimental and theoretical studies carried out during the period of November 1988 to October 1991 on laser surface modification of Ni, Nb and Mg alloys for improved environmental resistance at high temperature. A microstructural evolution model of NbAl3 was developed and the relative oxidation resistance of claddings of several Nb-based alloys were investigated. Initial work with V revealed that V increases the ductility, and decreases the oxidation resistance of laser clad NbAl3. Oxidation behavior of alloys with Ti, B and Hf as a ternary alloy addition were identified: Oxidation tests at 800, 1200, and 1400 deg C were conducted on NbAl3-0 at %B (O B), NbAl3-0.5 at %B (0.5 B), NbAl3-1.0 at %B (1.0 B), NbAl3-1.0 at B-3 at %Ti (3 Ti), NbAl3-1.0 at %B-6 at %Ti (6 Ti) and NbAl3-1.5 at %Hf (1.5 Hf) alloys. An external layer of x-alumina formed on samples of alloys 0.5 B and 1.0 B isothermally oxidized in air at 800, 1200 and 1400 deg C. A mixture of alumina and NbAl04 formed on the samples of alloy 0 B exposed to same testing conditions.

  12. The behavior of matter under non-equilibrium conditions: Fundamental aspects and applications. Progress report, July 15, 1991--July 14, 1992

    SciTech Connect (OSTI)

    Prigogine, I.

    1992-04-01

    This report briefly discusses concepts of chaotic systems. The topics discusses are: Bernoulli maps; mathematical aspects of the complex spectral representations; and large poincare systems. (LSP)

  13. A general unified non-equilibrium model for predicting saturated and subcooled critical two-phase flow rates through short and long tubes

    SciTech Connect (OSTI)

    Fraser, D.W.H.; Abdelmessih, A.H.

    1995-09-01

    A general unified model is developed to predict one-component critical two-phase pipe flow. Modelling of the two-phase flow is accomplished by describing the evolution of the flow between the location of flashing inception and the exit (critical) plane. The model approximates the nonequilibrium phase change process via thermodynamic equilibrium paths. Included are the relative effects of varying the location of flashing inception, pipe geometry, fluid properties and length to diameter ratio. The model predicts that a range of critical mass fluxes exist and is bound by a maximum and minimum value for a given thermodynamic state. This range is more pronounced at lower subcooled stagnation states and can be attributed to the variation in the location of flashing inception. The model is based on the results of an experimental study of the critical two-phase flow of saturated and subcooled water through long tubes. In that study, the location of flashing inception was accurately controlled and adjusted through the use of a new device. The data obtained revealed that for fixed stagnation conditions, the maximum critical mass flux occurred with flashing inception located near the pipe exit; while minimum critical mass fluxes occurred with the flashing front located further upstream. Available data since 1970 for both short and long tubes over a wide range of conditions are compared with the model predictions. This includes test section L/D ratios from 25 to 300 and covers a temperature and pressure range of 110 to 280{degrees}C and 0.16 to 6.9 MPa. respectively. The predicted maximum and minimum critical mass fluxes show an excellent agreement with the range observed in the experimental data.

  14. Small-scale experiments with an analysis to evaluate the effect of tailored pulse loading on fracture and permeability. Final report for phase I, June 11, 1979-June 11, 1980

    SciTech Connect (OSTI)

    McHugh, S.

    1980-06-01

    To determine the applicability of the tailored pulse-loading technique to full-scale stimulation, a two-year program was conducted to examine the effects of pulse tailoring on fracture. Results of the field, laboratory, and calculational program demonstrate that: (1) the material and fracture properties derived from laboratory measurements can be used successfully in the NAG-FRAG calculational simulations to reproduce the main features of fracturing in the field; and (2) the fracture patterns produced in these experiments show a strong dependence on the borehole pressure pulse shape. The material and fracture properties will have a significant influence on the fracture patterns. Therefore, shale and tuff will have different optimum pulse shapes.

  15. Novel chemically stable Ba3Ca1.18Nb1.82-xYxO9- proton conductor: improved proton conductivity through tailored cation ordering

    SciTech Connect (OSTI)

    Wang, Siwei; Chen, Yan; Fang, Shumin; Zhang, Lingling; Tang, Ming; An, Ke; Brinkman, Dr. Kyle S.; Chen, Fanglin

    2014-01-01

    Simple perovskite-structured proton conductors encounter significant challenges to simultaneously achieving excellent chemical stability and proton conductivity that are desirable for many important applications in energy conversion and storage. This work demonstrates that Y-doped complex-perovskite-structured Ba3Ca1.18Nb1.82 xYxO9 materials possess both improved proton conductivity and exceptional chemical stability. Neutron powder diffraction refinement revealed a Fm3 m perovskite-structure and increased oxygen vacancy concentration due to the Y doping. High-resolution TEM analysis confirmed the perturbation of the B site cation ordering in the structure for the Ba3Ca1.18Nb1.82 xYxO9 materials. Such combined effects led to improved proton conductivity with a value of 5.3 10 3 S cm 1 at 600 C for Ba3Ca1.18Nb1.52Y0.3O9 (BCNY0.3), a value 2.4 times higher compared with that of the undoped Ba3Ca1.18Nb1.82O9 . The Ba3Ca1.18Nb1.82 xYxO9 materials showed remarkable chemical stability toward water and demonstrated no observable reactions to CO2 exposure. Ionic transport number studies showed that BCNY0.3 had predominantly proton conduction below 600 C. Solid oxide fuel cells using BCNY0.3 as an electrolyte demonstrated cell power output of 103 mW cm 2 at 750 C. These results suggest that a doping strategy that tailors the cation ordering in complex perovskites provides a new direction in the search for novel proton conducting ceramics.

  16. Tailoring nanocrystalline diamond film properties

    DOE Patents [OSTI]

    Gruen, Dieter M.; McCauley, Thomas G.; Zhou, Dan; Krauss, Alan R.

    2003-07-15

    A method for controlling the crystallite size and growth rate of plasma-deposited diamond films. A plasma is established at a pressure in excess of about 55 Torr with controlled concentrations of hydrogen up to about 98% by volume, of unsubstituted hydrocarbons up to about 3% by volume and an inert gas of one or more of the noble gases and nitrogen up to about 98% by volume. The volume ratio of inert gas to hydrogen is preferably maintained at greater than about 4, to deposit a diamond film on a suitable substrate. The diamond film is deposited with a predetermined crystallite size and at a predetermined growth rate.

  17. A MATERIAL WORLD Tailoring Materials

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

    ... to the melting of uranium alloys, and methods to ... and can be related to the details of its microstructure. ... in an iron-nickel invar alloy at two different volumes. ...

  18. SiO{sub 2} nanospheres with tailorable interiors by directly controlling Zn{sup 2+} and NH{sub 3}.H{sub 2}O species in an emulsion process

    SciTech Connect (OSTI)

    Liao Yuchao; Wu Xiaofeng; Wang Zhen; Chen Yunfa

    2011-07-15

    SiO{sub 2} nanospheres with tailorable interiors were synthesized by a facile one-spot microemulsion process using TEOS as silica source, wherein cyclohexane including triton X-100 and n-octanol as oil phase and Zn{sup 2+} or NH{sub 3}.H{sub 2}O aqueous solution as dispersive phase, respectively. The products were characterized by Scanning Electron Microscopy, Transmission Electron Microscopy and X-ray Powder Diffraction. It was suggested that the as-synthesized silica nanospheres possessed grape-stone-like porous or single hollow interior, and also found that the ammonia dosage and aging time played key roles in controlling the size and structure of silica nanospheres. Furthermore, the comparative results confirmed that in-situ zinc species [ZnO/Zn(OH){sub 2}] acted as the temporary templates to construct grape-stone-like interior, and a simultaneously competing etching process occurred owing to the soluble Zn(NH{sub 3}){sub 4}{sup 2+} complex formation while the additional excessive ammonia was introduced. With the aging time being extended, the in-situ nanocrystals tended to grow into bigger ones by Ostwald Ripening, producing single hollow interior. - Graphical Abstract: Formation process of SiO{sub 2} nanospheres with porous and single hollow interior. Highlights: > ZnO/Zn(OH){sub 2} nanocrystals as the temporary templates shape the interior structures of SiO{sub 2} nanospheres. > Fabrication of porous and single hollow interiors needs no additional processes such as roasting or dissolving. > Tailorable interiors can be easily obtained through adjusting the aging time of temporary templates.

  19. ?Linear Gas Jet with Tailored Density Profile"

    SciTech Connect (OSTI)

    KRISHNAN, Mahadevan

    2012-12-10

    Supersonic, highly collimated gas jets and gas-filled capillary discharge waveguides are two primary targets of choice for Laser Plasma Accelerators (LPA) . Present gas jets have lengths of only 2-4 mm at densities of 1-4E19 cm-3, sufficient for self trapping and electron acceleration to energies up to ~150 MeV. Capillary structures 3 cm long have been used to accelerate beams up to 1 GeV. Capillary discharges used in LPAs serve to guide the pump laser and optimize the energy gain. A wall-stabilized capillary discharge provides a transverse profile across the channel that helps guide the laser and combat diffraction. Gas injection via a fast nozzle at one end provides some longitudinal density control, to improve the coupling. Gas jets with uniform or controlled density profiles may be used to control electron bunch injection and are being integrated into capillary experiments to add tuning of density. The gas jet for electron injection has not yet been optimized. Our Ph-I results have provided the LPA community with an alternative path to realizing a 2-3GeV electron bunch using just a gas jet. For example, our slit/blade combination gives a 15-20mm long acceleration path with tunable density profile, serving as an alternative to a 20-mm long capillary discharge with gas injection at one end. In Ph-II, we will extend these results to longer nozzles, to see whether we can synthesize 30 or 40-mm long plasma channels for LPAs.

  20. Tailored fischer-tropsch synthesis product distribution

    DOE Patents [OSTI]

    Wang, Yong; Cao, Chunshe; Li, Xiaohong Shari; Elliott, Douglas C.

    2012-06-19

    Novel methods of Fischer-Tropsch synthesis are described. It has been discovered that conducting the Fischer-Tropsch synthesis over a catalyst with a catalytically active surface layer of 35 microns or less results in a liquid hydrocarbon product with a high ratio of C.sub.5-C.sub.20:C.sub.20+. Descriptions of novel Fischer-Tropsch catalysts and reactors are also provided. Novel hydrocarbon compositions with a high ratio of C.sub.5-C.sub.20:C.sub.20+ are also described.

  1. Tailored Acicular Mullite Substrates for Multifunctional Diesel...

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

    SEM analysis showed that ACM DPF can be coated with relatively high catalyst washcoat without significantly affecting the porosity or pore size Therefore, it maintains a low back ...

  2. Tailored ion energy distributions on plasma electrodes

    SciTech Connect (OSTI)

    Economou, Demetre J.

    2013-09-15

    As microelectronic device features continue to shrink approaching atomic dimensions, control of the ion energy distribution on the substrate during plasma etching and deposition becomes increasingly critical. The ion energy should be high enough to drive ion-assisted etching, but not too high to cause substrate damage or loss of selectivity. In many cases, a nearly monoenergetic ion energy distribution (IED) is desired to achieve highly selective etching. In this work, the author briefly reviews: (1) the fundamentals of development of the ion energy distribution in the sheath and (2) methods to control the IED on plasma electrodes. Such methods include the application of “tailored” voltage waveforms on an electrode in continuous wave plasmas, or the application of synchronous bias on a “boundary electrode” during a specified time window in the afterglow of pulsed plasmas.

  3. Tailored Materials for Advanced CIDI Engines

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  4. Tomographic imaging of nonsymmetric multicomponent tailored supersonic...

    Office of Scientific and Technical Information (OSTI)

    Additional Journal Information: Journal Volume: 54; Journal Issue: 11; Journal ID: ISSN 0003-6935 Publisher: Optical Society of America Sponsoring Org: USDOE Country of ...

  5. Linear nozzle with tailored gas plumes

    DOE Patents [OSTI]

    Leon, David D.; Kozarek, Robert L.; Mansour, Adel; Chigier, Norman

    2001-01-01

    There is claimed a method for depositing fluid material from a linear nozzle in a substantially uniform manner across and along a surface. The method includes directing gaseous medium through said nozzle to provide a gaseous stream at the nozzle exit that entrains fluid material supplied to the nozzle, said gaseous stream being provided with a velocity profile across the nozzle width that compensates for the gaseous medium's tendency to assume an axisymmetric configuration after leaving the nozzle and before reaching the surface. There is also claimed a nozzle divided into respective side-by-side zones, or preferably chambers, through which a gaseous stream can be delivered in various velocity profiles across the width of said nozzle to compensate for the tendency of this gaseous medium to assume an axisymmetric configuration.

  6. Linear nozzle with tailored gas plumes

    DOE Patents [OSTI]

    Kozarek, Robert L.; Straub, William D.; Fischer, Joern E.; Leon, David D.

    2003-01-01

    There is claimed a method for depositing fluid material from a linear nozzle in a substantially uniform manner across and along a surface. The method includes directing gaseous medium through said nozzle to provide a gaseous stream at the nozzle exit that entrains fluid material supplied to the nozzle, said gaseous stream being provided with a velocity profile across the nozzle width that compensates for the gaseous medium's tendency to assume an axisymmetric configuration after leaving the nozzle and before reaching the surface. There is also claimed a nozzle divided into respective side-by-side zones, or preferably chambers, through which a gaseous stream can be delivered in various velocity profiles across the width of said nozzle to compensate for the tendency of this gaseous medium to assume an axisymmetric configuration.

  7. Directionally-Tailored Infrared Emission. AFRL STTR Program

    SciTech Connect (OSTI)

    Burckel, David Bruce; Peters, David W.; Davids, Paul; Resnick, Paul J.; Clem, Paul G.; Ginn, James; Figueiredo, Pedro; Shelton, David

    2015-10-30

    The purpose of this program is to investigate emissive metamaterials (EMM) as a path to realizing surfaces with directional absorption/emission.

  8. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    of the electron bunch with about the same duration as the laser pulse. This causes a dispersion of the electron trajectories, and the bunch develops a hole that emits short pulses...

  9. Self-Assembling Process for Fabricating Tailored Thin Films

    ScienceCinema (OSTI)

    None

    2010-01-08

    A simple, economical nanotechnology coating process that enables the development of nanoparticle thin films with architectures and properties unattainable by any other processing method. 2007 R&D 100 winner (SAND2007-1878P)

  10. Self-Assembling Process for Fabricating Tailored Thin Films

    ScienceCinema (OSTI)

    Sandia

    2009-09-01

    A simple, economical nanotechnology coating process that enables the development of nanoparticle thin films with architectures and properties unattainable by any other processing method. 2007 R&D 100 winner (SAND2007-1878P)

  11. Laser beam temporal and spatial tailoring for laser shock processing

    DOE Patents [OSTI]

    Hackel, Lloyd; Dane, C. Brent

    2001-01-01

    Techniques are provided for formatting laser pulse spatial shape and for effectively and efficiently delivering the laser energy to a work surface in the laser shock process. An appropriately formatted pulse helps to eliminate breakdown and generate uniform shocks. The invention uses a high power laser technology capable of meeting the laser requirements for a high throughput process, that is, a laser which can treat many square centimeters of surface area per second. The shock process has a broad range of applications, especially in the aerospace industry, where treating parts to reduce or eliminate corrosion failure is very important. The invention may be used for treating metal components to improve strength and corrosion resistance. The invention has a broad range of applications for parts that are currently shot peened and/or require peening by means other than shot peening. Major applications for the invention are in the automotive and aerospace industries for components such as turbine blades, compressor components, gears, etc.

  12. High-Pressure Tailored Compression: Controlled Thermodynamic Paths

    SciTech Connect (OSTI)

    Nguyen, J H; Orlikowski, D; Streitz, F H; Moriarty, J A; Holmes, N C

    2005-10-21

    We have recently carried out novel and exploratory dynamic experiments where the sample follows a prescribed thermodynamic path. In typical dynamic compression experiments, the samples are thermodynamically limited to the principal Hugoniot or quasi-isentrope. With recent developments in the functionally graded material impactor, we can prescribe and shape the applied pressure profile with similarly-shaped, non-monotonic impedance profile in the impactor. Previously inaccessible thermodynamic states beyond the quasi-isentropes and Hugoniot can now be reached in dynamic experiments with these impactors. In the light gas-gun experiments on copper reported here, we recorded the particle velocities of the Cu-LiF interfaces and employed hydrodynamic simulations to relate them to the thermodynamic phase diagram. Peak pressures for these experiments were on the order of megabars, and the time-scales ranged from nanoseconds to several microseconds. The strain rates of the quasi-isentropic experiments are approximately 10{sup 4} s{sup -1} to 10{sup 6} s{sup -1} in samples with thicknesses up to 5 mm. Though developed at a light-gas gun facility, such shaped pressure-profiles are also feasible in principle with laser ablation or magnetic driven compression techniques allowing for new directions to be taken in high pressure physics.

  13. Building a road map for tailoring multilayer polyelectrolyte...

    Office of Scientific and Technical Information (OSTI)

    ... salt (i.e., conditions that imitate real life) can compromise this film layering, as the ... of the layered films exhibits the quality of the layering, in particular the ...

  14. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    The technique allows tremendous flexibility in shaping the terahertz pulses by appropriate modulation of the laser pulse. The electromagnetic spectrum. The scarcity of intense ...

  15. HIPed Tailored Ceramic Waste Forms for the Immobilization of...

    Office of Scientific and Technical Information (OSTI)

    An important element of this initiative is the separation of key radionuclides . One of the systems being developed to separate key radionuclides is the UREX+1 process. The Tc and ...

  16. Tailored Terahertz Pulses from a Laser-Modulated Electron Beam

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

    in shaping the terahertz pulses by appropriate modulation of the laser pulse. The electromagnetic spectrum. The scarcity of intense broadband sources of radiation in the...

  17. Engineering Property Prediction Tools for Tailored Polymer Composite Structures (49465)

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Kunc, Vlastimil

    2009-12-29

    Process and constitutive models as well as characterization tools and testing methods were developed to determine stress-strain responses, damage development, strengths and creep of long-fiber thermoplastics (LFTs). The developed models were implemented in Moldflow and ABAQUS and have been validated against LFT data obtained experimentally.

  18. Tailored Working Fluids for Enhanced Binary Geothermal Power Plants

    SciTech Connect (OSTI)

    Mahmoud, Ahmad

    2013-01-29

    United Technologies Research Center (UTRC), in collaboration with the Georgia Institute of Technology and the National Institute of Standards and Technology will evaluate and develop fundamental and component level models, conduct experiments and generate data to support the use of mixed or enhanced working fluids for geothermal power generation applications.

  19. Understanding and Tailoring Metal-Support Interactions in Heterogeneou...

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

    an archetypical catalyst used for a variety of applications, including fuel cells, electrolyzers, and processes involved in the production of renewable chemicals. Unfortunately,...

  20. Phased laser array with tailored spectral and coherence properties

    DOE Patents [OSTI]

    Messerly, Michael J; Dawson, Jay W; Beach, Raymond J

    2014-05-20

    Architectures for coherently combining an array of fiber-based lasers are provided. By matching their lengths to within a few integer multiples of a wavelength, the spatial and temporal properties of a single large laser are replicated, while extending the average or peak pulsed power limit.

  1. Tailoring the slow light behavior in terahertz metasurfaces ...

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 22398985 Resource Type: Journal Article Resource Relation: Journal Name: Applied Physics Letters; Journal Volume: 106; Journal Issue: 18; Other Information: (c) ...

  2. Tailoring femtosecond laser pulse filamentation using plasma photonic lattices

    SciTech Connect (OSTI)

    Suntsov, Sergiy; Abdollahpour, Daryoush; Panagiotopoulos, Paris; Papazoglou, Dimitrios G.; Tzortzakis, Stelios; Couairon, Arnaud

    2013-07-08

    We demonstrate experimentally that by using transient plasma photonic lattices, the attributes of intense femtosecond laser filaments, such as peak intensity and length, can be dynamically controlled. The extended plasma lattice structure is generated using two co-propagating non-diffracting intense Bessel beams in water. The use of such transient lattice structures to control the competition between linear and nonlinear effects involved in filamentation opens the way for extensive control of the filamentation process.

  3. High Strength, Dissimilar Alloy Aluminum Tailor-Welded Blanks

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

    ... 2000 RPM, 332C 5mmin, 2500 RPM, 341C 6mmin, 2500 RPM, 318C Technical ... applied 2 mm to 1 mm thicknesses 1 corner with 50 mm radius 2 corners with 60 mm ...

  4. Tailored semiconducting carbon nanotube networks with enhanced thermoelectric properties

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

    Avery, Azure D.; Zhou, Ben H.; Lee, Jounghee; Lee, Eui -Sup; Miller, Elisa M.; Ihly, Rachelle; Wesenberg, Devin; Mistry, Kevin S.; Guillot, Sarah L.; Zink, Barry L.; et al

    2016-04-04

    Thermoelectric power generation, allowing recovery of part of the energy wasted as heat, is emerging as an important component of renewable energy and energy efficiency portfolios. Although inorganic semiconductors have traditionally been employed in thermoelectric applications, organic semiconductors garner increasing attention as versatile thermoelectric materials. Here we present a combined theoretical and experimental study suggesting that semiconducting single-walled carbon nanotubes with carefully controlled chirality distribution and carrier density are capable of large thermoelectric power factors, higher than 340 μW m-1 K-2, comparable to the best-performing conducting polymers and larger than previously observed for carbon nanotube films. Furthermore, we demonstrate thatmore » phonons are the dominant source of thermal conductivity in the networks, and that our carrier doping process significantly reduces the thermal conductivity relative to undoped networks. As a result, these findings provide the scientific underpinning for improved functional organic thermoelectric composites with carbon nanotube inclusions.« less

  5. Semiconductor laser devices having lateral refractive index tailoring

    DOE Patents [OSTI]

    Ashby, Carol I. H.; Hadley, G. Ronald; Hohimer, John P.; Owyoung, Adelbert

    1990-01-01

    A broad-area semiconductor laser diode includes an active lasing region interposed between an upper and a lower cladding layer, the laser diode further comprising structure for controllably varying a lateral refractive index profile of the diode to substantially compensate for an effect of junction heating during operation. In embodiments disclosed the controlling structure comprises resistive heating strips or non-radiative linear junctions disposed parallel to the active region. Another embodiment discloses a multi-layered upper cladding region selectively disordered by implanted or diffused dopant impurities. Still another embodiment discloses an upper cladding layer of variable thickness that is convex in shape and symmetrically disposed about a central axis of the active region. The teaching of the invention is also shown to be applicable to arrays of semiconductor laser diodes.

  6. Aluminum Tailor-Welded Blanks for High Volume Automotive Applications

    SciTech Connect (OSTI)

    Hovanski, Yuri; Upadhyay, Piyush; Pilli, Siva Prasad; Carlson, Blair; Carsley, John; Hartfield-Wunsch, Susan; Eisenmenger, Mark

    2014-02-04

    A Design of Experiment based approach is used to systematically investigate relationships between 8 different welding factors (4 related to tool geometry, 4 related to weld process control) and resulting weld properties including strength, elongation and formability in 1.2mm-2mm thick friction stir welding of AA5182-O for TWB application. The factors that result in most significant effects are elucidated. The interactions between several key factors like plunge depth, tool tilt, pin feature and pin length on the overall weld quality is discussed. Appropriate levels of factors that lead to excellent weld properties are also identified.

  7. New system enables fleets to tailor maintenance programs

    SciTech Connect (OSTI)

    Fiscor, S.

    2007-08-15

    The Lubrizol Corporation has developed FluiPak and FluiPak Lite systems to pull engine oils and sample them continuously, helping to maintain mining equipment between oil change intervals. The FluiPak system has a control box, a sensor box and a reserve system. FluiPak Lite is simply a cut-down version of FluiPak. The article explains how the system works to detect in real time oil quality and contaminants and hence optimize drain intervals and also prolong engine component life and reduce waste oil disposal costs. 100 units are currently installed in coal operations. 5 figs., 5 photos.

  8. HIPed Tailored Ceramic Waste Forms for the Immobilization of...

    Office of Scientific and Technical Information (OSTI)

    Experimental data on the immobilization of Tc in titanate ceramics containing up to 40wt% TcO2 are also be presented. Authors: Melody L. Carter ; Martin W. A. Stewart ; Eric R. ...

  9. Phased laser array with tailored spectral and coherence properties

    DOE Patents [OSTI]

    Messerly, Michael J; Dawson, Jay W; Beach, Raymond J

    2011-03-29

    Architectures for coherently combining an array of fiber-based lasers are provided. By matching their lengths to within a few integer multiples of a wavelength, the spatial and temporal properties of a single large laser are replicated, while extending the average or peak pulsed power limit.

  10. High Speed Joining of Dissimilar Alloy Aluminum Tailor Welded...

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

    ... Evaluate the performance of best in class laser, laserhybrid and friction stir welding ... on geometric weld quality criteria, surface finish and formability Sept 2013 Progress ...

  11. Understand morphology of organic semiconductors, for better tailoring...

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

    for energy related applications. References: 1 H. Yan, B. A. Collins, E. Gann, C. Wang, H. Ade, and C. R. McNeill, ACS Nano 6, 677 (2012). 2 B. A. Collins, J. E. Cochran,...

  12. Engineering Property Prediction Tools for Tailored Polymer Composite Structures

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  13. Engineering Property Prediction Tools for Tailored Polymer Composite Structures

    Broader source: Energy.gov [DOE]

    2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  14. Tailored Materials for Advanced CIDI Engines | Department of Energy

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

    Table of Contents 1. Physical Security .............................................................................................................................. 1-1 101. Headquarters Security Badges ........................................................................................ 101-1 102. HSPD-12 Badges and the PIV Process ........................................................................... 102-1 103. Prohibited Articles

  15. Multi-functional carbon nanomaterials: Tailoring morphology for multidisciplinary applications

    SciTech Connect (OSTI)

    Dervishi, Enkeleda

    2015-05-14

    Carbon based nanomaterials are being developed to have many new properties and applications. Graphene, is a mono-layer 2D atomic thick structure formed from hexagons of carbon atoms bound together by sp^2hybrid bonds. A carbon nanotube (CNT) can be viewed as a sheet of graphene rolled up into a cylinder, usually 1-2 nanometers in diameter and a few microns thick. A few applications of graphene and carbon nanotubes include the development of Nanoelectronics, nanocomposite materials, Hydrogen storage and Li⁺ battery, etc.

  16. Tailored Ink For Piston-Driven Electrostatic Liquid Drop Modulator

    DOE Patents [OSTI]

    Wong, Raymond W.; Breton, Marcel P.; Bedford, Christine E.; Carreira, Leonard M.; Gooray, Arthur M.; Roller, George J.; Zavadil, Kevin; Galambos, Paul; Crowley, Joseph

    2005-04-19

    The present invention relates to an ink composition including water, a solvent, a solvent-soluble dye, and a surfactant, where the ink exhibits a stable liquid microemulsion phase at a first temperature and a second temperature higher than the first temperature and has a conductivity of at most about 200 .mu.S/cm and a dielectric constant of at least about 60, and methods of making such ink compositions. The present invention also relates to a method of making an ink composition for use in a microelectromechanical system-based fluid ejector. The method involves providing a solution or dispersion including a dye or a pigment and adding to the solution or dispersion an additive which includes a material that enhances dielectric permittivity and/or reduces conductivity under conditions effective to produce an ink composition having a conductivity of at most about 200 .mu.S/cm and a dielectric constant of at least about 60.

  17. Linear nozzle with tailored gas plumes and method

    DOE Patents [OSTI]

    Leon, David D.; Kozarek, Robert L.; Mansour, Adel; Chigier, Norman

    1999-01-01

    There is claimed a method for depositing fluid material from a linear nozzle in a substantially uniform manner across and along a surface. The method includes directing gaseous medium through said nozzle to provide a gaseous stream at the nozzle exit that entrains fluid material supplied to the nozzle, said gaseous stream being provided with a velocity profile across the nozzle width that compensates for the gaseous medium's tendency to assume an axisymmetric configuration after leaving the nozzle and before reaching the surface. There is also claimed a nozzle divided into respective side-by-side zones, or preferably chambers, through which a gaseous stream can be delivered in various velocity profiles across the width of said nozzle to compensate for the tendency of this gaseous medium to assume an axisymmetric configuration.

  18. Highly Ordered Tailored Three-Dimensional Hierarchical Porous...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Advanced Functional Materials; Related Information: Proposed for publication in Advanced Functional Materials. Research Org: Sandia National ...

  19. Engineering Property Prediction Tools for Tailored Polymer Composite...

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

    Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. lm11smith.pdf (1.96 MB) More Documents & Publications Engineering Property Prediction Tools for ...

  20. Public Housing: A Tailored Approach to Energy Retrofits

    SciTech Connect (OSTI)

    Dentz, Jordan; Conlin, Francis; Podorson, David; Alaigh, Kunal

    2014-06-01

    More than 1 million HUD-supported public housing units provide rental housing for eligible low-income families across the country. A survey of over 100 public housing authorities (PHAs) across the country indicated that there is a high level of interest in developing low-cost solutions that improve energy efficiency and can be seamlessly included in the refurbishment process. Further, PHAs, have incentives (both internal and external) to reduce utility bills. ARIES worked with two PHAs to develop packages of energy efficiency retrofit measures the PHAs can cost effectively implement with their own staffs in the normal course of housing operations when units are refurbished between occupancies. The energy efficiency turnover protocols emphasized air infiltration reduction, duct sealing and measures that improve equipment efficiency. ARIES documented implementation 10 ten housing units. Total source energy consumption savings was estimated at 6%-10% based on BEopt modeling with a simple payback of 1.7 to 2.2 years. At typical housing unit turnover rates, these measures could impact hundreds of thousands of units per year nationally.

  1. Public Housing: A Tailored Approach to Energy Retrofits

    SciTech Connect (OSTI)

    Dentz, J.; Conlin, F.; Podorson, D.; Alaigh, K.

    2014-06-01

    Over one million HUD-supported public housing units provide rental housing for eligible low-income families across the country. A survey of over 100 PHAs across the country indicated that there is a high level of interest in developing low cost solutions that improve energy efficiency and can be seamlessly included in the refurbishment process. Further, PHAs, have incentives (both internal and external) to reduce utility bills. ARIES worked with two public housing authorities (PHAs) to develop packages of energy efficiency retrofit measures the PHAs can cost effectively implement with their own staffs in the normal course of housing operations at the time when units are refurbished between occupancies. The energy efficiency turnover protocols emphasized air infiltration reduction, duct sealing and measures that improve equipment efficiency. ARIES documented implementation in ten housing units. Reductions in average air leakage were 16-20% and duct leakage reductions averaged 38%. Total source energy consumption savings was estimated at 6-10% based on BEopt modeling with a simple payback of 1.7 to 2.2 years. Implementation challenges were encountered mainly related to required operational changes and budgetary constraints. Nevertheless, simple measures can feasibly be accomplished by PHA staff at low or no cost. At typical housing unit turnover rates, these measures could impact hundreds of thousands of unit per year nationally.

  2. Alloys in energy development

    SciTech Connect (OSTI)

    Frost, B.R.T.

    1984-02-01

    The development of new and advanced energy systems often requires the tailoring of new alloys or alloy combinations to meet the novel and often stringent requirements of those systems. Longer life at higher temperatures and stresses in aggressive environments is the most common goal. Alloy theory helps in achieving this goal by suggesting uses of multiphase systems and intermediate phases, where solid solutions were traditionally used. However, the use of materials under non-equilibrium conditions is now quite common - as with rapidly solidified metals - and the application of alloy theory must be modified accordingly. Under certain conditions, as in a reactor core, the rate of approach to equilibrium will be modified; sometimes a quasi-equilibrium is established. Thus an alloy may exhibit enhanced general diffusion at the same time as precipitate particles are being dispersed and solute atoms are being carried to vacancy sinks. We are approaching an understanding of these processes and can begin to model these complex systems.

  3. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

    SciTech Connect (OSTI)

    Zhang, Yanwen; Stocks, George Malcolm; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Sales, Brian C.; Wang, Lumin; Béland, Laurent K.; Stoller, Roger E.; Samolyuk, German D.; Caro, Magdalena; Caro, Alfredo; Weber, William J.

    2015-10-28

    A long-standing objective in materials research is to understand how energy is dissipated in both the electronic and atomic subsystems in irradiated materials, and how related non-equilibrium processes may affect defect dynamics and microstructure evolution. Here we show that alloy complexity in concentrated solid solution alloys having both an increasing number of principal elements and altered concentrations of specific elements can lead to substantial reduction in the electron mean free path and thermal conductivity, which has a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Enhanced radiation resistance with increasing complexity from pure nickel to binary and to more complex quaternary solid solutions is observed under ion irradiation up to an average damage level of 1 displacement per atom. Understanding how materials properties can be tailored by alloy complexity and their influence on defect dynamics may pave the way for new principles for the design of radiation tolerant structural alloys.

  4. Implementation of New Process Models for Tailored Polymer Composite Structures into Processing Software Packages

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Phelps, Jay; Tucker III, Charles L.; Kunc, Vlastimil; Bapanapalli, Satish K.; Smith, Mark T.

    2010-02-23

    This report describes the work conducted under the Cooperative Research and Development Agreement (CRADA) (Nr. 260) between the Pacific Northwest National Laboratory (PNNL) and Autodesk, Inc. to develop and implement process models for injection-molded long-fiber thermoplastics (LFTs) in processing software packages. The structure of this report is organized as follows. After the Introduction Section (Section 1), Section 2 summarizes the current fiber orientation models developed for injection-molded short-fiber thermoplastics (SFTs). Section 3 provides an assessment of these models to determine their capabilities and limitations, and the developments needed for injection-molded LFTs. Section 4 then focuses on the development of a new fiber orientation model for LFTs. This model is termed the anisotropic rotary diffusion - reduced strain closure (ARD-RSC) model as it explores the concept of anisotropic rotary diffusion to capture the fiber-fiber interaction in long-fiber suspensions and uses the reduced strain closure method of Wang et al. to slow down the orientation kinetics in concentrated suspensions. In contrast to fiber orientation modeling, before this project, no standard model was developed to predict the fiber length distribution in molded fiber composites. Section 5 is therefore devoted to the development of a fiber length attrition model in the mold. Sections 6 and 7 address the implementations of the models in AMI, and the conclusions drawn from this work is presented in Section 8.

  5. Tailored Materials for Improved Internal Combustion Engine Efficiency (Agreement ID:23725)

    Broader source: Energy.gov [DOE]

    2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  6. Marketing_to_Win_How_to_Identify_the_Real_Decision_makers_and_Tailor_Your_Message

    Office of Environmental Management (EM)

    Marcus Jadotte About Us Marcus Jadotte - Assistant Secretary for Industry and Analysis at the International Trade Administration, U.S. Department of Commerce Marcus Jadotte was confirmed on December 16, 2014 by the United States Senate to serve as President Obama's Assistant Secretary of Commerce for Industry & Analysis for the International Trade Administration at the United States Department of Commerce. Jadotte serves as the Department's primary liaison with U.S. industry and trade

  7. Tailoring the physical properties of Ni-based single-phase equiatomic...

    Office of Scientific and Technical Information (OSTI)

    Authors: Jin, Ke 1 ; Sales, Brian C 1 ; Stocks, George Malcolm 1 ; Samolyuk, German D. 1 ; Daene, Markus 2 ; Weber, William J. 3 ; Zhang, Yanwen 3 ; Bei, Hongbin 1 ...

  8. A family of peroxo-titanate materials tailored for optimal strontium...

    Office of Scientific and Technical Information (OSTI)

    DOE Contract Number: AC04-94AL85000 Resource Type: Journal Article Resource Relation: Journal Name: Proposed for presentation at the Chemistry of Materials. Research Org: Sandia ...

  9. Magnetic properties of granular CoCrPt:SiO{sub 2} films as tailored...

    Office of Scientific and Technical Information (OSTI)

    Ion irradiation simulations suggest that this is caused by strong intermixing at the grain and layer interfaces. Authors: Tibus, Stefan ; Springer, Felix 1 ; Institute of ...

  10. Vehicle Technologies Office Merit Review 2015: Tailored Materials for Improved Internal Combustion Engine Efficiency

    Broader source: Energy.gov [DOE]

    Presentation given by Pacific Northwest National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about...

  11. Computational modeling of Krypton gas puffs with tailored mass density profiles on Z

    SciTech Connect (OSTI)

    Jennings, Christopher A.; Ampleford, David J.; Lamppa, Derek C.; Hansen, Stephanie B.; Jones, Brent Manley; Harvey-Thompson, Adam James; Jobe, Marc Ronald Lee; Reneker, Joseph; Rochau, Gregory A.; Cuneo, Michael Edward; Strizic, T.

    2015-05-18

    Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiative output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.

  12. Relaxed active space: Fixing tailored-CC with high order coupled cluster. II

    SciTech Connect (OSTI)

    Melnichuk, Ann Bartlett, Rodney J.

    2014-02-14

    Due to the steep increase in computational cost with the inclusion of higher-connected cluster operators in coupled-cluster applications, it is usually not practical to use such methods for larger systems or basis sets without an active space partitioning. This study generates an active space subject to unambiguous statistical criteria to define a space whose size permits treatment at the CCSDT level. The automated scheme makes it unnecessary for the user to judge whether a chosen active space is sufficient to correctly solve the problem. Two demanding applications are presented: twisted ethylene and the transition states for the bicyclo[1,1,0]butane isomerization. As bi-radicals both systems require at least a CCSDT level of theory for quantitative results, for the geometries and energies.

  13. Computational modeling of Krypton gas puffs with tailored mass density profiles on Z.

    SciTech Connect (OSTI)

    Jennings, Christopher A.; Ampleford, David J.; Lamppa, Derek C.; Hansen, Stephanie B.; Jones, Brent Manley; Harvey-Thompson, Adam James; Jobe, Marc Ronald Lee; Reneker, Joseph; Rochau, Gregory A.; Cuneo, Michael Edward; Strizic, T.

    2015-05-18

    Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiative output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.

  14. Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures

    SciTech Connect (OSTI)

    Schatz, George; Ratner, Mark

    2014-02-27

    This report describes research by George Schatz and Mark Ratner that was done over the period 10/03-5/09 at Northwestern University. This research project was part of a larger research project with the same title led by Stephen Gray at Argonne. A significant amount of our work involved collaborations with Gray, and there were many joint publications as summarized later. In addition, a lot of this work involved collaborations with experimental groups at Northwestern, Argonne, and elsewhere. The research was primarily concerned with developing theory and computational methods that can be used to describe the interaction of light with noble metal nanoparticles (especially silver) that are capable of plasmon excitation. Classical electrodynamics provides a powerful approach for performing these studies, so much of this research project involved the development of methods for solving Maxwell’s equations, including both linear and nonlinear effects, and examining a wide range of nanostructures, including particles, particle arrays, metal films, films with holes, and combinations of metal nanostructures with polymers and other dielectrics. In addition, our work broke new ground in the development of quantum mechanical methods to describe plasmonic effects based on the use of time dependent density functional theory, and we developed new theory concerned with the coupling of plasmons to electrical transport in molecular wire structures. Applications of our technology were aimed at the development of plasmonic devices as components of optoelectronic circuits, plasmons for spectroscopy applications, and plasmons for energy-related applications.

  15. Enhancing ionic conductivity of bulk single-crystal yttria-stabilized zirconia by tailoring dopant distribution

    SciTech Connect (OSTI)

    Lee, E.; Prinz, F. B.; Cai, W.

    2011-02-11

    We present an ab initiobased kinetic Monte Carlo model for ionic conductivity in single-crystal yttria-stabilized zirconia. Ionic interactions are taken into account by combining density functional theory calculations and the cluster expansion method and are found to be essential in reproducing the effective activation energy observed in experiments. The model predicts that the effective energy barrier can be reduced by 0.150.25 eV by arranging the dopant ions into a superlattice.

  16. Tailoring next-generation biofuels and their combustion in next-generation engines.

    SciTech Connect (OSTI)

    Gladden, John Michael; Wu, Weihua; Taatjes, Craig A.; Scheer, Adam Michael; Turner, Kevin M.; Yu, Eizadora T.; O'Bryan, Greg; Powell, Amy Jo; Gao, Connie W.

    2013-11-01

    Increasing energy costs, the dependence on foreign oil supplies, and environmental concerns have emphasized the need to produce sustainable renewable fuels and chemicals. The strategy for producing next-generation biofuels must include efficient processes for biomass conversion to liquid fuels and the fuels must be compatible with current and future engines. Unfortunately, biofuel development generally takes place without any consideration of combustion characteristics, and combustion scientists typically measure biofuels properties without any feedback to the production design. We seek to optimize the fuel/engine system by bringing combustion performance, specifically for advanced next-generation engines, into the development of novel biosynthetic fuel pathways. Here we report an innovative coupling of combustion chemistry, from fundamentals to engine measurements, to the optimization of fuel production using metabolic engineering. We have established the necessary connections among the fundamental chemistry, engine science, and synthetic biology for fuel production, building a powerful framework for co-development of engines and biofuels.

  17. Manganese Doping of Magnetic Iron Oxide Nanoparticles: Tailoring Surface Reactivity for a Regenerable Heavy Metal Sorbent

    SciTech Connect (OSTI)

    Warner, Cynthia L.; Chouyyok, Wilaiwan; Mackie, Katherine E.; Neiner, Doinita; Saraf, Laxmikant; Droubay, Timothy C.; Warner, Marvin G.; Addleman, Raymond S.

    2012-02-28

    A method for tuning the analyte affinity of magnetic, inorganic nanostructured sorbents for heavy metal contaminants is described. The manganese-doped iron oxide nanoparticle sorbents have a remarkably high affinity compared to the precursor material. Sorbent affinity can be tuned toward an analyte of interest simply by adjustment of the dopant quantity. The results show that following the Mn doping process there is a large increase in affinity and capacity for heavy metals (i.e., Co, Ni, Zn, As, Ag, Cd, Hg, and Tl). Capacity measurements were carried out for the removal of cadmium from river water and showed significantly higher loading than the relevant commercial sorbents tested for comparison. The reduction in Cd concentration from 100 ppb spiked river water to 1 ppb (less than the EPA drinking water limit of 5 ppb for Cd) was achieved following treatment with the Mn-doped iron oxide nanoparticles. The Mn-doped iron oxide nanoparticles were able to load 1 ppm of Cd followed by complete stripping and recovery of the Cd with a mild acid wash. The Cd loading and stripping is shown to be consistent through multiple cycles with no loss of sorbent performance.

  18. Toward tailorable surfaces: A combined theoretical and experimental study of lanthanum niobate layered perovskites

    SciTech Connect (OSTI)

    Di Tommaso, Stefania E-mail: frederic.labat@chimie-paristech.fr; Giannici, Francesco; Mossuto Marculescu, Adriana; Martorana, Antonino; Adamo, Carlo; Labat, Frdric E-mail: frederic.labat@chimie-paristech.fr

    2014-07-14

    A comprehensive theoretical investigation of the MLaNb{sub 2}O{sub 7} (M = H, Li, Na, K, Rb, and Cs) series of ion-exchangeable layered perovskite is presented. These perovskites are in particular interesting in view of their potential applications as inorganic supports for the design of new hybrid inorganic-organic proton conductors. In particular, their structural and electronic properties have been investigated by periodic calculations in the framework of Density Functional Theory, using different exchange-correlation functionals. A general very good agreement with the available experimental (XRD, NPD, and EXAFS) data has been found. The structure of the protonated HLaNb{sub 2}O{sub 7} form has also been further clarified and a new tetragonal space group is proposed for this compound, better reproducing the experimental cell parameters and yielding to a more realistic picture of the system. The electronic investigation highlighted that all the compounds considered are very similar to each other and that the interaction between interlayer cations and perovskite slabs is purely ionic, except for the proton that is, instead, covalently bound.

  19. Band-gap tailoring of ZnO by means of heavy Al doping

    SciTech Connect (OSTI)

    Sernelius, B.E.; Berggren, K.; Jin, Z.; Hamberg, I.; Granqvist, C.G.

    1988-06-15

    Films of ZnO:Al were produced by weakly reactive dual-target magnetron sputtering. Optical band gaps, evaluated from spectrophotometric data, were widened in proportion to the Al doping. The widening could be quantitatively reconciled with an effective-mass model for n-doped semiconductors, provided the polar character of ZnO was accounted for.

  20. Tailored fatty acid synthesis via dynamic control of fatty acid elongation

    SciTech Connect (OSTI)

    Torella, JP; Ford, TJ; Kim, SN; Chen, AM; Way, JC; Silver, PA

    2013-07-09

    Medium-chain fatty acids (MCFAs, 4-12 carbons) are valuable as precursors to industrial chemicals and biofuels, but are not canonical products of microbial fatty acid synthesis. We engineered microbial production of the full range of even-and odd-chain-length MCFAs and found that MCFA production is limited by rapid, irreversible elongation of their acyl-ACP precursors. To address this limitation, we programmed an essential ketoacyl synthase to degrade in response to a chemical inducer, thereby slowing acyl-ACP elongation and redirecting flux from phospholipid synthesis to MCFA production. Our results show that induced protein degradation can be used to dynamically alter metabolic flux, and thereby increase the yield of a desired compound. The strategy reported herein should be widely useful in a range of metabolic engineering applications in which essential enzymes divert flux away from a desired product, as well as in the production of polyketides, bioplastics, and other recursively synthesized hydrocarbons for which chain-length control is desired.

  1. Collimated proton acceleration in light sail regime with a tailored pinhole target

    SciTech Connect (OSTI)

    Wang, H. Y.; Zepf, M.; Yan, X. Q.

    2014-06-15

    A scheme for producing collimated protons from laser interactions with a diamond-like-carbon?+?pinhole target is proposed. The process is based on radiation pressure acceleration in the multi-species light-sail regime [B. Qiao et al., Phys. Rev. Lett. 105, 155002 (2010); T. P. Yu et al., Phys. Rev. Lett. 105, 065002 (2010)]. Particle-in-cell simulations demonstrate that transverse quasistatic electric field at TV/m level can be generated in the pinhole. The transverse electric field suppresses the transverse expansion of protons effectively, resulting in a higher density and more collimated proton beam compared with a single foil target. The dependence of the proton beam divergence on the parameters of the pinhole is also investigated.

  2. Vehicle Technologies Office Merit Review 2016: Active, Tailorable Adhesives for Dissimilar Material Bonding, Repair and Assembly

    Broader source: Energy.gov [DOE]

    Presentation given by Michigan State University at the 2016 DOE Vehicle Technologies Office and Hydrogen and Fuel Cells Program Annual Merit Review and Peer Evaluation Meeting about Lightweighting

  3. Computational modeling of Krypton gas puffs with tailored mass density profiles on Z

    SciTech Connect (OSTI)

    Jennings, C. A.; Ampleford, D. J.; Lamppa, D. C.; Hansen, S. B.; Jones, B.; Harvey-Thompson, A. J.; Jobe, M.; Strizic, T.; Reneker, J.; Rochau, G. A.; Cuneo, M. E.

    2015-05-15

    Large diameter multi-shell gas puffs rapidly imploded by high current (?20 MA, ?100?ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ?13?keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiative output from this combined system. Guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-RayleighTaylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.

  4. Risk and Vulnerability Assessment Using Cybernomic Computational Models: Tailored for Industrial Control Systems

    SciTech Connect (OSTI)

    Abercrombie, Robert K; Sheldon, Federick T.; Schlicher, Bob G

    2015-01-01

    There are many influencing economic factors to weigh from the defender-practitioner stakeholder point-of-view that involve cost combined with development/deployment models. Some examples include the cost of countermeasures themselves, the cost of training and the cost of maintenance. Meanwhile, we must better anticipate the total cost from a compromise. The return on investment in countermeasures is essentially impact costs (i.e., the costs from violating availability, integrity and confidentiality / privacy requirements). The natural question arises about choosing the main risks that must be mitigated/controlled and monitored in deciding where to focus security investments. To answer this question, we have investigated the cost/benefits to the attacker/defender to better estimate risk exposure. In doing so, it s important to develop a sound basis for estimating the factors that derive risk exposure, such as likelihood that a threat will emerge and whether it will be thwarted. This impact assessment framework can provide key information for ranking cybersecurity threats and managing risk.

  5. Tailoring of absorption edge by thermal annealing in tin oxide thin films

    SciTech Connect (OSTI)

    Thakur, Anup; Gautam, Sanjeev; Kumar, Virender; Chae, K. H.; Lee, Ik-Jae; Shin, Hyun Joon

    2015-05-15

    Tin oxide (SnO{sub 2}) thin films were deposited by radio-frequency (RF) magnetron sputtering on silicon and glass substrates in different oxygen-to-argon gas-flow ratio (O{sub 2}-to-Ar = 0%, 10%, 50%). All films were deposited at room temperature and fixed working pressures, 10 mTorr. The X-ray diffraction (XRD) measurement suggests that all films were crystalline in nature except film deposited in argon environment. Thin films were annealed in air at 200 C, 400 C and 600 C for two hours. All films were highly transparent except the film deposited only in the argon environment. It was also observed that transparency was improved with annealing due to decrease in oxygen vacancies. Atomic force microscopy (AFM), results showed that the surface of all the films were highly flat and smooth. Blue shift was observed in the absorption edge with annealing temperature. It was also observed that there was not big change in the absorption edge with annealing for films deposited in 10% and 50% oxygen-to-argon gas-flow ratio.

  6. (Bio)Chemical Tailoring of Biogenic 3-D Nanopatterned Templates with Energy-Relevant Functionalities

    SciTech Connect (OSTI)

    Sandhage, Kenneth H; Kroger, Nils

    2014-09-08

    The overall aim of this research has been to obtain fundamental understanding of (bio)chemical methodologies that will enable utilization of the unique 3-D nanopatterned architectures naturally produced by diatoms for the syntheses of advanced functional materials attractive for applications in energy harvesting/conversion and storage. This research has been conducted in three thrusts: Thrust 1 (In vivo immobilization of proteins in diatom biosilica) is directed towards elucidating the fundamental mechanism(s) underlying the cellular processes of in vivo immobilization of proteins in diatom silica. Thrust 2 (Shape-preserving reactive conversion of diatom biosilica into porous, high-surface area inorganic replicas) is aimed at understanding the fundamental mechanisms of shape preservation and nanostructural evolution associated with the reactive conversion and/or coating-based conversion of diatom biosilica templates into porous inorganic replicas. Thrust 3 (Immobilization of energy-relevant enzymes in diatom biosilica and onto diatom biosilica-derived inorganic replicas) involves use of the results from both Thrust 1 and 2 to develop strategies for in vivo and in vitro immobilization of enzymes in/on diatom biosilica and diatom biosilica-derived inorganic replicas, respectively. This Final Report describes progress achieved in all 3 of these thrusts.

  7. Computational modeling of Krypton gas puffs with tailored mass density profiles on Z

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

    Jennings, Christopher A.; Ampleford, David J.; Lamppa, Derek C.; Hansen, Stephanie B.; Jones, Brent Manley; Harvey-Thompson, Adam James; Jobe, Marc Ronald Lee; Reneker, Joseph; Rochau, Gregory A.; Cuneo, Michael Edward; et al

    2015-05-18

    Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiativemore » output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.« less

  8. Marketing to Win: How to Identify the Real Decision-maker and Tailor Your

    Energy Savers [EERE]

    Department of Energy March 5 & 6, 2012 Meeting of the Electricity Advisory Committee March 5 & 6, 2012 Meeting of the Electricity Advisory Committee March 5 & 6, 2012 Meeting of the Electricity Advisory Committee Date: Monday, March 5, 2012 2:00 p.m. - 5:00 p.m. EDT / Dutch Treat Dinner 6:00 p.m. - 8 p.m. Date: Tuesday, March 6, 2012 8:00 a.m. - 4:00 p.m. EDT Location: Ronald Reagan Building, Horizon Room, 1300 Pennsylvania Ave. NW, Washington, DC Overview The Department of

  9. Nuclear forward scattering vs. conventional Mossbauer studies of atomically tailored Eu-based materials.

    SciTech Connect (OSTI)

    Konjhodzic, A.; Adamczyk, A.; Hasan, Z.; Alp, E. E.; Sturhahn, W.; Zhao, J.; Carroll, J. J.; Vagizov, F.; Univ. of Philadelphia; Youngstown State Univ.

    2006-01-01

    With the decrease in size of devices, rapid characterization of nano-devices is an inevitable necessity. It is shown that Moessbauer spectroscopy using synchrotron radiation from the advanced photon source provides such a tool of investigation. Results are presented and compared for conventional Moessbauer and Nuclear Forward Scattering for {sup 151}Eu-doped magnesium sulfide as an example, especially at low concentrations.

  10. Solvent tailoring in coal liquefaction. Quarterly report, July-September 1983

    SciTech Connect (OSTI)

    Tarrer, A.R.; Curtis, C.W.; Guin, J.A.; Williams, D.C.

    1983-01-01

    A series of twenty-three aromatic compounds were ranked for their donor solvent efficacy for the dissolution of Western Kentucky No. 9/14 coal. The transfer of hydrogen from the solvent to the coal fragments, as measured by coal conversion, was examined at three levels of available hydrogen. The hydrogen donors are ranked according to their ability to convert coal to THF solubles. Aromatic analogs of the donors showed little ability to convert coal to THF solubles. Factors which influence hydrogen donation include the presence of heteroatoms or substituents both internal and external to the aromatic or hydroaromatic rings, the degree of hydrogenation, the aromaticity or nonaromaticity of the hydroaromatics, and the presence of five-membered rings. A relationship between heats of formation and hydrogen donor ability is shown for hydroaromatics within two ring or three ring homologous series. A model hydrogen acceptor, benzophenone, is also used to rank donors. No correlation exists in the ranking of hydrogen donors by the model acceptor used in this work and in other experimental studies and that obtained by conversion of Western Kentucky coal at typical liquefaction conditions. 24 references.

  11. Tailoring dye-sensitized upconversion nanoparticle excitation bands towards excitation wavelength selective imaging

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

    Wu, Xiang; Lee, Hyungseok; Bilsel, Osman; Zhang, Yuanwei; Li, Zhanjun; Chen, Teresa; Liu, Yi; Duan, Chunying; Shen, Jie; Punjabi, Amol; et al

    2015-01-01

    One of the key roadblocks in UCNP development is its extremely limited choices of excitation wavelengths. We report a generic design to program UCNPs to possess highly tunable dye characteristic excitation bands. Using such distinctive properties, we were able to develop a new excitation wavelength selective security imaging. Finally, this work unleashed the greater freedom of the excitation wavelengths of the upconversion nanoparticles and we believe it is a game-changer in the field and this method will enable numerous applications that are currently limited by existing UCNPs.

  12. Vehicle Technologies Office Merit Review 2016: Tailoring Spinel Electrodes for High Capacity Li-Ion Cells

    Broader source: Energy.gov [DOE]

    Presentation given by Argonne National Laboratory (ANL) at the 2016 DOE Vehicle Technologies Office and Hydrogen and Fuel Cells Program Annual Merit Review and Peer Evaluation Meeting about Batteries

  13. Tailoring the energy level alignment at the Co/Alq{sub 3} interface by controlled cobalt oxidation

    SciTech Connect (OSTI)

    Haag, Norman; Steil, Sabine; Großmann, Nicolas; Fetzer, Roman; Cinchetti, Mirko; Aeschlimann, Martin

    2013-12-16

    We have studied the influence of oxygen exposure at the prototypical interface between cobalt and the organic semiconductor tris(8-hydroxyquinoline)aluminum (III) (Alq{sub 3}) by photoemission spectroscopy. We find that oxidation of the cobalt leads to a gradual suppression of hybrid interface states, to a progressive change in the work function and to a continuous energetic shift of the molecular orbitals towards higher binding energies. Based on these observations, we propose controlled oxidation of the ferromagnetic electrode as an easy and effective possibility to tune the performance of organic spintronics devices.

  14. Tailoring the coercivity in ferromagnetic ZnO thin films by 3d and 4f elements codoping

    SciTech Connect (OSTI)

    Lee, J. J.; Xing, G. Z. Yi, J. B.; Li, S.; Chen, T.; Ionescu, M.

    2014-01-06

    Cluster free, Co (3d) and Eu (4f) doped ZnO thin films were prepared using ion implantation technique accompanied by post annealing treatments. Compared with the mono-doped ZnO thin films, the samples codoped with Co and Eu exhibit a stronger magnetization with a giant coercivity of 1200 Oe at ambient temperature. This was further verified through x-ray magnetic circular dichroism analysis, revealing the exchange interaction between the Co 3d electrons and the localized carriers induced by Eu{sup 3+} ions codoping. The insight gained with modulating coercivity in magnetic oxides opens up an avenue for applications requiring non-volatility in spintronic devices.

  15. Gasifier feed: Tailor-made from Illinois coals. Interim final technical report, September 1, 1991--August 31, 1992

    SciTech Connect (OSTI)

    Ehrlinger, H.P. III; Lytle, J.; Frost, R.R.; Lizzio, A.; Kohlenberger, L.; Brewer, K.

    1992-12-31

    The main purpose of this project is to produce a feedstock from preparation plant fines from an Illinois coal that is ideal for a slurry fed, slagging, entrained-flow coal gasifier. The high sulfur content and high Btu value of Illinois coals are particularly advantageous in such a gasifier; preliminary calculations indicate that the increased cost of removing sulfur from the gas from a high sulfur coal is more than offset by the increased revenue from the sale of the elemental sulfur; additionally the high Btu Illinois coal concentrates more energy into the slurry of a given coal to water ratio. The Btu is higher not only because of the higher Btu value of the coal but also because Illinois coal requires less water to produce a pumpable slurry than western coal, i.e., as little as 30--35% water may be used for Illinois coal as compared to approximately 45% for most western coals. Destec Energy, a wholly-owned subsidiary of Dow Chemical Company, will provide guidelines and test compatibility of the slurries developed for gasification feedstock. Williams Technologies, Inc., will provide their expertise in long distance slurry pumping, and test selected products for viscosity, pumpability, and handleability. The Illinois State Geological Survey will study methods for producing clean coal/water slurries from preparation plant wastes including the concentration of pyritic sulfur into the coal slurry to increase the revenue from elemental sulfur produced during gasification operations, and decrease the pyritic sulfur content of the waste streams. ISGS will also test the gasification reactivity of the coals.

  16. Gasifier feed: Tailor-made from Illinois coals. Final technical report, September 1, 1991--December 31, 1992

    SciTech Connect (OSTI)

    Ehrlinger, H.P. III; Lytle, J.M.; Frost, R.R.; Lizzio, A.A.; Kohlenberger, L.B.; Brewer, K.K. |||

    1992-12-31

    The main purpose of this project was to produce a feedstock from preparation plant fines from an Illinois (IL) coal that is ideal for a slurry fed, slagging, entrained-flow coal gasifier. The high-sulfur content and high-Btu value of IL coals are Particularly advantageous in such a gasifier; preliminary-calculations indicate that the increased cost of removing sulfur from the gas from a high-sulfur coal is more than offset b the increased revenue from the sale of the elemental sulfur; additionally the high-Btu IL coal concentrates more energy into the slurry of a given coal to water ratio. The Btu is--higher not only because of the hither Btu value of the coal but also because IL coal requires less water to produce a pumpable slurry than western coal, i.e., as little as 30--35% water may be used for IL coal as compared to approximately 45% for most western coals. During the contract extension, additional coal testing was completed confirming the fact that coal concentrates can be made from plant waste under a variety of flotation conditions 33 tests were conducted, yielding an average of 13326 Btu with 9.6% ash while recovering 86.0%-Of the energy value.

  17. Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity

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

    Jin, Ke; Sales, Brian C.; Stocks, George Malcolm; Samolyuk, German D.; Daene, Markus; Weber, William J.; Zhang, Yanwen; Bei, Hongbin

    2016-02-01

    We discovered that equiatomic alloys (e.g. high entropy alloys) have recently attracted considerable interest due to their exceptional properties, which might be closely related to their extreme disorder induced by the chemical complexity. To understand the effects of chemical complexity on their fundamental physical properties, a family of (eight) Ni-based, face-center-cubic (FCC), equiatomic alloys, extending from elemental Ni to quinary high entropy alloys, has been synthesized, and their electrical, thermal, and magnetic properties are systematically investigated in the range of 4–300 K by combining experiments with ab initio Korring-Kohn-Rostoker coherent-potential-approximation (KKR-CPA) calculations. The scattering of electrons is significantly increased duemore » to the chemical (especially magnetic) disorder. It has weak correlation with the number of elements but strongly depends on the type of elements. Thermal conductivities of the alloys are largely lower than pure metals, primarily because the high electrical resistivity suppresses the electronic thermal conductivity. Moreover, the temperature dependence of the electrical and thermal transport properties is further discussed, and the magnetization of five alloys containing three or more elements is measured in magnetic fields up to 4 T.« less

  18. Tailoring Pore Size of Nitrogen-Doped Hollow Carbon Nanospheres for Confi ning Sulfur in LithiumSulfur Batteries

    SciTech Connect (OSTI)

    Zhou, Weidong; Wang, Chong M.; Zhang, Quiglin; Abruna, Hector D.; He, Yang; Wang, Jiangwei; Mao, Scott X.; Xiao, Xingcheng

    2015-08-19

    Three types of nitrogen-doped hollow carbon spheres with different pore sized porous shells are prepared to investigate the performance of sulfur confinement. The reason that why no sulfur is observed in previous research is determined and it is successfully demonstrated that the sulfur/polysulfide will overflow the porous carbon during the lithiation process.

  19. Tailored benzoxazines as novel resin systems for printed circuit boards in high temperature e-mobility applications

    SciTech Connect (OSTI)

    Troeger, K. Darka, R. Khanpour Neumeyer, T. Altstaedt, V.

    2014-05-15

    This study focuses on the development of Bisphenol-F-benzoxazine resins blended with different ratios of a trifunctional epoxy resin suitable as matrix for substrates for high temperature printed circuit board (HT-PCB) applications. With the benzoxazine blends glass transition temperatures of more than 190 °C could be achieved in combination with a coefficient of thermal expansion in thickness direction (z-CTE) of less than 60 ppm/K without adding any fillers. This shows the high potential of the benzoxazine-epoxy blend systems as substrate materials for HT-PCBs. To understand the thermal behavior of the different formulations, the apparent crosslink density was calculated based on data from Dynamic Mechanical Analysis. Laminates in laboratory scale were prepared and characterized to demonstrate the transformation of the neat resin properties into real electronic substrate properties. The produced laminates exhibit a z-CTE below 40 ppm/K.

  20. Capping layer-tailored interface magnetic anisotropy in ultrathin Co{sub 2}FeAl films

    SciTech Connect (OSTI)

    Belmeguenai, M. Zighem, F.; Chérif, S. M.; Gabor, M. S. Petrisor, T.; Tiusan, C.

    2015-01-14

    Co{sub 2}FeAl (CFA) thin films of various thicknesses (2 nm ≤ d ≤ 50 nm) have been grown on (001) MgO single crystal substrates and then capped with Cr, V, and Ta. Their magnetic and structural properties have been studied by x-ray diffraction (XRD), vibrating sample magnetometry, and broadband microstrip ferromagnetic resonance (MS-FMR). The XRD revealed that the films are epitaxial with the cubic [001] CFA axis normal to the substrate plane and that the chemical order varies from the B2 phase to the A2 phase when decreasing the thickness. The deduced lattice parameters showed that the Cr-capped films exhibit a larger tetragonal distortion, as compared with the films capped with V or Ta. The presence of magnetic dead layers has been observed in CFA samples capped with V and Ta but not in the case of the Cr-capped ones. The effective magnetization, deduced from the fit of MS-FMR measurements, increases (decreases) linearly with the CFA inverse thickness (1/d) for the Cr-capped (Ta-capped) films while it is constant for the V-capped ones. This allows quantifying the perpendicular surface anisotropy coefficients of −0.46 erg/cm{sup 2} and 0.74 erg/cm{sup 2} for Cr and Ta-capped films, respectively. Moreover, the fourfold and the uniaxial anisotropy fields, measured in these films, showed different trends with a respect to the CFA inverse thickness. This allows inferring that a non-negligible part of the fourfold magnetocrystalline term is of interfacial origin.

  1. Volume 1, 1st Edition, Multiscale Tailoring of Highly Active and Stable Nanocomposite Catalysts, Final Technical Report

    SciTech Connect (OSTI)

    Veser, Goetz

    2009-08-31

    Nanomaterials have gained much attention as catalysts since the discovery of exceptional CO oxidation activity of nanoscale gold by Haruta. However, many studies avoid testing nanomaterials at the high-temperatures relevant to reactions of interest for the production of clean energy (T > 700C). The generally poor thermal stability of catalytically active noble metals has thus far prevented significant progress in this area. We have recently overcome the poor thermal stability of nanoparticles by synthesizing a platinum barium-hexaaluminate (Pt-BHA) nanocomposite which combines the high activity of noble metal nanoparticles with the thermal stability of hexaaluminates. This Pt-BHA nanocomposite demonstrates excellent activity, selectivity, and long-term stability in CPOM. Pt-BHA is anchored onto a variety of support structures in order to improve the accessibility, safety, and reactivity of the nanocatalyst. Silica felts prove to be particularly amenable to this supporting procedure, with the resulting supported nanocatalyst proving to be as active and stable for CPOM as its unsupported counterpart. Various pre-treatment conditions are evaluated to determine their effectiveness in removing residual surfactant from the active nanoscale platinum particles. The size of these particles is measured across a wide temperature range, and the resulting plateau of stability from 600-900C can be linked to a particle caging effect due to the structure of the supporting ceramic framework. The nanocomposites are used to catalyze the combustion of a dilute methane stream, and the results indicate enhanced activity for both Pt-BHA as well as ceria-doped BHA, as well as an absence of internal mass transfer limitations at the conditions tested. In water-gas shift reaction, nanocomposite Pt-BHA shows stability during prolonged WGS reaction and no signs of deactivation during start-up/shut-down of the reactor. The chemical and thermal stability, low molecular weight, and wealth of literature on the formation of mesoporous silica materials motivated investigations of nanocomposite silica catalysts. High surface area silicas are synthesized via sol-gel methods, and the addition of metal-salts lead to the formation of stable nanocomposite Ni- and Fe- silicates. The results of these investigations have increased the fundamental understanding and improved the applicability of nanocatalysts for clean energy applications.

  2. Tailoring the crystal structure of TiO{sub 2} thin films from the anatase to rutile phase

    SciTech Connect (OSTI)

    Kotake, Haruka; Jia, Junjun; Nakamura, Shin-ichi; Shigesato, Yuzo; Okajima, Toshihiro

    2015-07-15

    TiO{sub 2} films with various Sn concentrations were deposited on quartz substrates using rf reactive magnetron sputtering. The crystal structure was investigated by using x-ray diffraction, Raman spectroscopy, and transmission electron microscopy, and the chemical states of Ti and Sn were analyzed by x-ray absorption near edge structure (XANES) spectroscopy. Without Sn doping, TiO{sub 2} films change the crystal structure from rutile to anatase as the total gas pressure increases in the sputtering deposition. On the other hand, Sn doping induces the transformation of TiO{sub 2} crystalline structure from anatase to rutile phase, where the XANES spectra implied that Sn substitutes into Ti site of rutile TiO{sub 2}. Atomic force microscope analyses revealed that the Sn-doped TiO{sub 2} films exhibited a flat surface with the roughness of approximately 2 nm.

  3. Tailoring surface properties and structure of layered double hydroxides using silanes with different number of functional groups

    SciTech Connect (OSTI)

    Tao, Qi; He, Hongping; Li, Tian; Frost, Ray L.; Zhang, Dan; He, Zisen

    2014-05-01

    Four silanes, trimethylchlorosilane (TMCS), dimethyldiethoxylsilane (DMDES), 3-aminopropyltriethoxysilane (APTES) and tetraethoxysilane (TEOS), were adopted to graft layered double hydroxides (LDH) via an induced hydrolysis silylation method (IHS). Fourier transform infrared spectra (FTIR) and {sup 29}Si MAS nuclear magnetic resonance spectra ({sup 29}Si MAS NMR) indicated that APTES and TEOS can be grafted onto LDH surfaces via condensation with hydroxyl groups of LDH, while TMCS and DMDES could only be adsorbed on the LDH surface with a small quantity. A combination of X-ray diffraction patterns (XRD) and {sup 29}Si MAS NMR spectra showed that silanes were exclusively present in the external surface and had little influence on the long range order of LDH. The surfactant intercalation experiment indicated that the adsorbed and/or grafted silane could not fix the interlamellar spacing of the LDH. However, they will form crosslink between the particles and affect the further surfactant intercalation in the silylated samples. The replacement of water by ethanol in the tactoids and/or aggregations and the polysiloxane oligomers formed during silylation procedure can dramatically increase the value of BET surface area (S{sub BET}) and total pore volumes (V{sub p}) of the products. - Graphical abstract: The replacement of water by ethanol in the tactoids and aggregations of LDHs, and the polysiloxane oligomers formed during silylation process can dramatically increase the BET surface area (S{sub BET}) and the total pore volume (V{sub p}) of the silylated products. - Highlights: Silanes with multifunctional groups were grafted onto LDH surface in C{sub 2}H{sub 5}OH medium. The number of hydrolysable groups in silanes affects the structure of grafted LDH. Replacement of H{sub 2}O by C{sub 2}H{sub 5}OH in aggregations increases S{sub BET} and V{sub p} of grafted LDH. Polysiloxane oligomers contribute to the increase of S{sub BET} and V{sub p} of grafted LDH.

  4. Novel cross-linked polystyrenes with large space network as tailor-made catalyst supports for sustainable media

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

    Marrocchi, Assunta; Adriaensens, Peter; Bartollini, Elena; Barkakaty, Balaka; Carleer, Robert; Chen, Jihua; Hensley, Dale K.; Petrucci, Chiara; Tassi, Marco; Vaccaro, Luigi

    2015-10-09

    For a novel class of polystyrene-based gel-type resins (SPACeR, SP), containing the large 1,4-bis (4-vinylphenoxy)benzene cross-linker, is introduced; SP-immobilized 1,5,7-triazabicyclo [4.4.0]dec-5-ene (TBD) and triethylamine (TEA) bases are synthesized and characterized in terms of their structural, thermal and morphological features, and their catalytic efficiency in a series of fundamental chemical transformations under solvent-free conditions is investigated.

  5. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

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

    Zhang, Yanwen; Stocks, George Malcolm; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Sales, Brian C.; Wang, Lumin; Béland, Laurent K.; Stoller, Roger E.; Samolyuk, German D.; et al

    2015-10-28

    A long-standing objective in materials research is to understand how energy is dissipated in both the electronic and atomic subsystems in irradiated materials, and how related non-equilibrium processes may affect defect dynamics and microstructure evolution. Here we show that alloy complexity in concentrated solid solution alloys having both an increasing number of principal elements and altered concentrations of specific elements can lead to substantial reduction in the electron mean free path and thermal conductivity, which has a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Enhanced radiation resistance with increasing complexity from pure nickel tomore » binary and to more complex quaternary solid solutions is observed under ion irradiation up to an average damage level of 1 displacement per atom. Understanding how materials properties can be tailored by alloy complexity and their influence on defect dynamics may pave the way for new principles for the design of radiation tolerant structural alloys.« less

  6. Communication: Energy-dependent resonance broadening in symmetric...

    Office of Scientific and Technical Information (OSTI)

    Energy-dependent resonance broadening in symmetric and asymmetric molecular junctions from an ab initio non-equilibrium Green's function approach Title: Communication: Energy-depen...

  7. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Richland, WA (United States) Idaho Chemical Processing Plant, Idaho Falls, ID ... By using the non-equilibrium Green function method with the slave-boson mean field ...

  8. Microsoft Word - strickland_abstract

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

    quark gluon plasma Dr. Michael Strickland Gettysburg College Abstract: In this talk I will review our theoretical understanding of the dynamics of a non- equilibrium quark ...

  9. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Spintronic devices promise new faster and lower energy-consumption electronic systems. ... In this paper, by utilizing density functional theory and non-equilibrium green function ...

  10. Nonequilibrium volumetric response of shocked polymers

    SciTech Connect (OSTI)

    Clements, B E

    2009-01-01

    Polymers are well known for their non-equilibrium deviatoric behavior. However, investigations involving both high rate shock experiments and equilibrium measured thermodynamic quantities remind us that the volumetric behavior also exhibits a non-equilibrium response. Experiments supporting the notion of a non-equilibrium volumetric behavior will be summarized. Following that discussion, a continuum-level theory is proposed that will account for both the equilibrium and non-equilibrium response. Upon finding agreement with experiment, the theory is used to study the relaxation of a shocked polymer back towards its shocked equilibrium state.