National Library of Energy BETA

Sample records for biochemical systems theory

  1. Final Technical Report "Multiscale Simulation Algorithms for Biochemical Systems"

    SciTech Connect (OSTI)

    Petzold, Linda R.

    2012-10-25

    Biochemical systems are inherently multiscale and stochastic. In microscopic systems formed by living cells, the small numbers of reactant molecules can result in dynamical behavior that is discrete and stochastic rather than continuous and deterministic. An analysis tool that respects these dynamical characteristics is the stochastic simulation algorithm (SSA, Gillespie, 1976), a numerical simulation procedure that is essentially exact for chemical systems that are spatially homogeneous or well stirred. Despite recent improvements, as a procedure that simulates every reaction event, the SSA is necessarily inefficient for most realistic problems. There are two main reasons for this, both arising from the multiscale nature of the underlying problem: (1) stiffness, i.e. the presence of multiple timescales, the fastest of which are stable; and (2) the need to include in the simulation both species that are present in relatively small quantities and should be modeled by a discrete stochastic process, and species that are present in larger quantities and are more efficiently modeled by a deterministic differential equation (or at some scale in between). This project has focused on the development of fast and adaptive algorithms, and the fun- damental theory upon which they must be based, for the multiscale simulation of biochemical systems. Areas addressed by this project include: (1) Theoretical and practical foundations for ac- celerated discrete stochastic simulation (tau-leaping); (2) Dealing with stiffness (fast reactions) in an efficient and well-justified manner in discrete stochastic simulation; (3) Development of adaptive multiscale algorithms for spatially homogeneous discrete stochastic simulation; (4) Development of high-performance SSA algorithms.

  2. Open quantum systems and random matrix theory

    SciTech Connect (OSTI)

    Mulhall, Declan

    2014-10-15

    A simple model for open quantum systems is analyzed with RMT. The system is coupled to the continuum in a minimal way. In this paper we see the effect of opening the system on the level statistics, in particular the level spacing, width distribution and Δ{sub 3}(L) statistic are examined as a function of the strength of this coupling. The usual super-radiant state is observed, and it is seen that as it is formed, the level spacing and Δ{sub 3}(L) statistic exhibit the signatures of missed levels.

  3. Generalized Einstein-Aether theories and the Solar System

    SciTech Connect (OSTI)

    Bonvin, Camille; Durrer, Ruth; Ferreira, Pedro G.; Zlosnik, Tom G.; Starkman, Glenn

    2008-01-15

    It has been shown that generalized Einstein-Aether theories may lead to significant modifications to the nonrelativistic limit of the Einstein equations. In this paper we study the effect of a general class of such theories on the Solar System. We consider corrections to the gravitational potential in negative and positive powers of distance from the source. Using measurements of the perihelion shift of Mercury and time delay of radar signals to Cassini, we place constraints on these corrections. We find that a subclass of generalized Einstein-Aether theories is compatible with these constraints.

  4. Biochemical Processes | Bioenergy | NREL

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

    Biochemical Processes NREL is developing biochemical conversion processes to generate sugars and sugars-derived intermediates for upgrading to biofuels and bioproducts. We develop ...

  5. Biochemical Platform Analysis

    SciTech Connect (OSTI)

    2006-06-01

    The objective of this project is to perform analysis for the Biochemical Platform to support the on-going research in biochemical conversion of biomass that will be part of an integrated biorefinery.

  6. Disformal theories of gravity: from the solar system to cosmology

    SciTech Connect (OSTI)

    Sakstein, Jeremy

    2014-12-01

    This paper is concerned with theories of gravity that contain a scalar coupled both conformally and disformally to matter through the metric. By systematically deriving the non-relativistic limit, it is shown that no new non-linear screening mechanisms are present beyond the Vainshtein mechanism and chameleon-like screening. If one includes the cosmological expansion of the universe, disformal effects that are usually taken to be absent can be present in the solar system. When the conformal factor is absent, fifth-forces can be screened on all scales when the cosmological field is slowly-rolling. We investigate the cosmology of these models and use local tests of gravity to place new constraints on the disformal coupling and find M?>O(eV), which is not competitive with laboratory tests. Finally, we discuss the future prospects for testing these theories and the implications for other theories of modified gravity. In particular, the Vainshtein radius of solar system objects can be altered from the static prediction when cosmological time-derivatives are non-negligible.

  7. Quantum tomography meets dynamical systems and bifurcations theory

    SciTech Connect (OSTI)

    Goyeneche, D.; Torre, A. C. de la

    2014-06-01

    A powerful tool for studying geometrical problems in Hilbert spaces is developed. We demonstrate the convergence and robustness of our method in every dimension by considering dynamical systems theory. This method provides numerical solutions to hard problems involving many coupled nonlinear equations in low and high dimensions (e.g., quantum tomography problem, existence and classification of Pauli partners, mutually unbiased bases, complex Hadamard matrices, equiangular tight frames, etc.). Additionally, this tool can be used to find analytical solutions and also to implicitly prove the existence of solutions. Here, we develop the theory for the quantum pure state tomography problem in finite dimensions but this approach is straightforwardly extended to the rest of the problems. We prove that solutions are always attractive fixed points of a nonlinear operator explicitly given. As an application, we show that the statistics collected from three random orthonormal bases is enough to reconstruct pure states from experimental (noisy) data in every dimension d ? 32.

  8. BEST: Biochemical Engineering Simulation Technology

    SciTech Connect (OSTI)

    Not Available

    1996-01-01

    The idea of developing a process simulator that can describe biochemical engineering (a relatively new technology area) was formulated at the National Renewable Energy Laboratory (NREL) during the late 1980s. The initial plan was to build a consortium of industrial and U.S. Department of Energy (DOE) partners to enhance a commercial simulator with biochemical unit operations. DOE supported this effort; however, before the consortium was established, the process simulator industry changed considerably. Work on the first phase of implementing various fermentation reactors into the chemical process simulator, ASPEN/SP-BEST, is complete. This report will focus on those developments. Simulation Sciences, Inc. (SimSci) no longer supports ASPEN/SP, and Aspen Technology, Inc. (AspenTech) has developed an add-on to its ASPEN PLUS (also called BioProcess Simulator [BPS]). This report will also explain the similarities and differences between BEST and BPS. ASPEN, developed by the Massachusetts Institute of Technology for DOE in the late 1970s, is still the state-of-the-art chemical process simulator. It was selected as the only simulator with the potential to be easily expanded into the biochemical area. ASPEN/SP, commercially sold by SimSci, was selected for the BEST work. SimSci completed work on batch, fed-batch, and continuous fermentation reactors in 1993, just as it announced it would no longer commercially support the complete ASPEN/SP product. BEST was left without a basic support program. Luckily, during this same time frame, AspenTech was developing a biochemical simulator with its version of ASPEN (ASPEN PLUS), which incorporates most BEST concepts. The future of BEST will involve developing physical property data and models appropriate to biochemical systems that are necessary for good biochemical process design.

  9. Biochemical transformation of coals

    DOE Patents [OSTI]

    Lin, Mow S. (Rocky Point, NY); Premuzic, Eugene T. (East Moriches, NY)

    1999-03-23

    A method of biochemically transforming macromolecular compounds found in solid carbonaceous materials, such as coal is provided. The preparation of new microorganisms, metabolically weaned through challenge growth processes to biochemically transform solid carbonaceous materials at extreme temperatures, pressures, pH, salt and toxic metal concentrations is also disclosed.

  10. Biochemical transformation of coals

    DOE Patents [OSTI]

    Lin, M.S.; Premuzic, E.T.

    1999-03-23

    A method of biochemically transforming macromolecular compounds found in solid carbonaceous materials, such as coal is provided. The preparation of new microorganisms, metabolically weaned through challenge growth processes to biochemically transform solid carbonaceous materials at extreme temperatures, pressures, pH, salt and toxic metal concentrations is also disclosed. 7 figs.

  11. A stochastic perturbation theory for non-autonomous systems

    SciTech Connect (OSTI)

    Moon, W.; Wettlaufer, J. S.

    2013-12-15

    We develop a perturbation theory for a class of first order nonlinear non-autonomous stochastic ordinary differential equations that arise in climate physics. The perturbative procedure produces moments in terms of integral delay equations, whose order by order decay is characterized in a Floquet-like sense. Both additive and multiplicative sources of noise are discussed and the question of how the nature of the noise influences the results is addressed theoretically and numerically. By invoking the Martingale property, we rationalize the transformation of the underlying Stratonovich form of the model to an Ito form, independent of whether the noise is additive or multiplicative. The generality of the analysis is demonstrated by developing it both for a Brownian particle moving in a periodically forced quartic potential, which acts as a simple model of stochastic resonance, as well as for our more complex climate physics model. The validity of the approach is shown by comparison with numerical solutions. The particular climate dynamics problem upon which we focus involves a low-order model for the evolution of Arctic sea ice under the influence of increasing greenhouse gas forcing ?F{sub 0}. The deterministic model, developed by Eisenman and Wettlaufer [Nonlinear threshold behavior during the loss of Arctic sea ice, Proc. Natl. Acad. Sci. U.S.A. 106(1), 2832 (2009)] exhibits several transitions as ?F{sub 0} increases and the stochastic analysis is used to understand the manner in which noise influences these transitions and the stability of the system.

  12. Biochemical upgrading of oils

    DOE Patents [OSTI]

    Premuzic, E.T.; Lin, M.S.

    1999-01-12

    A process for biochemical conversion of heavy crude oils is provided. The process includes contacting heavy crude oils with adapted biocatalysts. The resulting upgraded oil shows, a relative increase in saturated hydrocarbons, emulsions and oxygenates and a decrease in compounds containing organic sulfur, organic nitrogen and trace metals. Adapted microorganisms which have been modified under challenged growth processes are also disclosed. 121 figs.

  13. Biochemical upgrading of oils

    DOE Patents [OSTI]

    Premuzic, Eugene T. (East Moriches, NY); Lin, Mow S. (Rocky Point, NY)

    1999-01-12

    A process for biochemical conversion of heavy crude oils is provided. The process includes contacting heavy crude oils with adapted biocatalysts. The resulting upgraded oil shows, a relative increase in saturated hydrocarbons, emulsions and oxygenates and a decrease in compounds containing in organic sulfur, organic nitrogen and trace metals. Adapted microorganisms which have been modified under challenged growth processes are also disclosed.

  14. Biochemical Conversion | Department of Energy

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

    Conversion Biochemical Conversion This area focuses on the research, development and demonstration of biological processes that convert biomass to biofuels, chemicals, and power. Biochemical processes also complement thermochemical conversion by providing residual materials for further processing. Biochemical conversion will advance in the future by enhancing fuel yields in integrated biorefineries which combine conversion types with heat and power efficiencies to produce fuel and products.

  15. Multiphase flow modeling based on the hyperbolic thermodynamically compatible systems theory

    SciTech Connect (OSTI)

    Romenski, E.

    2015-03-10

    An application of the theory of thermodynamically compatible hyperbolic systems to design a multiphase compressible flow models is discussed. With the use of such approach the governing equations are derived from the first principles, formulated in a divergent form and can be transformed to a symmetric hyperbolic system in the sense of Friedrichs. A usage of the proposed approach is described for the development of multiphase compressible fluid models, including two-phase flow models.

  16. Weakly interacting two-dimensional system of dipoles: Limitations of the mean-field theory

    SciTech Connect (OSTI)

    Astrakharchik, G. E.; Boronat, J.; Casulleras, J.; Kurbakov, I. L.; Lozovik, Yu. E.

    2007-06-15

    We consider a homogeneous two-dimensional Bose gas with repulsive dipole-dipole interactions. The ground-state equation of state, calculated using the diffusion Monte Carlo method, shows quantitative differences from the predictions of the commonly used Gross-Pitaevskii mean-field theory. The static structure factor, pair distribution function, and condensate fraction are calculated in a wide range of the gas parameter. Differences from mean-field theory are reflected in the frequency of the lowest ''breathing'' mode for harmonically trapped systems.

  17. Strong field effects on binary systems in Einstein-aether theory

    SciTech Connect (OSTI)

    Foster, Brendan Z.

    2007-10-15

    'Einstein-aether' theory is a generally covariant theory of gravity containing a dynamical preferred frame. This article continues an examination of effects on the motion of binary pulsar systems in this theory, by incorporating effects due to strong fields in the vicinity of neutron star pulsars. These effects are included through an effective approach, by treating the compact bodies as point particles with nonstandard, velocity dependent interactions parametrized by dimensionless sensitivities. Effective post-Newtonian equations of motion for the bodies and the radiation damping rate are determined. More work is needed to calculate values of the sensitivities for a given fluid source; therefore, precise constraints on the theory's coupling constants cannot yet be stated. It is shown, however, that strong field effects will be negligible given current observational uncertainties if the dimensionless couplings are less than roughly 0.1 and two conditions that match the PPN parameters to those of pure general relativity are imposed. In this case, weak field results suffice. There then exists a one-parameter family of Einstein-aether theories with 'small-enough' couplings that passes all current observational tests. No conclusion can be reached for larger couplings until the sensitivities for a given source can be calculated.

  18. Biochemical Conversion: Using Hydrolysis, Fermentation, and Catalysis...

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

    Biochemical Conversion: Using Hydrolysis, Fermentation, and Catalysis to Make Fuels and Chemicals Biochemical Conversion: Using Hydrolysis, Fermentation, and Catalysis to Make ...

  19. Biomass Program 2007 Accomplishments - Biochemical Conversion Platform

    SciTech Connect (OSTI)

    none,

    2009-10-27

    This document details accomplishments of the Biomass Program Biochemical Conversion Platform accomplishments in 2007.

  20. Biochemical Conversion Pilot Plant (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-06-01

    This fact sheet provides information about Biochemical Conversion Pilot Plant capabilities and resources at NREL.

  1. National Bioenergy Center Biochemical Platform Integration Project

    SciTech Connect (OSTI)

    Not Available

    2008-07-01

    April through June 2008 update on activities of the National Bioenergy Center's Biochemical Platform Integration Project.

  2. Multiple capillary biochemical analyzer

    DOE Patents [OSTI]

    Dovichi, Norman J.; Zhang, Jian Z.

    1995-01-01

    A multiple capillary analyzer allows detection of light from multiple capillaries with a reduced number of interfaces through which light must pass in detecting light emitted from a sample being analyzed, using a modified sheath flow cuvette. A linear or rectangular array of capillaries is introduced into a rectangular flow chamber. Sheath fluid draws individual sample streams through the cuvette. The capillaries are closely and evenly spaced and held by a transparent retainer in a fixed position in relation to an optical detection system. Collimated sample excitation radiation is applied simultaneously across the ends of the capillaries in the retainer. Light emitted from the excited sample is detected by the optical detection system. The retainer is provided by a transparent chamber having inward slanting end walls. The capillaries are wedged into the chamber. One sideways dimension of the chamber is equal to the diameter of the capillaries and one end to end dimension varies from, at the top of the chamber, slightly greater than the sum of the diameters of the capillaries to, at the bottom of the chamber, slightly smaller than the sum of the diameters of the capillaries. The optical system utilizes optic fibres to deliver light to individual photodetectors, one for each capillary tube. A filter or wavelength division demultiplexer may be used for isolating fluorescence at particular bands.

  3. Multiple capillary biochemical analyzer

    DOE Patents [OSTI]

    Dovichi, N.J.; Zhang, J.Z.

    1995-08-08

    A multiple capillary analyzer allows detection of light from multiple capillaries with a reduced number of interfaces through which light must pass in detecting light emitted from a sample being analyzed, using a modified sheath flow cuvette. A linear or rectangular array of capillaries is introduced into a rectangular flow chamber. Sheath fluid draws individual sample streams through the cuvette. The capillaries are closely and evenly spaced and held by a transparent retainer in a fixed position in relation to an optical detection system. Collimated sample excitation radiation is applied simultaneously across the ends of the capillaries in the retainer. Light emitted from the excited sample is detected by the optical detection system. The retainer is provided by a transparent chamber having inward slanting end walls. The capillaries are wedged into the chamber. One sideways dimension of the chamber is equal to the diameter of the capillaries and one end to end dimension varies from, at the top of the chamber, slightly greater than the sum of the diameters of the capillaries to, at the bottom of the chamber, slightly smaller than the sum of the diameters of the capillaries. The optical system utilizes optic fibers to deliver light to individual photodetectors, one for each capillary tube. A filter or wavelength division demultiplexer may be used for isolating fluorescence at particular bands. 21 figs.

  4. Towards A Theory of Autonomous Reconstitution of Compromised Cyber-Systems

    SciTech Connect (OSTI)

    Ramuhalli, Pradeep; Halappanavar, Mahantesh; Coble, Jamie B.; Dixit, Mukul

    2013-11-12

    either directly on hardware, or using virtual machines. A significant challenge within this context is the ability to verify that the reconstitution is performed in a manner that renders the cyber-system resilient to ongoing and future attacks or faults. Fundamentally, the need is to determine optimal configuration of the cyber system when a fault is determined to be present. While existing theories for fault tolerance (for example, Byzantine fault tolerance) can guarantee resilience under certain conditions, in practice, these theories can break down in the face of an intelligent adversary. Further, it is difficult, in a dynamically evolving environment, to determine whether the necessary conditions for resilience have been met, resulting in difficulties in achieving resilient operation. In addition, existing theories do not sufficiently take into account the cost for attack and defense (the adversary is generally assumed to have infinite resources and time), hierarchy of importance (all network resources are assumed to be equally important), and the dynamic nature of some attacks (i.e., as the attack evolves, can resilience be maintained?). Alternative approaches to resilience based on a centralized command and control structure suffer from a single-point-failure. This paper presents preliminary research towards concepts for effective autonomous reconstitution of compromised cyber systems. We describe a mathematical framework as a first step towards a theoretical basis for autonomous reconstitution in dynamic cyber-system environments. We then propose formulating autonomous reconstitution as an optimization problem and describe some of the challenges associated with this formulation. This is followed by a brief discussion on potential solutions to these challenges.

  5. NREL: Biomass Research - Biochemical Conversion Projects

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

    NREL's projects in biochemical conversion involve three ... yeast and bacteria) Processing the fermentation product ... Bioprocess Integration Researchers are refining a ...

  6. Biochemical Conversion - Biorefinery Integration | Department of Energy

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

    Research & Development » Conversion Technologies » Biochemical Conversion » Biochemical Conversion - Biorefinery Integration Biochemical Conversion - Biorefinery Integration One of the essential elements in the economical and efficient production of cellulosic biofuels is the development of biorefineries. Similar in concept to traditional petroleum refineries, biorefineries convert various types of biomass feedstock into marketable chemicals, fuels, and products. By taking advantage of

  7. Quantitative assessment of electrostatic embedding in Density Functional Theory calculations of biomolecular systems

    SciTech Connect (OSTI)

    Fattebert, J; Law, R J; Bennion, B; Lau, E Y; Schwegler, E; Lightstone, F C

    2009-04-24

    We evaluate the accuracy of density functional theory quantum calculations of biomolecular subsystems using a simple electrostatic embedding scheme. Our scheme is based on dividing the system of interest into a primary and secondary subsystem. A finite difference discretization of the Kohn-Sham equations is used for the primary subsystem, while its electrostatic environment is modeled with a simple one-electron potential. Force-field atomic partial charges are used to generate smeared Gaussian charge densities and to model the secondary subsystem. We illustrate the utility of this approach with calculations of truncated dipeptide chains. We analyze quantitatively the accuracy of this approach by calculating atomic forces and comparing results with fullQMcalculations. The impact of the choice made in terminating dangling bonds at the frontier of the QM region is also investigated.

  8. Theory and application of a three-dimensional code SHAPS to complex piping systems. [LMFBR

    SciTech Connect (OSTI)

    Wang, C.Y.

    1983-01-01

    This paper describes the theory and application of a three-dimensional computer code SHAPS to the complex piping systems. The code utilizes a two-dimensional implicit Eulerian method for the hydrodynamic analysis together with a three-dimensional elastic-plastic finite-element program for the structural calculation. A three-dimensional pipe element with eight degrees of freedom is employed to account for the hoop, flexural, axial, and the torsional mode of the piping system. In the SHAPS analysis the hydrodynamic equations are modified to include the global piping motion. Coupling between fluid and structure is achieved by enforcing the free-slip boundary conditions. Also, the response of the piping network generated by the seismic excitation can be included. A thermal transient capability is also provided in SHAPS. To illustrate the methodology, many sample problems dealing with the hydrodynamic, structural, and thermal analyses of reactor-piping systems are given. Validation of the SHAPS code with experimental data is also presented.

  9. An evaluation of the environmental impact assessment system in Vietnam: The gap between theory and practice

    SciTech Connect (OSTI)

    Clausen, Alison; Vu, Hoang Hoa; Pedrono, Miguel

    2011-03-15

    Vietnam has one of the fastest growing economies in the world and has achieved significant socio-economic development in recent years. However this growth is placing increased pressure on an already depleted natural environment. Environmental impact assessment (EIA) is recognised by the Government and international organizations as an important tool in the management of the impacts of future development on the country's natural resource base. The Government's commitment to EIA has been demonstrated through the development and adoption of the Law on Environment Protection (Revised) in 2005 which sets out the requirements for EIA and which represents a major step in the development of a robust legislative framework for EIA in Vietnam. The Law on Environment Protection (Revised) 2005 has now been operational for several years and we have undertaken an evaluation of the resulting EIA system in Vietnam. We argue that while significant improvements have been achieved in the EIA policy framework, an important gap remains between EIA theory and practice. We contend that the basis of the current EIA legislation is strong and that future developments of the EIA system in Vietnam should focus on improving capacity of EIA practitioners rather than further substantial legislative change. Such improvements would allow the Vietnamese EIA system to emerge as an effective and efficient tool for environmental management in Vietnam and as a model EIA framework for other developing countries.

  10. Financing Advanced Biofuels, Biochemicals And Biopower In Integrated...

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

    Financing Advanced Biofuels, Biochemicals And Biopower In Integrated Biorefineries Financing Advanced Biofuels, Biochemicals And Biopower In Integrated Biorefineries Afternoon ...

  11. More many-body perturbation theory for an electron-ion system

    SciTech Connect (OSTI)

    Baker, G.A. Jr.; Johnson, J.D.

    1997-10-01

    From previous finite-temperature, quantum, many-body perturbation theory results for the grand partition function of an electron-ion fluid through order {epsilon}{sup 4}, we compute the electron and ion fugacities in terms of the volume per ion and the temperature to that same order in perturbation theory. From these results we also give the pressure, again to the same order in perturbation theory about the values for the non-interacting fluid.

  12. A decision support system prototype including human factors based on the TOGA meta-theory approach

    SciTech Connect (OSTI)

    Cappelli, M.; Memmi, F.; Gadomski, A. M.; Sepielli, M.

    2012-07-01

    The human contribution to the risk of operation of complex technological systems is often not negligible and sometimes tends to become significant, as shown by many reports on incidents and accidents occurred in the past inside Nuclear Power Plants (NPPs). An error of a human operator of a NPP can derive by both omission and commission. For instance, complex commission errors can also lead to significant catastrophic technological accidents, as for the case of the Three Mile Island accident. Typically, the problem is analyzed by focusing on the single event chain that has provoked the incident or accident. What is needed is a general framework able to include as many parameters as possible, i.e. both technological and human factors. Such a general model could allow to envisage an omission or commission error before it can happen or, alternatively, suggest preferred actions to do in order to take countermeasures to neutralize the effect of the error before it becomes critical. In this paper, a preliminary Decision Support System (DSS) based on the so-called (-) TOGA meta-theory approach is presented. The application of such a theory to the management of nuclear power plants has been presented in the previous ICAPP 2011. Here, a human factor simulator prototype is proposed in order to include the effect of human errors in the decision path. The DSS has been developed using a TRIGA research reactor as reference plant, and implemented using the LabVIEW programming environment and the Finite State Machine (FSM) model The proposed DSS shows how to apply the Universal Reasoning Paradigm (URP) and the Universal Management Paradigm (UMP) to a real plant context. The DSS receives inputs from instrumentation data and gives as output a suggested decision. It is obtained as the result of an internal elaborating process based on a performance function. The latter, describes the degree of satisfaction and efficiency, which are dependent on the level of responsibility related to

  13. Contingency selection theory for steady-state security assessment of power systems

    SciTech Connect (OSTI)

    Halpin, T.F.

    1982-01-01

    This thesis presents the theory and method for systematically finding the performance index (PI) which is used in Automatic Contingency Selection (ACS) algorithms. The purpose of the ACS algorithm is to determine whether a contingency has an impact on the security of the power system (such as out-of-limit conditions in the post-contigency operation) or not, in a computationally efficient manner. Since this is a binary decision problem, then the choice of the PI is equivalent ot the selection of a decision function which measures the impact of each contingency on the system performance in terms of giving out-of-limit conditions. This thesis shows how to select the PI together with a threshold value J/sub th/ so as to minimize the probability of misclassifying the contingency. The main contribution of this thesis is that it gives the theoretical foundation for designing more effective ACS algorithms. It shows that the selection of the PI is based on a statistical decision criteria such as the Bayes Risk Criterion, since one needs to examine the risk involved in misclassifying the contingency. This approach is used to find the PI for monitoring both the line flow, bus voltage and generator VAR limits. It is shown that when formulating the problem in the space of voltage magnitudes and phase angles then the problem of finding the PI which satisfies a specific contingency selection criteria can be stated as a set imbedding and volume maximization problem. These theoretical results are applied to the problem of tuning the weighting coefficients in the currently used PI's for analyzing either the real power flow or node voltage magnitude problems in order ot guarantee proper classification of the contingencies in terms of minimizing the probabilities of missing critial contingencies and false alarms.

  14. Biochemical Conversion Related Links | Department of Energy

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

    Conversion 2009 Peer Review Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model For more publications, see the Bioenergy Publication Library

  15. NREL: Biomass Research - Biochemical Conversion Capabilities

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

    NREL researchers are working to improve the efficiency and economics of the biochemical ... that can coferment all the sugars in biomass to improve ethanol production economics. ...

  16. Chiral effective field theory analysis of hadronic parity violation in few-nucleon systems

    SciTech Connect (OSTI)

    Viviani, Michele; Baroni, Alessandro; Girlanda, Luca; Kievsky, Alejandro; Marcucci, Laura E.; Schiavilla, Rocco

    2014-06-01

    Background: Weak interactions between quarks induce a parity-violating (PV) component in the nucleonnucleon potential, whose effects are currently being studied in a number of experiments involving few-nucleon systems. In the present work, we reconsider the derivation of this PV component within a chiral effective field theory (chiEFT) framework. Purpose: The objectives of the present work are twofold. The first is to perform a detailed analysis of the PV nucleon-nucleon potential up to next-to-next-to-leading (N2LO) order in the chiral expansion, in particular, by determining the number of independent low-energy constants (LECs) at N2LO. The second objective is to investigate PV effects in a number of few-nucleon observables, including the #2; p-p longitudinal asymmetry, the neutron spin rotation in #2;n-p and #2;n-d scattering, and the longitudinal asymmetry in the {sup 3}He(#2;{vector n},p){sup 3}H chargeexchange reaction. Methods: The chiEFT PV potential includes one-pion-exchange, two-pion-exchange, and contact terms as well as 1/M (M being the nucleon mass) nonstatic corrections. Dimensional regularization is used to renormalize pion loops. The wave functions for the A = 2–-4 nuclei are obtained by using strong two- and three-body potentials also derived, for consistency, from chiEFT. In the case of the A = 3–-4 systems, the wave functions are computed by expanding on a hyperspherical harmonics functions basis. Results: We find that the PV potential at N2LO depends on six LECs: the pion-nucleon PV coupling constant h^1_pi and five parameters multiplying contact interactions. An estimate for the range of values of the various LECs is provided by using available experimental data, and these values are used to obtain predictions for the other PV observables. Conclusions: The chiEFT approach provides a very satisfactory framework to analyze PV effects in few-nucleon systems.

  17. Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system

    SciTech Connect (OSTI)

    Daon, Shauli; Pollak, Eli

    2015-05-07

    The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Arts, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.

  18. Biochemical transformation of solid carbonaceous material

    DOE Patents [OSTI]

    Lin, Mow S. (Rocky Point, NY); Premuzic, Eugene T. (East Moriches, NY)

    2001-09-25

    A method of biochemically transforming macromolecular compounds found in solid carbonaceous materials, such as coal is provided. The preparation of new microorganisms, metabolically weaned through challenge growth processes to biochemically transform solid carbonaceous materials at extreme temperatures, pressures, pH, salt and toxic metal concentrations is also disclosed.

  19. Alert Confidence Fusion in Intrusion Detection Systems with Extended Dempster- Shafer Theory

    SciTech Connect (OSTI)

    Yu, Dong; Frincke, Deborah A.

    2005-03-01

    Extend Dempster-Shafer Theory of Evidence to include differential weightings of alerts drawn from multiple sources. The intent is to support automated (and manual) response to threat by producing more realistic confidence ratings for IDS alerts than is currently available.

  20. Biochemical Mechanisms and Energy Strategies of Geobacter Sulfurreduce...

    Office of Scientific and Technical Information (OSTI)

    Biochemical Mechanisms and Energy Strategies of Geobacter Sulfurreducens Citation Details In-Document Search Title: Biochemical Mechanisms and Energy Strategies of Geobacter ...

  1. Biochemical Conversion Pilot Plant (Fact Sheet), NREL (National...

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

    Biochemical Conversion Pilot Plant A pilot-scale conversion plant for researchers, industry partners, and stakeholders to test a variety of biochemical conversion processes and ...

  2. 2011 Biomass Program Platform Peer Review: Biochemical Conversion...

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

    Biochemical Conversion 2011 Biomass Program Platform Peer Review: Biochemical Conversion This document summarizes the recommendations and evaluations provided by an independent ...

  3. Biochemical Production of Ethanol from Corn Stover: 2007 State...

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

    Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model An update to ...

  4. Demonstration and Deployment Workshop Day 2 - Biochem | Department...

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

    Demonstration and Deployment Workshop Day 2 - Biochem Day 2 Report - Breakout Group: Biochem danddworkshopbiochem2.pdf (289.41 KB) More Documents & Publications Demonstration ...

  5. Advanced Supervisory Control and Data Acquisition (SCADA) for Biochemical Process Integration Presentation for BETO 2015 Project Peer Review

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

    Supervisory Control and Data Acquisition (SCADA) for Biochemical Process Integration 2/26/2015 Biochemical Platform Review Jim Collett Pacific Northwest National Laboratory This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement * The Challenge: Hydrocarbon biofuel production will require advanced supervisory control and data acquisition (SCADA) systems for bioconversion of highly variable biomass feedstocks with high levels of

  6. Plasma equilibrium in 3D magnetic confinement systems and soliton theory

    SciTech Connect (OSTI)

    Skovoroda, A. A.

    2009-08-15

    Single-valued conformal flux (magnetic) coordinates can always be introduced on arbitrary toroidal magnetic surfaces. It is shown how such coordinates can be obtained by transforming Boozer magnetic coordinates on the surfaces. The metrics is substantially simplified and the coordinate grid is orthogonalized at the expense of a more complicated representation of the magnetic field in conformal flux coordinates. This in turn makes it possible to introduce complex angular flux coordinates on any toroidal magnetic surface and to develop efficient methods for a complex analysis of the geometry of equilibrium magnetic surfaces. The complex analysis reveals how the plasma equilibrium problem is related to soliton theory. Magnetic surfaces of constant mean curvature are considered to exemplify this relationship.

  7. 2013 Peer Review Presentations-Biochemical Conversion | Department of

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

    Energy Biochemical Conversion 2013 Peer Review Presentations-Biochemical Conversion The Bioenergy Technologies Office hosted its 2013 Project Peer Review on May 20-24, 2015, at the Hilton Mark Center in Alexandria, Virginia. The presentations from the biochemical conversion session are available to view and download below. For detailed session descriptions and presentation titles, view the 2013 Project Peer Review Program Booklet. biochem_baez_2316.pdf (1.57 MB) biochem_beckham_2231.pdf

  8. Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

    SciTech Connect (OSTI)

    Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

    2015-04-14

    Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

  9. Advanced digital PWR plant protection system based on optimal estimation theory

    SciTech Connect (OSTI)

    Tylee, J.L.

    1981-04-01

    An advanced plant protection system for the Loss-of-Fluid Test (LOFT) reactor plant is described and evaluated. The system, based on a Kalman filter estimator, is capable of providing on-line estimates of such critical variables as fuel and cladding temperature, departure from nucleate boiling ratio, and maximum linear heat generation rate. The Kalman filter equations are presented, as is a description of the LOFT plant dynamic model inherent in the filter. Simulation results demonstrate the performance of the advanced system.

  10. An effective theory for the four-body system (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    The well-known linear correlation between the three-body binding energies and the four-body binding energies of these physical systems can be understood as a consequence of the ...

  11. The theory of diversity and redundancy in information system security : LDRD final report.

    SciTech Connect (OSTI)

    Mayo, Jackson R.; Torgerson, Mark Dolan; Walker, Andrea Mae; Armstrong, Robert C.; Allan, Benjamin A.; Pierson, Lyndon George

    2010-10-01

    The goal of this research was to explore first principles associated with mixing of diverse implementations in a redundant fashion to increase the security and/or reliability of information systems. Inspired by basic results in computer science on the undecidable behavior of programs and by previous work on fault tolerance in hardware and software, we have investigated the problem and solution space for addressing potentially unknown and unknowable vulnerabilities via ensembles of implementations. We have obtained theoretical results on the degree of security and reliability benefits from particular diverse system designs, and mapped promising approaches for generating and measuring diversity. We have also empirically studied some vulnerabilities in common implementations of the Linux operating system and demonstrated the potential for diversity to mitigate these vulnerabilities. Our results provide foundational insights for further research on diversity and redundancy approaches for information systems.

  12. Biochemical physics modeling of biological nano-motors

    SciTech Connect (OSTI)

    Santamara-Holek, I.; Lpez-Alamilla, N. J.

    2014-01-14

    We present a biochemical physics model accounting for the dynamics and energetics of both translational and rotational protein motors. A modified version of the hand-over-hand mechanism considering competitive inhibition by ADP is presented. Transition state-like theory is used to reconstruct the time dependent free-energy landscape of the cycle catalyst process that allows to predicting the number of steps or rotations that a single motor can perform. In addition, following the usual approach of chemical kinetics, we calculate the average translational velocity and also the stopping time of processes involving a collectivity of motors, such as exocytosis and endocytosis processes. Finally, we formulate a stochastic model reproducing very well single realizations of kinesin and rotary ATPases.

  13. {gamma} parameter and Solar System constraint in chameleon-Brans-Dicke theory

    SciTech Connect (OSTI)

    Saaidi, Kh.; Mohammadi, A.; Sheikhahmadi, H.

    2011-05-15

    The post Newtonian parameter is considered in the chameleon-Brans-Dicke model. In the first step, the general form of this parameter and also effective gravitational constant is obtained. An arbitrary function for f({Phi}), which indicates the coupling between matter and scalar field, is introduced to investigate validity of solar system constraint. It is shown that the chameleon-Brans-Dicke model can satisfy the solar system constraint and gives us an {omega} parameter of order 10{sup 4}, which is in comparable to the constraint which has been indicated in [19].

  14. Field theory and weak Euler-Lagrange equation for classical particle-field systems

    SciTech Connect (OSTI)

    Qin, Hong; Burby, Joshua W; Davidson, Ronald C

    2014-10-01

    It is commonly believed that energy-momentum conservation is the result of space-time symmetry. However, for classical particle-field systems, e.g., Klimontovich-Maxwell and Klimontovich- Poisson systems, such a connection hasn't been formally established. The difficulty is due to the fact that particles and the electromagnetic fields reside on different manifolds. To establish the connection, the standard Euler-Lagrange equation needs to be generalized to a weak form. Using this technique, energy-momentum conservation laws that are difficult to find otherwise can be systematically derived.

  15. On the v-representabilty problem in density functional theory: Application to non-interacting systems

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

    Dane, Markus; Gonis, Antonios

    2016-07-05

    Based on a computational procedure for determining the functional derivative with respect to the density of any antisymmetric N-particle wave function for a non-interacting system that leads to the density, we devise a test as to whether or not a wave function known to lead to a given density corresponds to a solution of a Schrödinger equation for some potential. We examine explicitly the case of non-interacting systems described by Slater determinants. Here, numerical examples for the cases of a one-dimensional square-well potential with infinite walls and the harmonic oscillator potential illustrate the formalism.

  16. Photodissociation in quantum chaotic systems: Random-matrix theory of cross-section fluctuations

    SciTech Connect (OSTI)

    Fyodorov, Y.V. [Fachbereich Physik, Universitaet-GH Essen, D-45117 Essen (Germany)] [Fachbereich Physik, Universitaet-GH Essen, D-45117 Essen (Germany); Alhassid, Y. [Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, Connecticut 06520 (United States)] [Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, Connecticut 06520 (United States)

    1998-11-01

    Using the random matrix description of open quantum chaotic systems we calculate in closed form the universal autocorrelation function and the probability distribution of the total photodissociation cross section in the regime of quantum chaos. {copyright} {ital 1998} {ital The American Physical Society}

  17. 2009 Biochemical Conversion Platform Review Report

    SciTech Connect (OSTI)

    Ferrell, John

    2009-12-01

    This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the U.S. Department of Energy Biomass Program’s Biochemical Conversion platform review meeting, held on April 14-16, 2009, at the Sheraton Denver Downtown, Denver, Colorado.

  18. Black holes, compact objects and solar system tests in non-relativistic general covariant theory of gravity

    SciTech Connect (OSTI)

    Greenwald, Jared; Satheeshkumar, V.H.; Wang, Anzhong E-mail: VHSatheeshkumar@baylor.edu

    2010-12-01

    We study spherically symmetric static spacetimes generally filled with an anisotropic fluid in the nonrelativistic general covariant theory of gravity. In particular, we find that the vacuum solutions are not unique, and can be expressed in terms of the U(1) gauge field A. When solar system tests are considered, severe constraints on A are obtained, which seemingly pick up the Schwarzschild solution uniquely. In contrast to other versions of the Horava-Lifshitz theory, non-singular static stars made of a perfect fluid without heat flow can be constructed, due to the coupling of the fluid with the gauge field. These include the solutions with a constant pressure. We also study the general junction conditions across the surface of a star. In general, the conditions allow the existence of a thin matter shell on the surface. When applying these conditions to the perfect fluid solutions with the vacuum ones as describing their external spacetimes, we find explicitly the matching conditions in terms of the parameters appearing in the solutions. Such matching is possible even without the presence of a thin matter shell.

  19. Code System for Calculating the Radial and Axial Neutron Diffusion Coefficients in One-Group and Multigroup Theory.

    Energy Science and Technology Software Center (OSTI)

    1985-10-10

    MARCOPOLO calculates the radial and axial diffusion coefficients in one-group and multi-group theory for a cylinderized cell (Wigner-Seitz theory) with several concentric zones according to the isotropic shock or linear anisotropic shock hypotheses.

  20. Self-consistent field theory based molecular dynamics with linear system-size scaling

    SciTech Connect (OSTI)

    Richters, Dorothee; Khne, Thomas D.

    2014-04-07

    We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented by means of a properly modified Langevin equation. The predictive power of the present approach is illustrated using the example of liquid methane under extreme conditions.

  1. PERTURBATION THEORY IN THE ONE-PHASE REGION OF AN ELECTRON-ION SYSTEM

    SciTech Connect (OSTI)

    G. BAKER; J. JOHNSON

    2000-09-01

    The region of validity of our previously derived series expansion for the pressure of an electron-ion system in powers of the electron charge is investigated. For the case of Hydrogen, we both assess the radius of convergence of the series, as a function of the de Broglie density, and cross-compare the results with those from the spherical cellular model. These methods more or less agree in an understandable way, and indicate that the region of validity lies well inside the one-phase region. We are then in a position to combine the series results with our experiential knowledge and thus extend our assessment to general values of Z. Also, as is well known, there is a region of high density and low temperature where the pressure and the internal energy are almost independent of temperature. For this region we may, for each density, use the highest temperature for which that independence holds (to the desired accuracy) and thus extend the series results.

  2. 2009 Biochemical Conversion Platform Review Report | Department of Energy

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

    2009 Biochemical Conversion Platform Review Report 2009 Biochemical Conversion Platform Review Report This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the U.S. Department of Energy Biomass Program's Biochemical Conversion platform review meeting, held on April 14-16, 2009, at the Sheraton Denver Downtown, Denver, Colorado. obp_biochem_conversion_platform_review_2009.pdf (4.32 MB) More Documents & Publications 2009

  3. Biochemical Production of Ethanol from Corn Stover: 2007 State of

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

    Technology Model | Department of Energy Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model An update to the FY 2005 assessment of the state of technical research progress toward biochemical process goals. This assessment containins research results from 2006 and 2007. 43205.pdf (515.02 KB) More Documents & Publications Process Design and Economics for Biochemical Conversion

  4. 2011 Biomass Program Platform Peer Review: Biochemical Conversion |

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

    Department of Energy Biochemical Conversion 2011 Biomass Program Platform Peer Review: Biochemical Conversion This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the U.S. Department of Energy Biomass Program's Biochemical Platform Review meeting, held on February 14-16, 2011, at the Crowne Plaza Hotel in Downtown Denver, Colorado. 2011_biochem_review.pdf (2.31 MB) More Documents & Publications 2011 Biomass Program Peer

  5. 2015 Peer Review Presentations-Biochemical Conversion | Department of

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

    Energy Biochemical Conversion 2015 Peer Review Presentations-Biochemical Conversion The Bioenergy Technologies Office hosted its 2015 Project Peer Review on March 23-27, 2015, at the Hilton Mark Center in Alexandria, Virginia. The presentations from the biochemical conversion sessions are available to view and download below. For detailed session descriptions and presentation titles, view the 2015 Project Peer Review Program Booklet. biochemical_conversion_nagle_0110.pdf (2.2 MB)

  6. Apparatus and method for converting biomass to feedstock for biofuel and biochemical manufacturing processes

    DOE Patents [OSTI]

    Kania, John; Qiao, Ming; Woods, Elizabeth M.; Cortright, Randy D.; Myren, Paul

    2015-12-15

    The present invention includes improved systems and methods for producing biomass-derived feedstocks for biofuel and biochemical manufacturing processes. The systems and methods use components that are capable of transferring relatively high concentrations of solid biomass utilizing pressure variations between vessels, and allows for the recovery and recycling of heterogeneous catalyst materials.

  7. Theory for dynamical self arrest and gelation in microemulsions and the block copolymer systems

    SciTech Connect (OSTI)

    Wu, Sangwook

    2005-05-01

    The main purpose of this work is to investigate the glassy behavior of microemulsions and block copolymers. The origin of glassy behavior in microemulsions and block copolymers is frustration due to a competition between short-range interaction and long range interaction. According to the charge frustrated Ising model, the competition between ferromagnetic interaction and antiferromagnetic interaction is the origin of frustration in microemulsions. The competition between entropic effects and stoichiometric constraints responsible for the formation of micelles in microemulsions can lead to the emergence of a self generated glassy behavior in these systems. In the block copolymer, the competition between the repulsive short range interaction between monomers in polymer chains and the long range interaction by chemical bonds can lead to the emergence of a self generated glassy behavior. The criteria for the fluctuation induced first order transition and our microemulsion and block copolymer glasses are essentially the same. Both are a consequence of the large phase space of low energy excitations (14) (62) (all states with momenta q which fulfill |q| = q{sub m}) and are of at the most a moderate supercooling of the liquid state is required. This is strongly supported by the observation in Ref. (14) that the metastable states which are first to appear at a fluctuation induced first order transition are the ones build by a superposition of large amplitude waves of wavenumber q{sub m}, but with random orientations and phases, i.e. just the ones which form the metastable states of our microemulsion and block copolymer glass. (38)

  8. DENSE MULTIPHASE FLOW SIMULATION: CONTINUUM MODEL FOR POLY-DISPERSED SYSTEMS USING KINETIC THEORY

    SciTech Connect (OSTI)

    Moses Bogere

    2011-08-31

    The overall objective of the project was to verify the applicability of the FCMOM approach to the kinetic equations describing the particle flow dynamics. For monodispersed systems the fundamental equation governing the particle flow dynamics is the Boltzmann equation. During the project, the FCMOM was successfully applied to several homogeneous and in-homogeneous problems in different flow regimes, demonstrating that the FCMOM has the potential to be used to solve efficiently the Boltzmann equation. However, some relevant issues still need to be resolved, i.e. the homogeneous cooling problem (inelastic particles cases) and the transition between different regimes. In this report, the results obtained in homogeneous conditions are discussed first. Then a discussion of the validation results for in-homogeneous conditions is provided. And finally, a discussion will be provided about the transition between different regimes. Alongside the work on development of FCMOM approach studies were undertaken in order to provide insights into anisotropy or particles kinetics in riser hydrodynamics. This report includes results of studies of multiphase flow with unequal granular temperatures and analysis of momentum re-distribution in risers due to particle-particle and fluid-particle interactions. The study of multiphase flow with unequal granular temperatures entailed both simulation and experimental studies of two particles sizes in a riser and, a brief discussion of what was accomplished will be provided. And finally, a discussion of the analysis done on momentum re-distribution of gas-particles flow in risers will be provided. In particular a discussion of the remaining work needed in order to improve accuracy and predictability of riser hydrodynamics based on two-fluid models and how they can be used to model segregation in risers.

  9. 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.

  10. A Computer Code System for the Calculation of Reactivity and Kinetic Parameters by One-Dimensional Neutron Transport Perturbation Theory.

    Energy Science and Technology Software Center (OSTI)

    1985-02-01

    Version 00 TP1 is a transport theory code, developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry.

  11. Biochemical Conversion: Using Hydrolysis, Fermentation, and Catalysis to

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

    Make Fuels and Chemicals | Department of Energy Biochemical Conversion: Using Hydrolysis, Fermentation, and Catalysis to Make Fuels and Chemicals Biochemical Conversion: Using Hydrolysis, Fermentation, and Catalysis to Make Fuels and Chemicals BETO works with the emerging U.S. bioindustry to sustainably convert non-food biomass resources into cost-competitive biofuels, biopower, and bioproducts. biochemical_four_pager.pdf (2.61 MB) More Documents & Publications Replacing the Whole

  12. 2011 Biomass Program Platform Peer Review: Biochemical Conversion

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

    Biochemical Platform Review Report BIOMASS PROGRAM BIOCHEMICAL 2011 Platform Review Report An Independent Evaluation of Platform Activities for FY 2010 and FY 2011 Review Date February 14-16, 2011 February 2012 Department of Energy Washington, D.C. 20585 Dear Colleague: This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the U.S. Department of Energy Biomass Program's Biochemical Platform Review meeting, held on February 14-16,

  13. Modeling Tomorrow's Biorefinery--the NREL Biochemical Pilot Plant

    SciTech Connect (OSTI)

    Not Available

    2008-03-01

    Brochure describing the capabilities of NREL's Biochemical Pilot Plant. In this facility, researchers test ideas for creating high-value products from cellulosic biomass.

  14. Improving Microalgal Oil Production Based on Quantitative, Biochemical...

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

    Microalgal Oil Production Based on Quantitative, Biochemical and Genetic Analyses of ... Goal Statement * Maximizing production of oil (triacylglycerols) in the green alga ...

  15. Process Design and Economics for Biochemical Conversion of Lignocellul...

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

    to Ethanol: Dilute-Acid Pretreatment and Enzymatic Hydrolysis of Corn Stover Process Design and Economics for Biochemical Conversion of Lignocellulosic Biomass to Ethanol: ...

  16. Neutrino Theory

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

    Neutrino Theory Neutrino Theory Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email Bruce Carlsten (505) 667-5657 Email Neutrino Theory solar neutrino Figure 1: Impact of the solar neutrino mass splitting on collective oscillations of supernova neutrinos. Notice that while the strictly vanishing splitting gives the two-flavor result, even a tiny nonzero value qualitatively changes the answer. From [1]. Neutrino physics underwent

  17. Graph Theory

    SciTech Connect (OSTI)

    Sanfilippo, Antonio P.

    2005-12-27

    Graph theory is a branch of discrete combinatorial mathematics that studies the properties of graphs. The theory was pioneered by the Swiss mathematician Leonhard Euler in the 18th century, commenced its formal development during the second half of the 19th century, and has witnessed substantial growth during the last seventy years, with applications in areas as diverse as engineering, computer science, physics, sociology, chemistry and biology. Graph theory has also had a strong impact in computational linguistics by providing the foundations for the theory of features structures that has emerged as one of the most widely used frameworks for the representation of grammar formalisms.

  18. Multiple capillary biochemical analyzer with barrier member

    DOE Patents [OSTI]

    Dovichi, Norman J.; Zhang, Jian Z.

    1996-01-01

    A multiple capillary biochemical analyzer for sequencing DNA and performing other analyses, in which a set of capillaries extends from wells in a microtiter plate into a cuvette. In the cuvette the capillaries are held on fixed closely spaced centers by passing through a sandwich construction having a pair of metal shims which squeeze between them a rubber gasket, forming a leak proof seal for an interior chamber in which the capillary ends are positioned. Sheath fluid enters the chamber and entrains filament sample streams from the capillaries. The filament sample streams, and sheath fluid, flow through aligned holes in a barrier member spaced close to the capillary ends, into a collection chamber having a lower glass window. The filament streams are illuminated above the barrier member by a laser, causing them to fluoresce. The fluorescence is viewed end-on by a CCD camera chip located below the glass window. The arrangement ensures an equal optical path length from all fluorescing spots to the CCD chip and also blocks scattered fluorescence illumination, providing more uniform results and an improved signal to noise ratio.

  19. Multiple capillary biochemical analyzer with barrier member

    DOE Patents [OSTI]

    Dovichi, N.J.; Zhang, J.Z.

    1996-10-22

    A multiple capillary biochemical analyzer is disclosed for sequencing DNA and performing other analyses, in which a set of capillaries extends from wells in a microtiter plate into a cuvette. In the cuvette the capillaries are held on fixed closely spaced centers by passing through a sandwich construction having a pair of metal shims which squeeze between them a rubber gasket, forming a leak proof seal for an interior chamber in which the capillary ends are positioned. Sheath fluid enters the chamber and entrains filament sample streams from the capillaries. The filament sample streams, and sheath fluid, flow through aligned holes in a barrier member spaced close to the capillary ends, into a collection chamber having a lower glass window. The filament streams are illuminated above the barrier member by a laser, causing them to fluoresce. The fluorescence is viewed end-on by a CCD camera chip located below the glass window. The arrangement ensures an equal optical path length from all fluorescing spots to the CCD chip and also blocks scattered fluorescence illumination, providing more uniform results and an improved signal-to-noise ratio. 12 figs.

  20. 2011 Biomass Program Platform Peer Review: Biochemical Conversion

    SciTech Connect (OSTI)

    Pezzullo, Leslie

    2012-02-01

    This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the 2011 U.S. Department of Energy Biomass Program’s Biochemical Conversion Platform Review meeting.

  1. Biochemical Production of Ethanol from Corn Stover: 2008 State...

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

    DE-AC36-08-GO28308 Technical Report NRELTP-510-46214 August 2009 Biochemical Production of ... the FY 2008 SOT, the assumed cost of cellulase enzymes was updated from 0.32gal to ...

  2. Theory and experiments on the effects of perturbations on nonlinear chemical systems: Generation of multiple attractors and efficiency

    SciTech Connect (OSTI)

    Hjelmfelt, A.; Harding, R.H.; Tsujimoto, K.K.; Ross, J. (Department of Chemistry, Stanford University, Stanford, California 94305 (US))

    1990-03-15

    Periodic perturbations are applied to the input fluxes of reactants in a system which exhibits autonomous oscillations, the combustion of acetaldehyde (ACH) and oxygen, and a system which exhibits damped oscillations, the combustion of methane and oxygen. The ACH system is studied by experiments and numerical analysis and the methane system is studied by numerical analysis. The periodic perturbations are in the form of a two-term Fourier series. Such perturbations may generate multiple attractors, which are either periodic or chaotic. We discuss two types of bistable responses: a new phase bistability, in which a subharmonic frequency is added to a sinusoidal perturbation at different phases relative to the periodic response; and jump phenomena, in which the resonant frequency of a nonlinear oscillator depends on the amplitude of the periodic perturbation. Both the ACH and the methane systems confirm the phase bistability. The additional complex behavior of bistability due to jump phenomena is seen only in calculations in the methane system. In both types of bistability a hysteresis loop is formed as we vary the form of the periodic perturbation. In the methane system, we find period doubling to chaos occuring on one branch of the hysteresis loop while the other branch remains periodic. The methane system has been studied in the context of the efficiency of power production. We calculate the efficiency corresponding to each bistable attractor and find one branch of each pair to be the more efficient mode of operation. In the case of the coexisting periodic and chaotic attractors the chaotic attractor is the more efficient mode of operation.

  3. Structural, magnetic, and electronic properties of the Co-Fe-Al oxide spinel system: Density-functional theory calculations

    SciTech Connect (OSTI)

    Walsh, Aron; Wei, S.-H.; Yan Yanfa; Al-Jassim, M. M.; Turner, John A.; Woodhouse, Michael; Parkinson, B. A.

    2007-10-15

    A systematic study of nine binary and ternary spinel oxides formed from Co, Al, and Fe is presented by means of density functional theory. Analysis of the structural, magnetic, and electronic properties through the series of materials is carried out. Preference for the octahedral spinel sites are found in the order Fe

  4. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #23, April-June 2009

    SciTech Connect (OSTI)

    Schell, D.

    2009-08-01

    April to June, 2009 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter.

  5. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #17, October-December 2007

    SciTech Connect (OSTI)

    Schell, D.

    2008-01-01

    October to December, 2007 edition of the newsletter of the Biochemical Platform Process Integration project.

  6. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #20, July-September 2008

    SciTech Connect (OSTI)

    Schell, D. J.

    2008-12-01

    July to September, 2008 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter.

  7. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #25, October - December 2009

    SciTech Connect (OSTI)

    Schell, D.

    2010-01-01

    October to December, 2009 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter.

  8. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #22, January - March 2009

    SciTech Connect (OSTI)

    Not Available

    2009-04-01

    January to March, 2009 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter.

  9. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #24, July-September 2009

    SciTech Connect (OSTI)

    Schell, D.

    2009-10-01

    July to September, 2009 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter.

  10. Method and apparatus for energy efficient self-aeration in chemical, biochemical, and wastewater treatment processes

    DOE Patents [OSTI]

    Gao, Johnway [Richland, WA; Skeen, Rodney S [Pendleton, OR

    2002-05-28

    The present invention is a pulse spilling self-aerator (PSSA) that has the potential to greatly lower the installation, operation, and maintenance cost associated with aerating and mixing aqueous solutions. Currently, large quantities of low-pressure air are required in aeration systems to support many biochemical production processes and wastewater treatment plants. Oxygen is traditionally supplied and mixed by a compressor or blower and a mechanical agitator. These systems have high-energy requirements and high installation and maintenance costs. The PSSA provides a mixing and aeration capability that can increase operational efficiency and reduce overall cost.

  11. A Computational Model for the Identification of Biochemical Pathways in the Krebs Cycle

    SciTech Connect (OSTI)

    Oliveira, Joseph S.; Bailey, Colin G.; Jones-Oliveira, Janet B.; Dixon, David A.; Gull, Dean W.; Chandler, Mary L.

    2003-03-01

    We have applied an algorithmic methodology which provably decomposes any complex network into a complete family of principal subcircuits to study the minimal circuits that describe the Krebs cycle. Every operational behavior that the network is capable of exhibiting can be represented by some combination of these principal subcircuits and this computational decomposition is linearly efficient. We have developed a computational model that can be applied to biochemical reaction systems which accurately renders pathways of such reactions via directed hypergraphs (Petri nets). We have applied the model to the citric acid cycle (Krebs cycle). The Krebs cycle, which oxidizes the acetyl group of acetyl CoA to CO2 and reduces NAD and FAD to NADH and FADH2 is a complex interacting set of nine subreaction networks. The Krebs cycle was selected because of its familiarity to the biological community and because it exhibits enough complexity to be interesting in order to introduce this novel analytic approach. This study validates the algorithmic methodology for the identification of significant biochemical signaling subcircuits, based solely upon the mathematical model and not upon prior biological knowledge. The utility of the algebraic-combinatorial model for identifying the complete set of biochemical subcircuits as a data set is demonstrated for this important metabolic process.

  12. Model-Predictive Cascade Mitigation in Electric Power Systems With Storage and Renewables-Part I: Theory and Implementation

    SciTech Connect (OSTI)

    Almassalkhi, MR; Hiskens, IA

    2015-01-01

    A novel model predictive control (MPC) scheme is developed for mitigating the effects of severe line-overload disturbances in electrical power systems. A piece-wise linear convex approximation of line losses is employed to model the effect of transmission line power flow on conductor temperatures. Control is achieved through a receding-horizon model predictive control (MPC) strategy which alleviates line temperature overloads and thereby prevents the propagation of outages. The MPC strategy adjusts line flows by rescheduling generation, energy storage and controllable load, while taking into account ramp-rate limits and network limitations. In Part II of this paper, the MPC strategy is illustrated through simulation of the IEEE RTS-96 network, augmented to incorporate energy storage and renewable generation.

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

    SciTech Connect (OSTI)

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

    2015-03-07

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

  14. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems

    SciTech Connect (OSTI)

    Tsuchimochi, Takashi

    2015-10-14

    Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

  15. THE EVOLUTION OF CIRCUMPLANETARY DISKS AROUND PLANETS IN WIDE ORBITS: IMPLICATIONS FOR FORMATION THEORY, OBSERVATIONS, AND MOON SYSTEMS

    SciTech Connect (OSTI)

    Shabram, Megan; Boley, Aaron C.

    2013-04-10

    Using radiation hydrodynamics simulations, we explore the evolution of circumplanetary disks around wide-orbit proto-gas giants. At large distances from the star ({approx}100 AU), gravitational instability followed by disk fragmentation can form low-mass substellar companions (massive gas giants and/or brown dwarfs) that are likely to host large disks. We examine the initial evolution of these subdisks and their role in regulating the growth of their substellar companions, as well as explore consequences of their interactions with circumstellar material. We find that subdisks that form in the context of GIs evolve quickly from a very massive state. Long-term accretion rates from the subdisk onto the proto-gas giant reach {approx}0.3 Jupiter masses kyr{sup -1}. We also find consistency with previous simulations, demonstrating that subdisks are truncated at {approx}1/3 of the companion's Hill radius and are thick, with (h/r) of {approx}> 0.2. The thickness of subdisks draws to question the use of thin-disk approximations for understanding the behavior of subdisks, and the morphology of subdisks has implications for the formation and extent of satellite systems. These subdisks create heating events in otherwise cold regions of the circumstellar disk and serve as planet formation beacons that can be detected by instruments such as ALMA.

  16. Advanced biochemical processes for geothermal brines FY 1998 annual operating plan

    SciTech Connect (OSTI)

    1997-10-01

    As part of the overall Geothermal Energy Research which is aimed at the development of economical geothermal resources production systems, the aim of the Advanced Biochemical Processes for Geothermal Brines (ABPGB) effort is the development of economic and environmentally acceptable methods for disposal of geothermal wastes and conversion of by-products to useful forms. Methods are being developed for dissolution, separation and immobilization of geothermal wastes suitable for disposal, usable in inert construction materials, suitable for reinjection into the reservoir formation, or used for recovery of valuable metals.

  17. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #26, January - March 2010

    SciTech Connect (OSTI)

    Schell, D.

    2010-04-01

    January-March, 2010 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter. Issue topics: understanding and improving sugar measurements in biomass hydrolysates; expansion of the NREL/DOE Biochemical Pilot Plant.

  18. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #13, October-December 2006

    SciTech Connect (OSTI)

    Schell, D. J.

    2007-01-01

    Volume 13 of a quarterly newsletter that describes the activities of the National Bioenergy Center's Biochemical Processing Integration Task.

  19. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #21, October - December 2008

    SciTech Connect (OSTI)

    Schell, D.

    2009-01-01

    October to December, 2008 edition of the National Bioenergy Center?s Biochemical Platform Integration Project quarterly newsletter.

  20. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #14, January - March 2007

    SciTech Connect (OSTI)

    Schell, D.

    2007-04-01

    Volume 14 of a quarterly newsletter that describes the activities of the National Bioenergy Center's Biochemical Processing Integration Task.

  1. National Bioenergy Center Biochemical Platform Process Integration Project: Quarterly Update #18, January-March 2008

    SciTech Connect (OSTI)

    Schell, D.

    2008-04-01

    January-March, 2008 edition of the quarterly update for the National Bioenergy Center's Biochemical Platform Integration Project.

  2. Salinas : theory manual.

    SciTech Connect (OSTI)

    Walsh, Timothy Francis; Reese, Garth M.; Bhardwaj, Manoj Kumar

    2011-11-01

    Salinas provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Salinas. For a more detailed description of how to use Salinas, we refer the reader to Salinas, User's Notes. Many of the constructs in Salinas are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Salinas are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature.

  3. The Theory of Variances in Equilibrium Reconstruction

    SciTech Connect (OSTI)

    Zakharov, Leonid E.; Lewandowski, Jerome; Foley, Elizabeth L.; Levinton, Fred M.; Yuh, Howard Y.; Drozdov, Vladimir; McDonald, Darren

    2008-01-14

    The theory of variances of equilibrium reconstruction is presented. It complements existing practices with information regarding what kind of plasma profiles can be reconstructed, how accurately, and what remains beyond the abilities of diagnostic systems. The #27;σ-curves, introduced by the present theory, give a quantitative assessment of quality of effectiveness of diagnostic systems in constraining equilibrium reconstructions. The theory also suggests a method for aligning the accuracy of measurements of different physical nature.

  4. Dark Matter Theory

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

    Dark Matter Theory Dark Matter Theory Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email Bruce Carlsten (505) ...

  5. Applications of biochemical processes in geothermal and other industries

    SciTech Connect (OSTI)

    Premuzic, E.T.; Lin, M.S.; Jin, J.Z.

    1994-06-01

    Laboratory studies aimed at the development of economically and technically feasible, and environmentally acceptable technology for the disposal of geothermal sludges and wastes have led to the development of biochemical processes which meet the above conditions. A pilot-scale plant has been constructed and used to identify process variables and optimize processing conditions. The total process is flexible and can be used in several modes of operation which include (1) solubilization and removal of many metals, including radionuclides, from brines and sludges; (2) selective removal of a few metals; (3) concentration of metals; (4) recovery of metals; and (5) recovery of salts. The end product is a silica-type material which meets regulatory requirements, while the aqueous phase meets drinking water standards and can be reinjected and/or used for irrigation. Preliminary engineering studies of the metal and salt recovery technologies have indicated that significant cost benefits could be obtained by means of combined processing. Recent accomplishments in the development of new biochemical technologies will be discussed in this paper.

  6. A theory of deterrence

    SciTech Connect (OSTI)

    Erickson, S.A. Jr.

    1991-03-20

    The purpose of this monograph is to start a theory of deterrence which has the capability of quantitatively answering the question of what is required to deter a nation or alliance from certain acts. Despite the existence of voluminous writing on deterrence, from the beginning of the nuclear age and even before, none of it attempts a theoretical discussion of how to calculate what it takes to deter a country from committing some acts which are objectionable to another country. Many theories of deterrence have already been created. They have exclusively been of two separate forms -- those of the social scientists, which deal with political questions, and how the concept of mass destruction psychological deters the initiation of war; and those of the mathematicians, who model the quantities of one country`s arsenal of strategic systems needed to destroy a certain portion of another country`s. Only the latter is quantitative, but they lack an essential element added to answer the question ``How much is enough?`` In order to use the techniques of operations research on the questions of what type and amount of weapons are adequate for deterrence, the definitions of quantities occurring in the calculations need to be made in quantifiable way. Numbers of weapons have been the only quantified parameter in previous deterrence calculations. Yet weapons alone do not deter. The threat of destruction and damage does. How is that threatenable damage to be measured, and as through defensive system construction, counterforce capability improvement, arms control, or other means, it becomes less when is the threshold for deterrence met and crossed? The calculation of this damage, and the implication of that damage to decision-makers capable of making a war initiation decision, is a complicated process, and it is what constitutes a theory of deterrence. 36 refs.

  7. Simulation of biochemical reactions with time-dependent rates by the rejection-based algorithm

    SciTech Connect (OSTI)

    Thanh, Vo Hong; Priami, Corrado

    2015-08-07

    We address the problem of simulating biochemical reaction networks with time-dependent rates and propose a new algorithm based on our rejection-based stochastic simulation algorithm (RSSA) [Thanh et al., J. Chem. Phys. 141(13), 134116 (2014)]. The computation for selecting next reaction firings by our time-dependent RSSA (tRSSA) is computationally efficient. Furthermore, the generated trajectory is exact by exploiting the rejection-based mechanism. We benchmark tRSSA on different biological systems with varying forms of reaction rates to demonstrate its applicability and efficiency. We reveal that for nontrivial cases, the selection of reaction firings in existing algorithms introduces approximations because the integration of reaction rates is very computationally demanding and simplifying assumptions are introduced. The selection of the next reaction firing by our approach is easier while preserving the exactness.

  8. Parallel macromolecular delivery and biochemical/electrochemical interface to cells employing nanostructures

    SciTech Connect (OSTI)

    McKnight, Timothy E; Melechko, Anatoli V; Griffin, Guy D; Guillorn, Michael A; Merkulov, Vladimir L; Simpson, Michael L

    2015-03-31

    Systems and methods are described for parallel macromolecular delivery and biochemical/electrochemical interface to whole cells employing carbon nanostructures including nanofibers and nanotubes. A method includes providing a first material on at least a first portion of a first surface of a first tip of a first elongated carbon nanostructure; providing a second material on at least a second portion of a second surface of a second tip of a second elongated carbon nanostructure, the second elongated carbon nanostructure coupled to, and substantially parallel to, the first elongated carbon nanostructure; and penetrating a boundary of a biological sample with at least one member selected from the group consisting of the first tip and the second tip.

  9. Biobased Chemicals Landscape in 2015: What's the Role of Biochemicals in

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

    the Bioeconomy? | Department of Energy Biobased Chemicals Landscape in 2015: What's the Role of Biochemicals in the Bioeconomy? Biobased Chemicals Landscape in 2015: What's the Role of Biochemicals in the Bioeconomy? Breakout 3-B: The Changing Landscapes for Biobased Chemicals: A Decade After the Top Value Added Chemicals from Biomass Biobased Chemicals Landscape in 2015: What's the Role of Biochemicals in the Bioeconomy? Ken Williams, Program Leader/Principal Chemical Engineer, Nature

  10. Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model

    SciTech Connect (OSTI)

    Aden, A.

    2008-05-01

    An update to the FY 2005 assessment of the state of technical research progress toward biochemical process goals. This assessment contains research results from 2006 and 2007.

  11. Biochemical Production of Ethanol from Corn Stover: 2008 State of Technology Model

    SciTech Connect (OSTI)

    Humbird, D.; Aden, A.

    2009-08-01

    An update to the FY 2007 assessment of the state of technical research progress toward biochemical process goals, quantified in terms of Minimum Ethanol Selling Price.

  12. Using Fermentation and Catalysis to Make Fuels and Products: Biochemical Conversion

    SciTech Connect (OSTI)

    2010-09-01

    Information about the Biomass Program's collaborative projects to improve processing routes for biochemical conversion, which entails breaking down biomass to make the carbohydrates available for conversion into sugars.

  13. Alpha particles in effective field theory

    SciTech Connect (OSTI)

    Caniu, C.

    2014-11-11

    Using an effective field theory for alpha (?) particles at non-relativistic energies, we calculate the strong scattering amplitude modified by Coulomb corrections for a system of two ?s. For the strong interaction, we consider a momentum-dependent interaction which, in contrast to an energy dependent interaction alone [1], could be more useful in extending the theory to systems with more than two ? particles. We will present preliminary results of our EFT calculations for systems with two alpha particles.

  14. Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems

    SciTech Connect (OSTI)

    Nakata, Hiroya; RIKEN, Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198 ; Fedorov, Dmitri G.; Yokojima, Satoshi; Tokyo University of Pharmacy and Life Sciences, 1423-1 Horinouchi, Hachioji-shi, Tokyo 192-0392 ; Kitaura, Kazuo; Sakurai, Minoru; Nakamura, Shinichiro

    2014-04-14

    We extended the fragment molecular orbital (FMO) method interfaced with density functional theory (DFT) into spin unrestricted formalism (UDFT) and developed energy gradients for the ground state and single point excited state energies based on time-dependent DFT. The accuracy of FMO is evaluated in comparison to the full calculations without fragmentation. Electronic excitations in solvated organic radicals and in the blue copper protein, plastocyanin (PDB code: 1BXV), are reported. The contributions of solvent molecules to the electronic excitations are analyzed in terms of the fragment polarization and quantum effects such as interfragment charge transfer.

  15. [Mathematics and string theory

    SciTech Connect (OSTI)

    Jaffe, A.; Yau, Shing-Tung.

    1993-01-01

    Work on this grant was centered on connections between non- commutative geometry and physics. Topics covered included: cyclic cohomology, non-commutative manifolds, index theory, reflection positivity, space quantization, quantum groups, number theory, etc.

  16. Geometric Hamiltonian structures and perturbation theory

    SciTech Connect (OSTI)

    Omohundro, S.

    1984-08-01

    We have been engaged in a program of investigating the Hamiltonian structure of the various perturbation theories used in practice. We describe the geometry of a Hamiltonian structure for non-singular perturbation theory applied to Hamiltonian systems on symplectic manifolds and the connection with singular perturbation techniques based on the method of averaging.

  17. Application of Biochemical and Physiological Indicators for Assessing Recovery of Fish Populations in a Disturbed Stream

    SciTech Connect (OSTI)

    Adams, S. M.; Ham, Kenneth D.

    2011-06-01

    Recovery dynamics in a previously disturbed streamwere investigated to determine the influence of a series of remedial actions on stream recovery and to evaluate the potential application of bioindicators as an environmental management tool. A suite of bioindicators, representing five different functional response groups, were measured annually for a sentinel fish species over a 15 year period during which a variety of remedial and pollution abatement actions were implemented. Trends in biochemical, physiological, condition, growth, bioenergetic, and nutritional responses demonstrated that the health status of a sentinel fish species in the disturbed stream approached that of fish in the reference stream by the end of the study. Two major remedial actions, dechlorination and water flow management, had large effects on stream recovery resulting in an improvement in the bioenergetic, disease, nutritional, and organ condition status of the sentinel fish species. A subset of bioindicators responded rather dramatically to temporal trends affecting all sites, but some indicators showed little response to disturbance or to restoration activities. In assessing recovery of aquatic systems, application of appropriate integrative structural indices along with a variety of sensitive functional bioindicators should be used to understand the mechanistic basis of stress and recovery and to reduce the risk of false positives. Understanding the mechanistic processes involved between stressors, stress responses of biota, and the recovery dynamics of aquatic systems reduces the uncertainty involved in environmental management and regulatory decisions resulting in an increased ability to predict the consequences of restoration and remedial actions for aquatic systems.

  18. Modeling the Physical and Biochemical Influence of Ocean Thermal Energy Conversion Plant Discharges into their Adjacent Waters

    Broader source: Energy.gov [DOE]

    Modeling the Physical and Biochemical Influence of Ocean Thermal Energy Conversion Plant Discharges into their Adjacent Waters

  19. NREL 2012 Achievement of Ethanol Cost Targets: Biochemical Ethanol...

    Office of Scientific and Technical Information (OSTI)

    flow rate. In the new design, the evaporator system, membrane reactor, and reverse osmosis system are scaled on hydraulic flow rate, while the anaerobic digester, aeration...

  20. Method for detection of long-lived radioisotopes in small biochemical samples

    DOE Patents [OSTI]

    Turteltaub, K.W.; Vogel, J.S.; Felton, J.S.; Gledhill, B.L.; Davis, J.C.

    1994-11-22

    Disclosed is a method for detection of long-lived radioisotopes in small biochemical samples, comprising: a. selecting a biological host in which radioisotopes are present in concentrations equal to or less than those in the ambient biosphere, b. preparing a long-lived radioisotope labeled reactive chemical specie, c. administering the chemical specie to the biologist host in doses sufficiently low to avoid significant overt damage to the biological system, d. allowing a period of time to elapse sufficient for dissemination and interaction of the chemical specie with the host throughout the biological system of the host, e. isolating a reacted fraction of the biological substance from the host in a manner sufficient to avoid contamination of the substance from extraneous sources, f. converting the fraction of biological substance by suitable means to a material which efficiently produces charged ions in at least one of several possible ion sources without introduction of significant isotopic fractionation, and, g. measuring the radioisotope concentration in the material by means of direct isotopic counting. 5 figs.

  1. Method for detection of long-lived radioisotopes in small biochemical samples

    DOE Patents [OSTI]

    Turteltaub, Kenneth W.; Vogel, John S.; Felton, James S.; Gledhill, Barton L.; Davis, Jay C.

    1994-01-01

    Disclosed is a method for detection of long-lived radioisotopes in small bio-chemical samples, comprising: a. selecting a biological host in which radioisotopes are present in concentrations equal to or less than those in the ambient biosphere, b. preparing a long-lived radioisotope labeled reactive chemical specie, c. administering said chemical specie to said biologist host in doses sufficiently low to avoid significant overt damage to the biological system thereof, d. allowing a period of time to elapse sufficient for dissemination and interaction of said chemical specie with said host throughout said biological system of said host, e. isolating a reacted fraction of the biological substance from said host in a manner sufficient to avoid contamination of said substance from extraneous sources, f. converting said fraction of biological substance by suitable means to a material which efficiently produces charged ions in at least one of several possible ion sources without introduction of significant isotopic fractionation, and, g. measuring the radioisotope concentration in said material by means of direct isotopic counting.

  2. National Bioenergy Center, Biochemical Platform Integration Project: Quarterly Update, Winter 2011-2012 (Newsletter)

    SciTech Connect (OSTI)

    Not Available

    2012-04-01

    Winter 2011-2012 issue of the National Bioenergy Center Biochemical Platform Integration Project quarterly update. Issue topics: 34th Symposium on Biotechnology for Fuels and Chemicals; feasibility of NIR spectroscopy-based rapid feedstock reactive screening; demonstrating integrated pilot-scale biomass conversion. The Biochemical Process Integration Task focuses on integrating the processing steps in enzyme-based lignocellulose conversion technology. This project supports the U.S. Department of Energy's efforts to foster development, demonstration, and deployment of 'biochemical platform' biorefineries that economically produce ethanol or other fuels, as well as commodity sugars and a variety of other chemical products, from renewable lignocellulosic biomass.

  3. Automated Lattice Perturbation Theory

    SciTech Connect (OSTI)

    Monahan, Christopher

    2014-11-01

    I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.

  4. Theory, Modeling and Computation

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

    Theory, Modeling and Computation Theory, Modeling and Computation The sophistication of modeling and simulation will be enhanced not only by the wealth of data available from MaRIE but by the increased computational capacity made possible by the advent of extreme computing. CONTACT Jack Shlachter (505) 665-1888 Email Extreme Computing to Power Accurate Atomistic Simulations Advances in high-performance computing and theory allow longer and larger atomistic simulations than currently possible.

  5. Theory Modeling and Simulation

    SciTech Connect (OSTI)

    Shlachter, Jack

    2012-08-23

    Los Alamos has a long history in theory, modeling and simulation. We focus on multidisciplinary teams that tackle complex problems. Theory, modeling and simulation are tools to solve problems just like an NMR spectrometer, a gas chromatograph or an electron microscope. Problems should be used to define the theoretical tools needed and not the other way around. Best results occur when theory and experiments are working together in a team.

  6. The Big Bang Theory

    SciTech Connect (OSTI)

    Lincoln, Don

    2014-09-30

    The Big Bang is the name of the most respected theory of the creation of the universe. Basically, the theory says that the universe was once smaller and denser and has been expending for eons. One common misconception is that the Big Bang theory says something about the instant that set the expansion into motion, however this isn’t true. In this video, Fermilab’s Dr. Don Lincoln tells about the Big Bang theory and sketches some speculative ideas about what caused the universe to come into existence.

  7. Effective medium theory

    SciTech Connect (OSTI)

    Krokhin, Arkadii

    2014-04-18

    New applications of the theory of homogenization for heterogeneous metamaterials, in particular for acoustic cloaking and for design and engineering of tunable phononic crystal.

  8. SECTION III: NUCLEAR THEORY

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

    the phase-space integral ...III-1 I. S. Towner and J. C. Hardy The evaluation of V ud , experiment and theory ......

  9. National Bioenergy Center--Biochemical Platform Integration Project: Quarterly Update, Fall 2010

    SciTech Connect (OSTI)

    Schell, D.

    2010-12-01

    Fall 2010 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter. Issue topics: rapid analysis models for compositional analysis of intermediate process streams; engineered arabinose-fermenting Zymomonas mobilis strain.

  10. Biochemical Conversion: Using Enzymes, Microbes, and Catalysis to Make Fuels and Chemicals

    SciTech Connect (OSTI)

    2013-07-26

    This fact sheet describes the Bioenergy Technologies Office's biochemical conversion work and processes. BETO conducts collaborative research, development, and demonstration projects to improve several processing routes for the conversion of cellulosic biomass.

  11. Technical Market Analysis for Biochemical Conversion Presentation for BETO 2015 Project Peer Review

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

    Technical Market Analysis for Biochemical Conversion March 23, 2015 Biochemical Conversion Jim Collett and Mark Butcher PNNL This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement Challenge: Process and economic data on hydrocarbon production via bioconversion that are freely available to industry are limited. Data at industrially-relevant scales are limited because published research focuses mainly on compound discovery at lab-scale

  12. Prediction of microalgae hydrothermal liquefaction products from feedstock biochemical composition

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

    Leow, Shijie; Witter, John R.; Vardon, Derek R.; Sharma, Brajendra K.; Guest, Jeremy S.; Strathmann, Timothy J.

    2015-05-11

    Hydrothermal liquefaction (HTL) uses water under elevated temperatures and pressures (200–350 °C, 5–20 MPa) to convert biomass into liquid “biocrude” oil. Despite extensive reports on factors influencing microalgae cell composition during cultivation and separate reports on HTL products linked to cell composition, the field still lacks a quantitative model to predict HTL conversion product yield and qualities from feedstock biochemical composition; the tailoring of microalgae feedstock for downstream conversion is a unique and critical aspect of microalgae biofuels that must be leveraged upon for optimization of the whole process. This study developed predictive relationships for HTL biocrude yield and othermore » conversion product characteristics based on HTL of Nannochloropsis oculata batches harvested with a wide range of compositions (23–59% dw lipids, 58–17% dw proteins, 12–22% dw carbohydrates) and a defatted batch (0% dw lipids, 75% dw proteins, 19% dw carbohydrates). HTL biocrude yield (33–68% dw) and carbon distribution (49–83%) increased in proportion to the fatty acid (FA) content. A component additivity model (predicting biocrude yield from lipid, protein, and carbohydrates) was more accurate predicting literature yields for diverse microalgae species than previous additivity models derived from model compounds. FA profiling of the biocrude product showed strong links to the initial feedstock FA profile of the lipid component, demonstrating that HTL acts as a water-based extraction process for FAs; the remainder non-FA structural components could be represented using the defatted batch. These findings were used to introduce a new FA-based model that predicts biocrude oil yields along with other critical parameters, and is capable of adjusting for the wide variations in HTL methodology and microalgae species through the defatted batch. Lastly, the FA model was linked to an upstream cultivation model (Phototrophic Process Model

  13. Prediction of microalgae hydrothermal liquefaction products from feedstock biochemical composition

    SciTech Connect (OSTI)

    Leow, Shijie; Witter, John R.; Vardon, Derek R.; Sharma, Brajendra K.; Guest, Jeremy S.; Strathmann, Timothy J.

    2015-05-11

    Hydrothermal liquefaction (HTL) uses water under elevated temperatures and pressures (200–350 °C, 5–20 MPa) to convert biomass into liquid “biocrude” oil. Despite extensive reports on factors influencing microalgae cell composition during cultivation and separate reports on HTL products linked to cell composition, the field still lacks a quantitative model to predict HTL conversion product yield and qualities from feedstock biochemical composition; the tailoring of microalgae feedstock for downstream conversion is a unique and critical aspect of microalgae biofuels that must be leveraged upon for optimization of the whole process. This study developed predictive relationships for HTL biocrude yield and other conversion product characteristics based on HTL of Nannochloropsis oculata batches harvested with a wide range of compositions (23–59% dw lipids, 58–17% dw proteins, 12–22% dw carbohydrates) and a defatted batch (0% dw lipids, 75% dw proteins, 19% dw carbohydrates). HTL biocrude yield (33–68% dw) and carbon distribution (49–83%) increased in proportion to the fatty acid (FA) content. A component additivity model (predicting biocrude yield from lipid, protein, and carbohydrates) was more accurate predicting literature yields for diverse microalgae species than previous additivity models derived from model compounds. FA profiling of the biocrude product showed strong links to the initial feedstock FA profile of the lipid component, demonstrating that HTL acts as a water-based extraction process for FAs; the remainder non-FA structural components could be represented using the defatted batch. These findings were used to introduce a new FA-based model that predicts biocrude oil yields along with other critical parameters, and is capable of adjusting for the wide variations in HTL methodology and microalgae species through the defatted batch. Lastly, the FA model was linked to an upstream cultivation model (Phototrophic Process Model

  14. Impact of feedstock quality and variation on biochemical and thermochemical conversion

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

    Li, Chenlin; Aston, John E.; Lacey, Jeffrey A.; Thompson, Vicki S.; Thompson, David N.

    2016-07-21

    The production of biofuels from lignocellulosic feedstock is attracting considerable attention in the United States and globally as a strategy to diversify energy resources, spur regional economic development and reduce greenhouse gas emissions. Because of the wide variation in feedstock types, compositions and content of convertible organics, there is a growing need to better understand correlations among feedstock quality attributes and conversion performance. Knowledge of the feedstock impact on conversion is essential to supply quality controlled, uniform and on-spec feedstocks to biorefineries. This review paper informs the development of meaningful feedstock quality specifications for different conversion processes. Discussions are focusedmore » on how compositional properties of feedstocks affect various unit operations in biochemical conversion processes, fast pyrolysis and hydrothermal liquefaction. In addition, future perspectives are discussed that focus on the challenges and prospects of addressing compositionally intrinsic inhibitors through feedstock preprocessing at regionally distributed depots. As a result, such preprocessing depots may allow for the commoditization of lignocellulosic feedstock and realization of stable, cost-effective and quality controlled biomass supply systems.« less

  15. Self-consistent second-order Green's function perturbation theory...

    Office of Scientific and Technical Information (OSTI)

    Self-consistent second-order Green's function perturbation theory for periodic systems ... Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud ...

  16. Sierra Structural Dynamics Theory Manual

    SciTech Connect (OSTI)

    Reese, Garth M.

    2015-10-19

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.

  17. Dark Matter Theory

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

    Dark Matter Theory Dark Matter Theory Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email Bruce Carlsten (505) 667-5657 Email Dark Matter Theory The existence of dark matter can be traced back to the pioneering discoveries of Fritz Zwicky and Jan Oort that the motion of galaxies in the Coma cluster, and of nearby stars in our own Galaxy, do not follow the expected motion based on Newton's law of gravity and the observed visible

  18. Theory and Modeling Capabilities | Argonne National Laboratory

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

    Theory and Modeling Capabilities Theory and multiscale computer simulations provide the interpretive and predictive framework to understand fundamental processes and to aid in the design of functional nanoscale systems. Our primary facility is a high-performance computing cluster accommodating parallel computer-intensive applications. Capabilities Carbon High-Performance Computing Cluster (3000 cores, 30 GPUs, ~30 TeraFLOPS) Development tools (GNU and Intel compilers and math libraries) Density

  19. Covariant Spectator Theory: Foundations and Applications A Mini-Review of the Covariant Spectator Theory

    SciTech Connect (OSTI)

    Alfred Stadler, Franz Gross

    2010-10-01

    We provide a short overview of the Covariant Spectator Theory and its applications. The basic ideas are introduced through the example of a {phi}{sup 4}-type theory. High-precision models of the two-nucleon interaction are presented and the results of their use in calculations of properties of the two- and three-nucleon systems are discussed. A short summary of applications of this framework to other few-body systems is also presented.

  20. Lectures on Dispersion Theory

    DOE R&D Accomplishments [OSTI]

    Salam, A.

    1956-04-01

    Lectures with mathematical analysis are given on Dispersion Theory and Causality and Dispersion Relations for Pion-nucleon Scattering. The appendix includes the S-matrix in terms of Heisenberg Operators. (F. S.)

  1. Nodal Diffusion & Transport Theory

    Energy Science and Technology Software Center (OSTI)

    1992-02-19

    DIF3D solves multigroup diffusion theory eigenvalue, adjoint, fixed source, and criticality (concentration, buckling, and dimension search) problems in 1, 2, and 3-space dimensions for orthogonal (rectangular or cylindrical), triangular, and hexagonal geometries. Anisotropic diffusion theory coefficients are permitted. Flux and power density maps by mesh cell and regionwise balance integrals are provided. Although primarily designed for fast reactor problems, upscattering and internal black boundary conditions are also treated.

  2. Theory Center | Jefferson Lab

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

    Theory Center The Center for Theoretical and Computational Physics pursues a broad program of research in support of the physics being studied at Jefferson Lab and related facilities around the world. The Theory Center provides opportunities for interested scientists and students to visit the lab and work closely with theoretical and experimental colleagues.The center also advises the lab on the scientific merit of its program and its plans for future development. The center provides scientific

  3. IBA for novice experimentalists. I. Introduction to IBA: mostly symmetries. II. Tests in even-even nuclei: mostly transitional systems. III. Supersymmetries: theory and experiment

    SciTech Connect (OSTI)

    Cizewski, J.A.

    1982-08-01

    The report contains the notes from a series of lectures on the Interacting Boson Approximation (IBA) model. The lectures were presented at Lawrence Livermore National Laboratory on July 28, 30 and August 1, 1982 by Jolie A. Cizewski from Yale University. The IBA was developed by F. Iachello and A. Arima starting about seven years ago to understand collective quadrupole excitations in medium and heavy mass nuclei away from closed shells. Since then the formalism has been extended to odd-mass nuclei and considerable work has gone into understanding the microscopic construction of the bosons in this model. The IBA has been applied to nuclei as light as Zn and Ge and as heavy as U and Pu; to nuclei near closed shells, such as Mo and Hg; to stable nuclei and nuclei far from stability. The present lectures were designed to give the experimentalist an introduction to the IBA and to give specific examples of how it could be applied to understand the structure of heavy even and odd mass nuclei. Much of the emphasis was on the symmetries (and supersymmetries) of the model and how the use of symmetries enabled the relatively straightforward understanding of empirical systems as deviations from these symmetries. The richness of possible applications of the IBA to understanding collective phenomena in nuclei was not fully explored, but rather a few illustrative examples were selected and described in detail. The references, accumulated at the end of this report, provide a more comprehensive, although not complete, list of tests of the IBA in even mass nuclei and the new symmetries in odd mass nuclei. The references also list the main theoretical papers which provide the details of the IBA formalism.

  4. Some Aspects of Reactor Theory

    DOE R&D Accomplishments [OSTI]

    Weinberg, Alvin M.

    1952-10-10

    Some general remarks are made on reactor theory, particularly the asymptotic theory and multigroup methods. Unsolved reactor problems are also briefly discussed. (B.J.H.)

  5. Structure and biochemical characterization of proliferating cellular nuclear antigen from a parasitic protozoon

    SciTech Connect (OSTI)

    Cardona-Felix, Cesar S.; Lara-Gonzalez, Samuel; Brieba, Luis G.

    2012-02-08

    Proliferating cellular nuclear antigen (PCNA) is a toroidal-shaped protein that is involved in cell-cycle control, DNA replication and DNA repair. Parasitic protozoa are early-diverged eukaryotes that are responsible for neglected diseases. In this work, a PCNA from a parasitic protozoon was identified, cloned and biochemically characterized and its crystal structure was determined. Structural and biochemical studies demonstrate that PCNA from Entamoeba histolytica assembles as a homotrimer that is able to interact with and stimulate the activity of a PCNA-interacting peptide-motif protein from E. histolytica, EhDNAligI. The data indicate a conservation of the biochemical mechanisms of PCNA-mediated interactions between metazoa, yeast and parasitic protozoa.

  6. Geometric perturbation theory and plasma physics

    SciTech Connect (OSTI)

    Omohundro, S.M.

    1985-04-04

    Modern differential geometric techniques are used to unify the physical asymptotics underlying mechanics, wave theory and statistical mechanics. The approach gives new insights into the structure of physical theories and is suited to the needs of modern large-scale computer simulation and symbol manipulation systems. A coordinate-free formulation of non-singular perturbation theory is given, from which a new Hamiltonian perturbation structure is derived and related to the unperturbed structure. The theory of perturbations in the presence of symmetry is developed, and the method of averaging is related to reduction by a circle group action. The pseudo-forces and magnetic Poisson bracket terms due to reduction are given a natural asymptotic interpretation. Similar terms due to changing reference frames are related to the method of variation of parameters, which is also given a Hamiltonian formulation. These methods are used to answer a question about nearly periodic systems. The answer leads to a new secular perturbation theory that contains no ad hoc elements. Eikonal wave theory is given a Hamiltonian formulation that generalizes Whitham's Lagrangian approach. The evolution of wave action density on ray phase space is given a Hamiltonian structure using a Lie-Poisson bracket. The relationship between dissipative and Hamiltonian systems is discussed. A new type of attractor is defined which attracts both forward and backward in time and is shown to occur in infinite-dimensional Hamiltonian systems with dissipative behavior. The theory of Smale horseshoes is applied to gyromotion in the neighborhood of a magnetic field reversal and the phenomenon of reinsertion in area-preserving horseshoes is introduced. The central limit theorem is proved by renormalization group techniques. A natural symplectic structure for thermodynamics is shown to arise asymptotically from the maximum entropy formalism.

  7. Evaluation and comparison of biochemical markers of anthropogenic stress in the sheepshead minnow

    SciTech Connect (OSTI)

    Stuck, K.; Furst, H.; Boyd, C.; Walker, W.; Watts, S.; Mayer, F.

    1995-12-31

    The utility of bioenergetic and growth-rate indices for assessing chemically induced stress in larval and juvenile sheepshead minnows (Cyprinodon variegatus) was investigated. Viable embryos were exposed to zinc chloride at concentrations of 0.6, 1.5 and 3.8 ppm over a period of 28 days. Samples were collected from each exposure group and a unexposed control group on days 7, 14 and 28 of the study. Individual fish were measured and weighed wet. Triacylglycerol (TAG) and sterol content of exposed and control fish was determined using a FID/TLC latroscan system, polyamines were quantified by HPLC, nucleic acids levels were determined using an ethidium bromide fluorescence technique, and % tissue solids were estimated by dry weight analysis. A significant reduction in the TAG:sterol ratio was observed among fish exposed to 3.8 ppm ZnCl for 28 days. TAG:sterol was significantly correlated with growth-rate, % tissue solids, and concentration of ZnCl. RNA:DNA and polyamine (putrescine: spermine) ratios were significantly higher among day 7 control and exposed fish than those obtained from fish collected on days 14 and 28. RNA:DNA ratios of fish exposed to 3.8 ppm ZnCl for 28 days were significantly lower than those of fish in the control group. Polyamine ratios from fish exposed to 3.8 ppm ZnCl were significantly lower than control fish after 14 days of exposure. There was a significant correlation between polyamine ratios and concentration of ZnCl. TAG:sterol, RNA:DNA, and polyamine ratios can be used to biochemically assess anthropogenic stress; however, due to ontogenetic changes, these indicators are applicable only after endogenous yolk reserves have been depleted.

  8. Salinas : theory manual.

    SciTech Connect (OSTI)

    Walsh, Timothy Francis; Reese, Garth M.; Bhardwaj, Manoj Kumar

    2004-08-01

    This manual describes the theory behind many of the constructs in Salinas. For a more detailed description of how to use Salinas , we refer the reader to Salinas, User's Notes. Many of the constructs in Salinas are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Salinas are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programer-notes manual, the user's notes and of course the material in the open literature.

  9. Vector field theories in cosmology

    SciTech Connect (OSTI)

    Tartaglia, A.; Radicella, N.

    2007-10-15

    Recently proposed theories based on the cosmic presence of a vectorial field are compared and contrasted. In particular the so-called Einstein aether theory is discussed in parallel with a recent proposal of a strained space-time theory (cosmic defect theory). We show that the latter fits reasonably well the cosmic observed data with only one, or at most two, adjustable parameters, while other vector theories use much more. The Newtonian limits are also compared. Finally we show that the cosmic defect theory may be considered as a special case of the aether theories, corresponding to a more compact and consistent paradigm.

  10. ET4169 Radar theory and systems

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

    ... Doppler spectra at every height Remove the noise Signal ... is mounted on top of the 213 m high meteorological tower. ... component * 20 W transmission power * 102.4 s - ...

  11. Benchmarking nuclear fission theory

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

    Bertsch, G. F.; Loveland, W.; Nazarewicz, W.; Talou, P.

    2015-05-14

    We suggest a small set of fission observables to be used as test cases for validation of theoretical calculations. Thus, the purpose is to provide common data to facilitate the comparison of different fission theories and models. The proposed observables are chosen from fission barriers, spontaneous fission lifetimes, fission yield characteristics, and fission isomer excitation energies.

  12. Variational transition state theory

    SciTech Connect (OSTI)

    Truhlar, D.G.

    1993-12-01

    This research program involves the development of variational transition state theory (VTST) and semiclassical tunneling methods for the calculation of gas-phase reaction rates and selected applications. The applications are selected for their fundamental interest and/or their relevance to combustion.

  13. Update on Charmonium Theory

    SciTech Connect (OSTI)

    Barnes, Ted {F E }

    2010-01-01

    In this invited presentation, I review some recent developments in the theory of charmonium that appear likely to be of importance for future experimental studies in this field. The specific areas considered are double charmonium production. LQCD studies of charmonium, recent results for hadron loops, cc{bar} production cross sections at PANDA, charm molecules, and two recent developments, "charmiscelleny".

  14. Theory of antiferromagnetic superconductors

    SciTech Connect (OSTI)

    Machida, K.; Nokura, K.; Matsubara, T.

    1980-09-01

    In this paper a theory is presented of antiferromagnetic superconductors in which a spin-density wave (SDW) ordering with a wave vector Q may coexist with superconductivity. The effect of the antiferromagnetic molecular field h/sub Q/(T) on the Cooper pairing is studied, and it is shown that, below the magnetic transition temperature T/sub N/' the Bardeen-Cooper-Schruffer coupling parameter is reduced by a factor of (1-constsuch thatub Q/(T)epsilon/sub F/) due to the formation of energy gaps of SDW on the Fermi surface along Q and this reduction can explain the anomaly in the upper critical field H/sub c/2 just below T/sub N/ as observed in RMo/sub 6/S/sub 8/ (R=Gd, Tb, and Dy). Taking account of both the spin-orbit scattering and spin-fluctuation effect near T/sub N/ in addition to the effect of h/sub Q/(T), a theoretical calculation of the superconducting transition temperature T/sub c/ and H/sub c/2(T) is performed. Detailed quantitative comparisons between theory and experiments on H/sub c/2(T) are made with fairly good accord for the above three compounds. Some speculation is given to discuss the remaining descrepancies between theory and experiments and certain phenomena not yet explained by the theory.

  15. National Bioenergy Center - Biochemical Platform Integration Project: Quarterly Update, Winter 2010

    SciTech Connect (OSTI)

    Schell, D.

    2011-02-01

    Winter 2011 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter. Issue topics: 33rd Symposium on Biotechnology for Fuels and Chemicals program topic areas; results from reactive membrane extraction of inhibitors from dilute-acid pretreated corn stover; list of 2010 task publications.

  16. Biomass Program 2007 Program Peer Review - Biochemical and Products Platform Summary

    SciTech Connect (OSTI)

    none,

    2009-10-27

    This document discloses the comments provided by a review panel at the U.S. Department of Energy Office of the Biomass Program Peer Review held on November 15-16, 2007 in Baltimore, MD and the Biochemical and Products Platform Review held on August 7-9, 2007 in Denver, Colorado.

  17. Mathematical treatment of isotopologue and isotopomer speciation and fractionation in biochemical kinetics

    SciTech Connect (OSTI)

    Maggi, F.M.; Riley, W.J.

    2009-11-01

    We present a mathematical treatment of the kinetic equations that describe isotopologue and isotopomer speciation and fractionation during enzyme-catalyzed biochemical reactions. These equations, presented here with the name GEBIK (general equations for biochemical isotope kinetics) and GEBIF (general equations for biochemical isotope fractionation), take into account microbial biomass and enzyme dynamics, reaction stoichiometry, isotope substitution number, and isotope location within each isotopologue and isotopomer. In addition to solving the complete GEBIK and GEBIF, we also present and discuss two approximations to the full solutions under the assumption of biomass-free and enzyme steady-state, and under the quasi-steady-state assumption as applied to the complexation rate. The complete and approximate approaches are applied to observations of biological denitrification in soils. Our analysis highlights that the full GEBIK and GEBIF provide a more accurate description of concentrations and isotopic compositions of substrates and products throughout the reaction than do the approximate forms. We demonstrate that the isotopic effects of a biochemical reaction depend, in the most general case, on substrate and complex concentrations and, therefore, the fractionation factor is a function of time. We also demonstrate that inverse isotopic effects can occur for values of the fractionation factor smaller than 1, and that reactions that do not discriminate isotopes do not necessarily imply a fractionation factor equal to 1.

  18. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #28, Spring 2011

    SciTech Connect (OSTI)

    Schell, D. J.

    2011-04-01

    Spring 2011 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter. Issue topics: 33rd Symposium on Biotechnology for Fuels and Chemicals program sessions and special topic sessions; assessment of waste water treatment needs; and an update on new arabinose-to-ethanol fermenting Zymomonas mobilis strains.

  19. National Bioenergy Center, Biochemical Platform Integration Project: Quarterly Update, Summer 2011 (Newsletter)

    SciTech Connect (OSTI)

    Not Available

    2011-09-01

    Summer 2011 issue of the National Bioenergy Center Biochemical Platform Integration Project quarterly update. Issue topics: evaluating new analytical techniques for measuring soluble sugars in the liquid portion of biomass hydrolysates, and measurement of the fraction of insoluble solids in biomass slurries.

  20. Biochemical Production of Ethanol from Corn Stover: 2007 State of Technology Model

    SciTech Connect (OSTI)

    Aden, Andy

    2008-05-01

    Since 2001, NREL has kept track of technical research progress in the biochemical process through what are known as “State of Technology” (SOT) assessments. The purpose of this report is to update the FY 2005 SOT model with the latest research results from the past two years.

  1. National Bioenergy Center Biochemical Platform Integration Project: Quarterly Update #27, April - June 2010

    SciTech Connect (OSTI)

    Schell, D.

    2010-07-01

    April-June, 2010 edition of the National Bioenergy Center's Biochemical Platform Integration Project quarterly newsletter. Issue topics: understanding performance of alternative process configurations for producing ethanol from biomass; investigating Karl Fischer Titration for measuring water content of pretreated biomass slurries.

  2. Prequantum Classical Statistical Field Theory: Fundamentals

    SciTech Connect (OSTI)

    Khrennikov, Andrei

    2011-03-28

    We present fundamentals of a prequantum model with hidden variables of the classical field type. In some sense this is the comeback of classical wave mechanics. Our approach also can be considered as incorporation of quantum mechanics into classical signal theory. All quantum averages (including correlations of entangled systems) can be represented as classical signal averages and correlations.

  3. MBI Biorefinery: Corn to Biomass, Ethanol to Biochemicals and Biomaterials

    SciTech Connect (OSTI)

    2006-02-17

    The project is a continuation of DOE-funded work (FY02 and FY03) that has focused on the development of the ammonia fiber explosion (AFEX) pretreatment technology, fermentation production of succinic acid and new processes and products to enhance dry mill profitability. The primary objective for work beginning in April 2004 and ending in November 2005 is focus on the key issues related to the: (1) design, costing and construction plan for a pilot AFEX pretreatment system, formation of a stakeholder development team to assist in the planning and design of a biorefinery pilot plant, continued evaluation of corn fractionation technologies, corn oil extraction, AFEX treatment of corn fiber/DDGs; (2) development of a process to fractionate AFEX-treated corn fiber and corn stover--cellulose and hemicellulose fractionation and sugar recovery; and (3) development of a scalable batch succinic acid production process at 500 L at or below $.42/lb, a laboratory scale fed-batch process for succinic acid production at or below $.40/lb, a recovery process for succinic acid that reduces the cost of succinic acid by $.02/lb and the development of an acid tolerant succinic acid production strain at lab scale (last objective not to be completed during this project time period).

  4. Rudolph A. Marcus and His Theory of Electron Transfer Reactions

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

    Rudolph A. Marcus and His Theory of Electron Transfer Reactions Resources with Additional Information * Interviews * Marcus Theory Rudolph A. Marcus Courtesy of Brookhaven National Laboratory Rudolph A. Marcus was awarded the 1992 Nobel Prize in Chemistry "for his contributions to the theory of electron transfer reactions in chemical systems". 'According to Chemistry Chairman Norman Sutin, some of the early definitive tests of Marcus's theoretical work were done ... at [Brookhaven

  5. Leon Cooper, Cooper Pairs, and the BCS Theory

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

    Leon Cooper, Cooper Pairs, and the BCS Theory Resources with Additional Information Leon Cooper Courtesy of Brown University "In 1972 [Leon Cooper] received the Nobel Prize in Physics with J. Bardeen and J. R. Schrieffer, for his studies on the theory of superconductivity which was completed while still in his 20s. His concept of Cooper pairs forms the basis of the BCS theory. ... Professor Cooper is cofounder ... of Nestor, Inc., an industry leader in applying neural-network systems to

  6. Superspace version of BF theories

    SciTech Connect (OSTI)

    Aidaoui, A.; Tahiri, M.

    2012-06-27

    The BF theory is presented in a superspace formalism. This permits us to see that the necessary fields of the quantized theory enlarged with auxiliary fields naturally occur and lead to a BRST-VSUY exact quantum action.

  7. Transition state theory for laser-driven reactions

    SciTech Connect (OSTI)

    Kawai, Shinnosuke; Bandrauk, Andre D.; Jaffe, Charles; Bartsch, Thomas; Palacian, Jesus; Uzer, T.

    2007-04-28

    Recent developments in transition state theory brought about by dynamical systems theory are extended to time-dependent systems such as laser-driven reactions. Using time-dependent normal form theory, the authors construct a reaction coordinate with regular dynamics inside the transition region. The conservation of the associated action enables one to extract time-dependent invariant manifolds that act as separatrices between reactive and nonreactive trajectories and thus make it possible to predict the ultimate fate of a trajectory. They illustrate the power of our approach on a driven Henon-Heiles system, which serves as a simple example of a reactive system with several open channels. The present generalization of transition state theory to driven systems will allow one to study processes such as the control of chemical reactions through laser pulses.

  8. SECTION III. NUCLEAR THEORY

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

    III. NUCLEAR THEORY Microscopic Description of Excitation of Isoscalar Giant Dipole Resonance in 28Si and 208Pb A. Kolomiets, O. Pochivalov and S. Shlomo Microscopic Description of Excitation of Isoscalar Giant Quadrupole Resonances in 28Si, 40Ca, 58Ni, and 116Sn by Inelastic Scattering of 240 MeV α-particles A. Kolomiets, O. Pochivalov and S. Shlomo Microscopic Description of Excitation of Isoscalar Giant Monopole Resonance in 58Ni by Inelastic Scattering of 240 MeV α-particles A. Kolomiets,

  9. Biochemical changes in blood components after lethal doses of radiation. Final report Oct 80-Sep 81

    SciTech Connect (OSTI)

    Magro, A.M.

    1982-10-01

    Nonpeptide, peptide, and protein blood components were measured postirradiation in Wistar rats to investigate biochemical changes that might be related to or form the basis of radiation-induced emesis. The rats were irradiated with lethal doses of radiation, and blood components were analyzed at various times postirradiation. The blood-component levels were compared to those of nonirradiated controls to determine if any significant changes occurred due to the radiation.

  10. Geometric Gyrokinetic Theory for Edge Plasma

    SciTech Connect (OSTI)

    Qin, H; Cohen, R H; Nevins, W M; Xu, X Q

    2007-01-18

    It turns out that gyrokinetic theory can be geometrically formulated as special cases of a geometrically generalized Vlasov-Maxwell system. It is proposed that the phase space of the spacetime is a 7-dimensional fiber bundle P over the 4-dimensional spacetime M, and that a Poincare-Cartan-Einstein 1-form {gamma} on the 7-dimensional phase space determines particles worldlines in the phase space. Through Liouville 6-form {Omega} and fiber integral, the 1-form {gamma} also uniquely defines a geometrically generalized Vlasov-Maxwell system as a field theory for the collective electromagnetic field. The geometric gyrokinetic theory is then developed as a special case of the geometrically generalized Vlasov-Maxwell system. In its most general form, gyrokinetic theory is about a symmetry, called gyro-symmetry, for magnetized plasmas, and the 1-form {gamma} again uniquely defines the gyro-symmetry. The objective is to decouple the gyro-phase dynamics from the rest of particle dynamics by finding the gyro-symmetry in {gamma}. Compared with other methods of deriving the gyrokinetic equations, the advantage of the geometric approach is that it allows any approximation based on mathematical simplification or physical intuition to be made at the 1-form level, and yet the field theories still have the desirable exact conservation properties such as phase space volume conservation and energy-momentum conservation if the 1-form does not depend on the spacetime coordinate explicitly. A set of generalized gyrokinetic equations valid for the edge plasmas is then derived using this geometric method. This formalism allows large-amplitude, time-dependent background electromagnetic fields to be developed fully nonlinearly in addition to small-amplitude, short-wavelength electromagnetic perturbations. The fact that we adopted the geometric method in the present study does not necessarily imply that the major results reported here can not be achieved using classical methods. What the

  11. Radiation damping in Einstein-aether theory

    SciTech Connect (OSTI)

    Foster, Brendan Z.

    2006-05-15

    This work concerns the loss of energy of a material system due to gravitational radiation in Einstein-aether theory - an alternative theory of gravity in which the metric couples to a dynamical, timelike, unit-norm vector field. Derived to lowest post-Newtonian order are wave forms for the metric and vector fields far from a nearly Newtonian system and the rate of energy radiated by the system. The expressions depend on the quadrupole moment of the source, as in standard general relativity, but also contain monopolar and dipolar terms. There exists a one-parameter family of Einstein-aether theories for which only the quadrupolar contribution is present, and for which the expression for the damping rate is identical to that of general relativity to the order worked to here. This family cannot yet be declared observationally viable, since effects due to the strong internal fields of bodies in the actual systems used to test the damping rate have not yet been determined.

  12. DUSEL Theory White Paper

    SciTech Connect (OSTI)

    Raby, S.; Walker, T.; Babu, K.S.; Baer, H.; Balantekin, A.B.; Barger, V.; Berezhiani, Z.; de Gouvea, A.; Dermisek, R.; Dolgov, A.; Fileviez Perez, P.; Gabadadze, G.; Gal, A.; Gondolo, P.; Haxton, W.; Kamyshkov, Y.; Kayser, B.; Kearns, E.; Kopeliovich, B.; Lande, K.; Marfatia, D.; /Kansas U. /Maryland U. /Northeastern U. /UC, Berkeley /LBL, Berkeley /Minnesota U. /SLAC /UC, Santa Cruz /SUNY, Stony Brook /Oklahoma State U. /Iowa State U. /Carnegie Mellon U.

    2011-11-14

    The scientific case for a Deep Underground Science and Engineering Laboratory [DUSEL] located at the Homestake mine in Lead, South Dakota is exceptional. The site of this future laboratory already claims a discovery for the detection of solar neutrinos, leading to a Nobel Prize for Ray Davis. Moreover this work provided the first step to our present understanding of solar neutrino oscillations and a chink in the armor of the Standard Model of particle physics. We now know, from several experiments located in deep underground experimental laboratories around the world, that neutrinos have mass and even more importantly this mass appears to fit into the framework of theories which unify all the known forces of nature, i.e. the strong, weak, electromagnetic and gravitational. Similarly, DUSEL can forge forward in the discovery of new realms of nature, housing six fundamental experiments that will test the frontiers of our knowledge: (1) Searching for nucleon decay (the decay of protons and neutrons predicted by grand unified theories of nature); (2) Searching for neutrino oscillations and CP violation by detecting neutrinos produced at a neutrino source (possibly located at Brookhaven National Laboratory and/or Fermi National Laboratory); (3) Searching for astrophysical neutrinos originating from the sun, from cosmic rays hitting the upper atmosphere or from other astrophysical sources, such a supernovae; (4) Searching for dark matter particles (the type of matter which does not interact electromagnetically, yet provides 24% of the mass of the Universe); (5) Looking for the rare process known as neutrino-less double beta decay which is predicted by most theories of neutrino mass and allows two neutrons in a nucleus to spontaneously change into two protons and two electrons; and (6) Searching for the rare process of neutron- anti-neutron oscillations, which would establish violation of baryon number symmetry. A large megaton water Cherenkov detector for neutrinos and

  13. A Model Incorporating Some of the Mechanical and Biochemical Factors Underlying Clot Formation and Dissolution in Flowing Blood

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

    Anand, M.; Rajagopal, K.; Rajagopal, K. R.

    2003-01-01

    Multiple interacting mechanisms control the formation and dissolution of clots to maintain blood in a state of delicate balance. In addition to a myriad of biochemical reactions, rheological factors also play a crucial role in modulating the response of blood to external stimuli. To date, a comprehensive model for clot formation and dissolution, that takes into account the biochemical, medical and rheological factors, has not been put into place, the existing models emphasizing either one or the other of the factors. In this paper, after discussing the various biochemical, physiologic and rheological factors at some length, we develop a modelmore » for clot formation and dissolution that incorporates many of the relevant crucial factors that have a bearing on the problem. The model, though just a first step towards understanding a complex phenomenon, goes further than previous models in integrating the biochemical, physiologic and rheological factors that come into play.« less

  14. Sheldon Glashow, the Electroweak Theory, and the Grand Unified Theory

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

    Sheldon Glashow and the Electroweak Theory Resources with Additional Information Sheldon Glashow Courtesy AIP Emilio Segrè Visual Archives, Segrè Collection [Sheldon] 'Glashow shared the 1979 Nobel Prize for physics with Steven Weinberg and Abdus Salam for unifying the theories of weak and electromagnetic forces. The new "electroweak" theory underlies all of particle physics and provides a framework for understanding how the early universe evolved and how the chemical elements were

  15. Gauge Theories of Vector Particles

    DOE R&D Accomplishments [OSTI]

    Glashow, S. L.; Gell-Mann, M.

    1961-04-24

    The possibility of generalizing the Yang-Mills trick is examined. Thus we seek theories of vector bosons invariant under continuous groups of coordinate-dependent linear transformations. All such theories may be expressed as superpositions of certain "simple" theories; we show that each "simple theory is associated with a simple Lie algebra. We may introduce mass terms for the vector bosons at the price of destroying the gauge-invariance for coordinate-dependent gauge functions. The theories corresponding to three particular simple Lie algebras - those which admit precisely two commuting quantum numbers - are examined in some detail as examples. One of them might play a role in the physics of the strong interactions if there is an underlying super-symmetry, transcending charge independence, that is badly broken. The intermediate vector boson theory of weak interactions is discussed also. The so-called "schizon" model cannot be made to conform to the requirements of partial gauge-invariance.

  16. Deconfinement in Yang-Mills Theory through Toroidal Compactification

    SciTech Connect (OSTI)

    Simic, Dusan; Unsal, Mithat; /Stanford U., Phys. Dept. /SLAC

    2011-08-12

    We introduce field theory techniques through which the deconfinement transition of four-dimensional Yang-Mills theory can be moved to a semi-classical domain where it becomes calculable using two-dimensional field theory. We achieve this through a double-trace deformation of toroidally compactified Yang-Mills theory on R{sup 2} x S{sub L}{sup 1} x S{sub {beta}}{sup 1}. At large N, fixed-L, and arbitrary {beta}, the thermodynamics of the deformed theory is equivalent to that of ordinary Yang-Mills theory at leading order in the large N expansion. At fixed-N, small L and a range of {beta}, the deformed theory maps to a two-dimensional theory with electric and magnetic (order and disorder) perturbations, analogs of which appear in planar spin-systems and statistical physics. We show that in this regime the deconfinement transition is driven by the competition between electric and magnetic perturbations in this two-dimensional theory. This appears to support the scenario proposed by Liao and Shuryak regarding the magnetic component of the quark-gluon plasma at RHIC.

  17. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory Print Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and...

  18. Beyond the Standard Model Theory

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

    Beyond the Standard Model Theory Beyond the Standard Model Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email ...

  19. Particle Theory & Cosmology

    SciTech Connect (OSTI)

    Shafi, Qaisar; Barr, Steven; Gaisser, Thomas; Stanev, Todor

    2015-03-31

    1. Executive Summary (April 1, 2012 - March 31, 2015) Title: Particle Theory, Particle Astrophysics and Cosmology Qaisar Shafi University of Delaware (Principal Investigator) Stephen M. Barr, University of Delaware (Co-Principal Investigator) Thomas K. Gaisser, University of Delaware (Co-Principal Investigator) Todor Stanev, University of Delaware (Co-Principal Investigator) The proposed research was carried out at the Bartol Research included Professors Qaisar Shafi Stephen Barr, Thomas K. Gaisser, and Todor Stanev, two postdoctoral fellows (Ilia Gogoladze and Liucheng Wang), and several graduate students. Five students of Qaisar Shafi completed their PhD during the period August 2011 - August 2014. Measures of the group’s high caliber performance during the 2012-2015 funding cycle included pub- lications in excellent refereed journals, contributions to working groups as well as white papers, and conference activities, which together provide an exceptional record of both individual performance as well as overall strength. Another important indicator of success is the outstanding quality of the past and current cohort of graduate students. The PhD students under our supervision regularly win the top departmental and university awards, and their publications records show excellence both in terms of quality and quantity. The topics covered under this grant cover the frontline research areas in today’s High Energy Theory & Phenomenology. For Professors Shafi and Barr they include LHC related topics including supersymmetry, collider physics, fl vor physics, dark matter physics, Higgs boson and seesaw physics, grand unifi and neutrino physics. The LHC two years ago discovered the Standard Model Higgs boson, thereby at least partially unlocking the secrets behind electroweak symmetry breaking. We remain optimistic that new and exciting physics will be found at LHC 14, which explain our focus on physics beyond the Standard Model. Professors Shafi continued his

  20. Aspirin and Statin Nonuse Associated With Early Biochemical Failure After Prostate Radiation Therapy

    SciTech Connect (OSTI)

    Zaorsky, Nicholas G.; Buyyounouski, Mark K.; Li, Tianyu; Horwitz, Eric M.

    2012-09-01

    Purpose: To present the largest retrospective series investigating the effect of aspirin and statins, which are hypothesized to have antineoplastic properties, on biochemical failure (nadir plus 2 ng/mL) after prostate radiation therapy (RT). Methods and Materials: Between 1989 and 2006, 2051 men with clinically localized prostate cancer received definitive RT alone (median dose, 76 Gy). The rates of aspirin use and statin use (defined as any use at the time of RT or during follow-up) were 36% and 34%, respectively. The primary endpoint of the study was an interval to biochemical failure (IBF) of less than 18 months, which has been shown to be the single strongest predictor of distant metastasis, prostate cancer survival, and overall survival after RT. Patient demographic characteristics and tumor staging factors were assessed with regard to associations with the endpoint. Univariate analysis was performed with the {chi}{sup 2} test for categorical variables and the Wilcoxon test for continuous variables. Multivariable analysis was performed with a multiple logistic regression. Results: The median follow-up was 75 months. Univariate analysis showed that an IBF of less than 18 months was associated with aspirin nonuse (P<.0001), statin nonuse (P<.0001), anticoagulant nonuse (P=.0006), cardiovascular disease (P=.0008), and prostate-specific antigen (continuous) (P=.008) but not with Gleason score, age, RT dose, or T stage. On multivariate analysis, only aspirin nonuse (P=.0012; odds ratio, 2.052 [95% confidence interval, 1.328-3.172]) and statin nonuse (P=.0002; odds ratio, 2.465 [95% confidence interval, 1.529-3.974]) were associated with an IBF of less than 18 months. Conclusions: In patients who received RT for prostate cancer, aspirin or statin nonuse was associated with early biochemical failure, a harbinger of distant metastasis and death. Further study is needed to confirm these findings and to determine the optimal dosing and schedule, as well as the relative

  1. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

    SciTech Connect (OSTI)

    Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.

    2014-10-01

    We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, a finding in stark contrast to DAC data.

  2. Techno-Economic Analysis of Bioconversion of Methane into Biofuel and Biochemical (Poster)

    SciTech Connect (OSTI)

    Fei, Q.; Tao, L.; Pienkos, P .T.; Guarnieri, M.; Palou-Rivera, I.

    2014-10-01

    In light of the relatively low price of natural gas and increasing demands of liquid transportation fuels and high-value chemicals, attention has begun to turn to novel biocatalyst for conversion of methane (CH4) into biofuels and biochemicals [1]. A techno-economic analysis (TEA) was performed for an integrated biorefinery process using biological conversion of methane, such as carbon yield, process efficiency, productivity (both lipid and acid), natural gas and other raw material prices, etc. This analysis is aimed to identify research challenges as well provide guidance for technology development.

  3. Neoclassical Theory and Its Applications

    SciTech Connect (OSTI)

    Shaing, Ker-Chung

    2015-11-20

    The grant entitled Neoclassical Theory and Its Applications started on January 15 2001 and ended on April 14 2015. The main goal of the project is to develop neoclassical theory to understand tokamak physics, and employ it to model current experimental observations and future thermonuclear fusion reactors. The PI had published more than 50 papers in refereed journals during the funding period.

  4. On the Condensed Matter Analog of Baryon Chiral Perturbation Theory

    SciTech Connect (OSTI)

    Bruegger, C.; Moser, M.; Wiese, U.-J.; Hofmann, C. P.; Kaempfer, F.; Pepe, M.

    2009-04-20

    It is shown that baryon chiral perturbation theory, i.e., the low-energy effective theory for pions and nucleons in quantum chromodynamics, has its condensed matter analog: A low-energy effective theory describing magnons as well as holes (or electrons) doped into antiferromagnets. We briefly present a symmetry analysis of the Hubbard and t-J-type models, and review the construction of the leading terms in the effective Lagrangian. As a nontrivial application we study different phases of hole- and electron-doped antiferromagnets--in particular, we investigate whether a so-called spiral phase with an inhomogeneous staggered magnetization (order parameter) may be stable. We would like to emphasize that the effective theory is universal and makes model-independent predictions for a large class of systems, whereas the material-specific properties enter the effective theory only through the numerical values of a few low-energy parameters.

  5. Geometric scalar theory of gravity

    SciTech Connect (OSTI)

    Novello, M.; Bittencourt, E.; Goulart, E.; Salim, J.M.; Toniato, J.D.; Moschella, U. E-mail: eduhsb@cbpf.br E-mail: egoulart@cbpf.br E-mail: toniato@cbpf.br

    2013-06-01

    We present a geometric scalar theory of gravity. Our proposal will be described using the ''background field method'' introduced by Gupta, Feynman, Deser and others as a field theory formulation of general relativity. We analyze previous criticisms against scalar gravity and show how the present proposal avoids these difficulties. This concerns not only the theoretical complaints but also those related to observations. In particular, we show that the widespread belief of the conjecture that the source of scalar gravity must be the trace of the energy-momentum tensor which is one of the main difficulties to couple gravity with electromagnetic phenomenon in previous models does not apply to our geometric scalar theory. From the very beginning this is not a special relativistic scalar gravity. The adjective ''geometric'' pinpoints its similarity with general relativity: this is a metric theory of gravity. Some consequences of this new scalar theory are explored.

  6. Theory of Positron Annihilation in Helium-Filled Bubbles in Plutonium...

    Office of Scientific and Technical Information (OSTI)

    Theory of Positron Annihilation in Helium-Filled Bubbles in Plutonium Citation Details ... This method is capable of treating system cell sizes of several thousand atoms, allowing ...

  7. Implausibility of the vibrational theory of olfaction

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

    Block, Eric; Ertem, Mehmed Z.; Jang, Seogjoo; Matsunami, Hiroaki; Sekharan, Sivakumar; Dethier, Berenice; Gundala, Sivaji; Pan, Yi; Li, Shengju; Li, Zhen; et al

    2015-04-21

    The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of thesemore » compounds in vitro. Furthermore, the mouse (methylthio)methanethiol (MTMT)-recognizing receptor, MOR244-3, and other selected human and mouse ORs, responded similarly to normal, deuterated, and ¹³C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d₃₀ lacks the 1,380-1,550 cm⁻¹ IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of non-odorant molecular vibrational modes. As a result, these and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.« less

  8. Implausibility of the vibrational theory of olfaction

    SciTech Connect (OSTI)

    Block, Eric; Ertem, Mehmed Z.; Jang, Seogjoo; Matsunami, Hiroaki; Sekharan, Sivakumar; Dethier, Berenice; Gundala, Sivaji; Pan, Yi; Li, Shengju; Li, Zhen; Lodge, Stephene N.; Ozbil, Mehmet; Jiang, Huihong; Penalba, Sonia Flores; Batista, Victor S.; Zhuang, Hanyi

    2015-04-21

    The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of these compounds in vitro. Furthermore, the mouse (methylthio)methanethiol (MTMT)-recognizing receptor, MOR244-3, and other selected human and mouse ORs, responded similarly to normal, deuterated, and ¹³C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d₃₀ lacks the 1,380-1,550 cm⁻¹ IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of non-odorant molecular vibrational modes. As a result, these and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.

  9. Quantum Field Theory & Gravity

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

    Quantum Field Theory & Gravity Quantum Field Theory & Gravity Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email Bruce Carlsten (505) 667-5657 Email Quantum Field Theory and Gravity at Los Alamos The HEP effort at Los Alamos in this area is actively pursing a number of questions in this area. What is the final state of complete gravitational collapse? What happens at the event horizon? What is dark energy? How did the

  10. Theory, modeling and simulation: Annual report 1993

    SciTech Connect (OSTI)

    Dunning, T.H. Jr.; Garrett, B.C.

    1994-07-01

    Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE`s research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies.

  11. Nonequilibrium fixed points in longitudinally expanding scalar theories: Infrared cascade, Bose condensation and a challenge for kinetic theory

    SciTech Connect (OSTI)

    Berges, J.; Schlichting, S.; Boguslavski, K.; Venugopalan, R.

    2015-11-05

    In [Phys. Rev. Lett. 114, 061601 (2015)], we reported on a new universality class for longitudinally expanding systems, encompassing strongly correlated non-Abelian plasmas and N-component self-interacting scalar field theories. Using classical-statistical methods, we showed that these systems share the same self-similar scaling properties for a wide range of momenta in a limit where particles are weakly coupled but their occupancy is high. Here we significantly expand on our previous work and delineate two further self-similar regimes. One of these occurs in the deep infrared (IR) regime of very high occupancies, where the nonequilibrium dynamics leads to the formation of a Bose-Einstein condensate. The universal IR scaling exponents and the spectral index characterizing the isotropic IR distributions are described by an effective theory derived from a systematic large-N expansion at next-to-leading order. Remarkably, this effective theory can be cast as a vertex-resummed kinetic theory. The other novel self-similar regime occurs close to the hard physical scale of the theory, and sets in only at later times. In this study, we argue that the important role of the infrared dynamics ensures that key features of our results for scalar and gauge theories cannot be reproduced consistently in conventional kinetic theory frameworks.

  12. Nonequilibrium fixed points in longitudinally expanding scalar theories: Infrared cascade, Bose condensation and a challenge for kinetic theory

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

    Berges, J.; Schlichting, S.; Boguslavski, K.; Venugopalan, R.

    2015-11-05

    In [Phys. Rev. Lett. 114, 061601 (2015)], we reported on a new universality class for longitudinally expanding systems, encompassing strongly correlated non-Abelian plasmas and N-component self-interacting scalar field theories. Using classical-statistical methods, we showed that these systems share the same self-similar scaling properties for a wide range of momenta in a limit where particles are weakly coupled but their occupancy is high. Here we significantly expand on our previous work and delineate two further self-similar regimes. One of these occurs in the deep infrared (IR) regime of very high occupancies, where the nonequilibrium dynamics leads to the formation of amore » Bose-Einstein condensate. The universal IR scaling exponents and the spectral index characterizing the isotropic IR distributions are described by an effective theory derived from a systematic large-N expansion at next-to-leading order. Remarkably, this effective theory can be cast as a vertex-resummed kinetic theory. The other novel self-similar regime occurs close to the hard physical scale of the theory, and sets in only at later times. In this study, we argue that the important role of the infrared dynamics ensures that key features of our results for scalar and gauge theories cannot be reproduced consistently in conventional kinetic theory frameworks.« less

  13. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory ALS Evidence Confirms Combustion Theory Print Wednesday, 22 October 2014 11:43 Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and other carbon-based compounds. It's a discovery that could help combustion chemists make more efficient, less polluting fuels and help materials scientists fine-tune their carbon nanotubes and graphene sheets for faster, smaller electronics. In

  14. Fermilab | Science | Particle Physics | Theory

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

    Theory Chalkboard / blackboard with Questions for the Universe Theoretical physicists work to explain the way nature works at the smallest and largest levels, from the elementary particles that make up everything around us to the forces that influence the structure of entire galaxies. Physicists have discovered much about the way the universe works. Theorists' interpretation and synthesis of experimental results, research into quantum field theory, recognition of symmetries in nature, and

  15. Impact of chronic lead poisoning on the hematological and biochemical profiles of a fish, Barbus conchonius (Ham)

    SciTech Connect (OSTI)

    Tewari, H.; Gill, S.T.; Pant, J.

    1987-05-01

    The contamination of natural waters by lead is mostly caused by a variety of anthropogenic activities related to increased mining operations and industrial uses of this metal. Adverse effects of lead poisoning in the fishes have been reported with references to both hematological and biochemical variables. The aim of present investigation was to study the effects of chronically administered sublethal levels of inorganic lead on the hematological and biochemical profiles of widely distributed freshwater fish, Barbus conchonius. The variables such as erythrocyte numbers, hemoglobin, hematocrit, mean corpuscular volume, blood glucose, glycogen in liver, skeletal muscles, and myocardium, and cholesterol in blood, liver, ovary, and testes were evaluated.

  16. Proton mediated control of biochemical reactions with bioelectronic pH modulation

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

    Deng, Yingxin; Miyake, Takeo; Keene, Scott; Josberger, Erik E.; Rolandi, Marco

    2016-04-07

    In Nature, protons (H+) can mediate metabolic process through enzymatic reactions. Examples include glucose oxidation with glucose dehydrogenase to regulate blood glucose level, alcohol dissolution into carboxylic acid through alcohol dehydrogenase, and voltage-regulated H+ channels activating bioluminescence in firefly and jellyfish. Artificial devices that control H+ currents and H+ concentration (pH) are able to actively influence biochemical processes. Here, we demonstrate a biotransducer that monitors and actively regulates pH-responsive enzymatic reactions by monitoring and controlling the flow of H+ between PdHx contacts and solution. The present transducer records bistable pH modulation from an “enzymatic flip-flop” circuit that comprises glucose dehydrogenasemore » and alcohol dehydrogenase. Furthermore, the transducer also controls bioluminescence from firefly luciferase by affecting solution pH.« less

  17. Physico-chemical and Bio-chemical Controls on Soil C Saturation Behavior

    SciTech Connect (OSTI)

    Six, Johan; Plante, Alain

    2011-06-02

    In this project, we tested through a multitude of lab and field experiments the concept of soil C stabilization and determined metrics for the level of C saturation across soils and soil organic matter fractions. The basic premise of the soil C saturation concept is that there is a maximum amount of C that can be stabilized within a soil, even when C input is further increased. In a first analysis, our results showed that linear regression models do not adequately predict maximal organic C stabilization by fine soil particles. Soil physical and chemical properties associated with soil clay mineralogy, such as specific surface area and organic C loading, should be incorporated into models for predicting maximal organic C stabilization. In a second analysis, we found significantly greater maximal C stabilization in the microaggregate-protected versus the non-microaggregate protected mineral fractions, which provides independent validation that microaggregation plays an important role in increasing the protection and stabilization of soil C leading to greater total soil C accumulation in these pools. In a third study, our results question the role of biochemical preference in mineral C stabilization and of the chemical recalcitrance of specific plant-derived compounds in non-protected soil C accumulation. Because C biochemical composition of slowly turning over mineral protected C pools does not change with C saturation, input C composition is unlikely to affect long-term C stabilization. Rather, C saturation and stabilization in soil is controlled only by the quantity of C input to the soil and the physical and chemical protection mechanisms at play in long-term C stabilization. In conclusion, we have further corroborated the concept of soil C saturation and elucidated several mechanisms underlying this soil C saturation.

  18. Biochemical process of low level radioactive liquid simulation waste containing detergent

    SciTech Connect (OSTI)

    Kundari, Noor Anis Putra, Sugili; Mukaromah, Umi

    2015-12-29

    Research of biochemical process of low level radioactive liquid waste containing detergent has been done. Thse organic liquid wastes are generated in nuclear facilities such as from laundry. The wastes that are cotegorized as hazard and poison materials are also radioactive. It must be treated properly by detoxification of the hazard and decontamination of the radionuclides to ensure that the disposal of the waste meets the requirement of standard quality of water. This research was intended to determine decontamination factor and separation efficiensies, its kinetics law, and to produce a supernatant that ensured the environmental quality standard. The radioactive element in the waste was thorium with activity of 5.10{sup −5} Ci/m{sup 3}. The radioactive liquid waste which were generated in simulation plant contains detergents that was further processed by aerobic biochemical process using SGB 103 bacteria in a batch reactor equipped with aerators. Two different concentration of samples were processed and analyzed for 212 hours and 183 hours respectively at a room temperature. The product of this process is a liquid phase called as supernatant and solid phase material called sludge. The chemical oxygen demand (COD), biological oxygen demand (BOD), suspended solid (SS), and its alpha activity were analyzed. The results show that the decontamination factor and the separation efficiency of the lower concentration samples are higher compared to the samples with high concentration. Regarding the decontamination factor, the result for 212 hours processing of waste with detergent concentration of 1.496 g/L was 3.496 times, whereas at the detergent concentration of 0.748 g/L was 15.305 times for 183 hours processing. In case of the separation efficiency, the results for both samples were 71.396% and 93.465% respectively. The Bacterial growth kinetics equation follow Monod’s model and the decreasing of COD and BOD were first order with the rate constant of 0

  19. Resilience: Theory and Application.

    SciTech Connect (OSTI)

    Carlson, J.L.; Haffenden, R.A.; Bassett, G.W.; Buehring, W.A.; Collins, M.J., III; Folga, S.M.; Petit, F.D.; Phillips, J.A.; Verner, D.R.; Whitfield, R.G.

    2012-02-03

    right and because of its implications for community/regional resilience, it is especially important to develop a sound methodology for assessing resilience at the asset/facility level. This objective will be accomplished by collecting data on four broadly defined groups of resilience-enhancing measures: preparedness, mitigation measures, response capabilities, and recovery mechanisms. Table ES-1 illustrates how the six components that define resilience are connected to the actions that enhance the capacity of an entity to be resilient. The relationships illustrated in Table ES-1 provide the framework for developing a survey instrument that will be used to elicit the information required to assess resilience at the asset/facility level. The resilience of a community/region is a function of the resilience of its subsystems, including its critical infrastructures, economy, civil society, governance (including emergency services), and supply chains/dependencies. The number and complexity of these subsystems will make the measurement of resilience more challenging as we move from individual assets/facilities to the community/regional level (where critical infrastructure resilience is only one component). Specific challenges include uncertainty about relationships (e.g., the composition of specific supply chains), data gaps, and time and budget constraints that prevent collection of all of the information needed to construct a comprehensive assessment of the resilience of a specific community or region. These challenges can be addressed, at least partially, by adopting a 'systems approach' to the assessment of resilience. In a systems approach, the extent to which the analysis addresses the resilience of the individual subsystems can vary. Specifically, high-level systems analysis can be used to identify the most important lower-level systems. In turn, within the most important lower-level systems, site assessment data should be collected only on the most critical asset

  20. Theory of unidirectional spin heat conveyer

    SciTech Connect (OSTI)

    Adachi, Hiroto Maekawa, Sadamichi

    2015-05-07

    We theoretically investigate the unidirectional spin heat conveyer effect recently reported in the literature that emerges from the Damon-Eshbach spin wave on the surface of a magnetic material. We develop a simple phenomenological theory for heat transfer dynamics in a coupled system of phonons and the Damon-Eshbach spin wave, and demonstrate that there arises a direction-selective heat flow as a result of the competition between an isotropic heat diffusion by phonons and a unidirectional heat drift by the spin wave. The phenomenological approach can account for the asymmetric local temperature distribution observed in the experiment.

  1. The General Theory of Relativity - A

    Office of Scientific and Technical Information (OSTI)

    Einstein's special theory of relativity addressed the problem of the invariant speed of light in vacuum by showing the interrelationship of space and time. The general theory of ...

  2. Thermoelectric Materials by Design, Computational Theory and...

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

    by Design, Computational Theory and Structure Thermoelectric Materials by Design, Computational Theory and Structure 2009 DOE Hydrogen Program and Vehicle Technologies Program...

  3. Optical Abelian lattice gauge theories

    SciTech Connect (OSTI)

    Tagliacozzo, L.; Celi, A.; Zamora, A.; Lewenstein, M.; ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08010 Barcelona

    2013-03-15

    We discuss a general framework for the realization of a family of Abelian lattice gauge theories, i.e., link models or gauge magnets, in optical lattices. We analyze the properties of these models that make them suitable for quantum simulations. Within this class, we study in detail the phases of a U(1)-invariant lattice gauge theory in 2+1 dimensions, originally proposed by P. Orland. By using exact diagonalization, we extract the low-energy states for small lattices, up to 4 Multiplication-Sign 4. We confirm that the model has two phases, with the confined entangled one characterized by strings wrapping around the whole lattice. We explain how to study larger lattices by using either tensor network techniques or digital quantum simulations with Rydberg atoms loaded in optical lattices, where we discuss in detail a protocol for the preparation of the ground-state. We propose two key experimental tests that can be used as smoking gun of the proper implementation of a gauge theory in optical lattices. These tests consist in verifying the absence of spontaneous (gauge) symmetry breaking of the ground-state and the presence of charge confinement. We also comment on the relation between standard compact U(1) lattice gauge theory and the model considered in this paper. - Highlights: Black-Right-Pointing-Pointer We study the quantum simulation of dynamical gauge theories in optical lattices. Black-Right-Pointing-Pointer We focus on digital simulation of abelian lattice gauge theory. Black-Right-Pointing-Pointer We rediscover and discuss the puzzling phase diagram of gauge magnets. Black-Right-Pointing-Pointer We detail the protocol for time evolution and ground-state preparation in any phase. Black-Right-Pointing-Pointer We provide two experimental tests to validate gauge theory quantum simulators.

  4. Microfluidic Technology Platforms for Synthesizing, Labeling and Measuring the Kinetics of Transport and Biochemical Reactions for Developing Molecular Imaging Probes

    SciTech Connect (OSTI)

    Phelps, Michael E.

    2009-09-01

    for radiochemistry (macro to micro levels), biochemistry and biology to imaging principles, tracer kinetics, pharmacokinetics and biochemical assays. New generations of radiochemists will be immersed in the biochemistry and biology for which their labeled probes are being developed for assays of these processes. In this program engineers and radio-chemists integrate the principles of microfluidics and radiolabeling along with proper system design and chemistry rule sets to yield Synthesizers enabling biological and pharmaceutical scientists to develop diverse arrays of probes to pursue their interests. This progression would allow also radiochemists to focus on the further evolution of rapid, high yield synthetic reactions with new enabling technologies, rather than everyday production of radiotracers that should be done by technologists. The invention of integrated circuits in electronics established a platform technology that allowed an evolution of ideas and applications far beyond what could have been imagined at the beginning. Rather than provide a technology for the solution to a single problem, it is hoped that microfluidic radiochemistry will be an enabling platform technology for others to solve many problems. As part of this objective, another program goal is to commercialize the technologies that come from this work so that they can be provided to others who wish to use it.

  5. Hadron particle theory

    SciTech Connect (OSTI)

    Alonso, J.R.

    1995-05-01

    Radiation therapy with ``hadrons`` (protons, neutrons, pions, ions) has accrued a 55-year track record, with by now over 30,000 patients having received treatments with one of these particles. Very good, and in some cases spectacular results are leading to growth in the field in specific well-defined directions. The most noted contributor to success has been the ability to better define and control the radiation field produced with these particles, to increase the dose delivered to the treatment volume while achieving a high degree of sparing of normal tissue. An additional benefit is the highly-ionizing, character of certain beams, leading to creater cell-killing potential for tumor lines that have historically been very resistant to radiation treatments. Until recently these treatments have been delivered in laboratories and research centers whose primary, or original mission was physics research. With maturity in the field has come both the desire to provide beam facilities more accessible to the clinical setting, of a hospital, as well as achieving, highly-efficient, reliable and economical accelerator and beam-delivery systems that can make maximum advantage of the physical characteristics of these particle beams. Considerable work in technology development is now leading, to the implementation of many of these ideas, and a new generation of clinically-oriented facilities is beginning to appear. We will discuss both the physical, clinical and technological considerations that are driving these designs, as well as highlighting, specific examples of new facilities that are either now treating, patients or that will be doing so in the near future.

  6. Double field theory inspired cosmology

    SciTech Connect (OSTI)

    Wu, Houwen; Yang, Haitang E-mail: hyanga@scu.edu.cn

    2014-07-01

    Double field theory proposes a generalized spacetime action possessing manifest T-duality on the level of component fields. We calculate the cosmological solutions of double field theory with vanishing Kalb-Ramond field. It turns out that double field theory provides a more consistent way to construct cosmological solutions than the standard string cosmology. We construct solutions for vanishing and non-vanishing symmetry preserving dilaton potentials. The solutions assemble the pre- and post-big bang evolutions in one single line element. Our results show a smooth evolution from an anisotropic early stage to an isotropic phase without any special initial conditions in contrast to previous models. In addition, we demonstrate that the contraction of the dual space automatically leads to both an inflation phase and a decelerated expansion of the ordinary space during different evolution stages.

  7. Plasma Confinement Theory and Modeling

    SciTech Connect (OSTI)

    David W. Ross

    2003-03-31

    OAK-B188 The FRC Theory Program has for years been devoted to understanding tokamak confinement through the comparison of experimental data with theory and theoretical models. This work supported the FRC Experimental Program on TEXT and TEXT-U, especially in the interpretation of fluctuation data and its relation to transport. In recent years, the experimentalists have been conducting turbulence measurements on DIII-D and are preparing to do so on ALCATOR C-MOD. The Theory Group collaborated in these studies by means of turbulence simulation. We also broadened our effort to participate in the National Transport Code Collaboration (NTCC) and the National Compact Stellarator Program. Our purpose has been both to participate more fully in the fusion program generally and to collaborate with FRC experimental programs on existing or new machines.

  8. Identification of Catalysts and Materials for a High-Energy Density Biochemical Fuel Cell: Cooperative Research and Development Final Report, CRADA Number CRD-09-345

    SciTech Connect (OSTI)

    Ghirardi, M.; Svedruzic, D.

    2013-07-01

    The proposed research attempted to identify novel biochemical catalysts, catalyst support materials, high-efficiency electron transfer agents between catalyst active sites and electrodes, and solid-phase electrolytes in order to maximize the current density of biochemical fuel cells that utilize various alcohols as substrates.

  9. Geometry, topology, and string theory

    SciTech Connect (OSTI)

    Varadarajan, Uday

    2003-07-10

    A variety of scenarios are considered which shed light upon the uses and limitations of classical geometric and topological notions in string theory. The primary focus is on situations in which D-brane or string probes of a given classical space-time see the geometry quite differently than one might naively expect. In particular, situations in which extra dimensions, non-commutative geometries as well as other non-local structures emerge are explored in detail. Further, a preliminary exploration of such issues in Lorentzian space-times with non-trivial causal structures within string theory is initiated.

  10. Lattice cluster theory for dense, thin polymer films

    SciTech Connect (OSTI)

    Freed, Karl F.

    2015-04-07

    While the application of the lattice cluster theory (LCT) to study the miscibility of polymer blends has greatly expanded our understanding of the monomer scale molecular details influencing miscibility, the corresponding theory for inhomogeneous systems has not yet emerged because of considerable technical difficulties and much greater complexity. Here, we present a general formulation enabling the extension of the LCT to describe the thermodynamic properties of dense, thin polymer films using a high dimension, high temperature expansion. Whereas the leading order of the LCT for bulk polymer systems is essentially simple Flory-Huggins theory, the highly non-trivial leading order inhomogeneous LCT (ILCT) for a film with L layers already involves the numerical solution of 3(L − 1) coupled, highly nonlinear equations for the various density profiles in the film. The new theory incorporates the essential “transport” constraints of Helfand and focuses on the strict imposition of excluded volume constraints, appropriate to dense polymer systems, rather than the maintenance of chain connectivity as appropriate for lower densities and as implemented in self-consistent theories of polymer adsorption at interfaces. The ILCT is illustrated by presenting examples of the computed profiles of the density, the parallel and perpendicular bonds, and the chain ends for free standing and supported films as a function of average film density, chain length, temperature, interaction with support, and chain stiffness. The results generally agree with expected general trends.

  11. Biochemical Control With Radiotherapy Improves Overall Survival in Intermediate and High-Risk Prostate Cancer Patients Who Have an Estimated 10-Year Overall Survival of >90%

    SciTech Connect (OSTI)

    Herbert, Christopher; Liu, Mitchell; Tyldesley, Scott; Morris, W. James; Joffres, Michel; Khaira, Mandip; Kwan, Winkle; Moiseenko, Vitali; Pickles, Thomas

    2012-05-01

    Purpose: To identify subgroups of patients with carcinoma of the prostate treated with radical radiotherapy that have improved overall survival when disease is biochemically controlled. Methods and Materials: A cohort of 1,060 prostate cancer patients treated with radical radiotherapy was divided into nine subgroups based on National Comprehensive Cancer Network risk category and estimated 10-year overall survival (eOS 10y) derived from the age adjusted Charlson Comorbidity Index. Patients with and without biochemical control were compared with respect to overall survival. Actuarial estimates of overall survival were calculated using the Kaplan-Meier method. Univariate and multivariate Cox proportional hazards models were used for analysis of overall survival. Results: Median follow-up was 125 months (range, 51-176 months). Only the subgroups with high or intermediate risk disease and an eOS 10y of >90% had a statistically significantly improved overall survival when prostate cancer was biochemically controlled. In all other groups, biochemical control made no significant difference to overall survival. In the subgroup with high-risk disease and eOS 10y >90%, actuarial overall survival was 86.3% (95% confidence interval [CI] 78.5%-94.1%) and 62.1% (95% CI 52.9%-71.3%) for patients with biochemical control and biochemical relapse respectively (p = 0.002). In the intermediate risk group with eOS >90%, actuarial overall survival was 95.3% (95% CI 89.0%-100%) and 79.8% (95% CI 68.0%-91.6%) for biochemically controlled and biochemically relapsed patients (p = 0.033). On multivariate analysis, National Comprehensive Cancer Network risk group (p = 0.005), biochemical control (p = 0.033) and eOS 10y (p < 0.001) were statistically significant. Conclusion: Biochemical control translates into improved overall survival in patients with high or intermediate risk disease and an estimated 10-year overall survival of >90%.

  12. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

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

    Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.

    2014-10-01

    We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, amore » finding in stark contrast to DAC data.« less

  13. Summary of heavy ion theory

    SciTech Connect (OSTI)

    Gavin, S.

    1994-09-01

    Can we study hot QCD using nuclear collisions? Can we learn about metallic hydrogen from the impact of comet Shoemaker-Levy 9 on Jupiter? The answer to both questions may surprise you! I summarize progress in relativistic heavy ion theory reported at DPF `94 in the parallel sessions.

  14. Moriond Electroweak 2006: Theory summary

    SciTech Connect (OSTI)

    Lykken, Joseph D.; /Fermilab

    2006-07-01

    A concise look at the big picture of particle physics, including the status of the Standard Model, neutrinos, supersymmetry, extra dimensions and cosmology. Based upon the theoretical summary presented at the XLIst Rencontres de Moriond on Electroweak Interactions and Unified Theories, La Thuile, 11-18 March 2006.

  15. Asymptotically Free Gauge Theories. I

    DOE R&D Accomplishments [OSTI]

    Wilczek, Frank; Gross, David J.

    1973-07-01

    Asymptotically free gauge theories of the strong interactions are constructed and analyzed. The reasons for doing this are recounted, including a review of renormalization group techniques and their application to scaling phenomena. The renormalization group equations are derived for Yang-Mills theories. The parameters that enter into the equations are calculated to lowest order and it is shown that these theories are asymptotically free. More specifically the effective coupling constant, which determines the ultraviolet behavior of the theory, vanishes for large space-like momenta. Fermions are incorporated and the construction of realistic models is discussed. We propose that the strong interactions be mediated by a "color" gauge group which commutes with SU(3)xSU(3). The problem of symmetry breaking is discussed. It appears likely that this would have a dynamical origin. It is suggested that the gauge symmetry might not be broken, and that the severe infrared singularities prevent the occurrence of non-color singlet physical states. The deep inelastic structure functions, as well as the electron position total annihilation cross section are analyzed. Scaling obtains up to calculable logarithmic corrections, and the naive lightcone or parton model results follow. The problems of incorporating scalar mesons and breaking the symmetry by the Higgs mechanism are explained in detail.

  16. Plasma theory and simulation research

    SciTech Connect (OSTI)

    Birdsall, C.K.

    1989-01-01

    Our research group uses both theory and simulation as tools in order to increase the understanding of instabilities, heating, diffusion, transport and other phenomena in plasmas. We also work on the improvement of simulation, both theoretically and practically. Our focus has been more and more on the plasma edge (the sheath''), interactions with boundaries, leading to simulations of whole devices (someday a numerical tokamak).

  17. Membrane process designs in the recovery of bio-fuels and bio-chemicals

    SciTech Connect (OSTI)

    Leeper, S.A.

    1990-01-01

    In this presentation, the emerging membrane unit operations and process designs that can be used in recovery of fuels and organic chemicals produced via bioconversion are briefly summarized. Product recovery costs are a major barrier to increased use of bioconversion for the production of fuels and chemicals. The integration of developing membrane unit operations into product recovery schemes may reduce process energy requirements and cost. Membrane unit operations that are used or studied in recovery of bio-fuels and organic chemicals include pervaporation (PV), vapor permeation (VPe), reverse osmosis (RO), membrane extraction, and electrodialysis (ED). Although it can be argued that ultrafiltration (UF) is used to purify bio-fuels and bio-chemicals, UF is not included in this survey for two reasons: (1) the primary uses of UF in bioprocessing are to clarify fermentation broth and to retain cells/enzymes in bioreactors and (2) the literature on UF in biotechnology is expansive. Products of bioconversion for which data are compiled include ethanol, acetone, butanol, glycerol, isopropanol, ethyl acetate, fusel oils, acetaldehyde, acetic acid, butyric acid, citric acid, propionic acid, succinic acid, and tartaric acid. 13 refs.

  18. (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.

  19. Modified biochemical methane potential (BMP) assays to assess biodegradation potential of landfilled refuse

    SciTech Connect (OSTI)

    Bogner, J.E.; Rose, C.; Piorkowski, R.

    1989-01-01

    Modified Biochemical Methane Potential (BMP) assays were used to assess biogas production potential of solid landfill samples. In landfill samples with visible soil content, moisture addition alone was generally as effective at stimulating biogas production as the addition of a comprehensive nutrient media. In a variety of samples from humid and semiarid landfills, addition of an aqueous nutrient media was the most effective stimulant for biogas production; however, moisture addition was almost as effective for most samples, suggesting that water addition would be the most cost-effective field approach. Onset of methanogenesis was slower in fresh refuse samples (even when inoculated with anaerobic digester sludge) than in landfill samples, indicating that the soil into which materials are landfilled is a major source of microorganisms. High volatile solids loading in fresh refuse and landfill assays retarded methanogenesis. A comparison of anaerobic and aerobic sample handling techniques showed no significant differences with regard to onset of methanogenesis and total gas production. The technique shows initial promise with regard to replication and reproducibility of results and could be a meaningful addition to landfill site evaluations where commercial gas recovery is anticipated. The BMP technique could also be adapted to assess anaerobic biodegradability of other solid waste materials for conventional anaerobic digestion applications. 9 refs., 6 figs., 2 tabs.

  20. Monolithic piezoelectric sensor (MPS) for sensing chemical, biochemical and physical measurands

    DOE Patents [OSTI]

    Andle, Jeffrey C.; Lec, Ryszard M.

    2000-01-01

    A piezoelectric sensor and assembly for measuring chemical, biochemical and physical measurands is disclosed. The piezoelectric sensor comprises a piezoelectric material, preferably a crystal, a common metal layer attached to the top surface of the piezoelectric crystal, and a pair of independent resonators placed in close proximity on the piezoelectric crystal such that an efficacious portion of acoustic energy couples between the resonators. The first independent resonator serves as an input port through which an input signal is converted into mechanical energy within the sensor and the second independent resonator serves an output port through which a filtered replica of the input signal is detected as an electrical signal. Both a time delay and an attenuation at a given frequency between the input signal and the filtered replica may be measured as a sensor output. The sensor may be integrated into an assembly with a series feedback oscillator and a radio frequency amplifier to process the desired sensor output. In the preferred embodiment of the invention, a selective film is disposed upon the grounded metal layer of the sensor and the resonators are encapsulated to isolate them from the measuring environment. In an alternative embodiment of the invention, more than two resonators are used in order to increase the resolution of the sensor.

  1. Percolation theory and quantum critical systems: A new description of the critical behavior in Ce(Ru{sub 0.24}Fe{sub 0.76}){sub 2}Ge{sub 2}

    SciTech Connect (OSTI)

    Gaddy, John; Heitmann, Tom; Montfrooij, Wouter

    2014-05-07

    The onset of ordering in quantum critical systems is characterized by a competition between the Kondo shielding of magnetic moments and the ordering of these moments. We show how a distribution of Kondo shielding temperaturesresulting from chemical dopingleads to critical behavior whose main characteristics are given by percolation physics. With the aid of Monte Carlo computer simulations, we are able to infer the low temperature part of the distribution of shielding temperatures in heavily doped quantum critical Ce(Ru{sub 0.24}Fe{sub 0.76}){sub 2}Ge{sub 2}. Based on this distribution, we show that the ordering dynamicssuch as the growth of the correlation length upon coolingcan be understood by the spawning of magnetic clusters. Our findings explain why the search for universal exponents in quantum critical systems has been unsuccessful: the underlying percolation network associated with the chemical doping of quantum critical systems has to be incorporated in the modeling of these quantum critical systems.

  2. Vortex operators in gauge field theories

    SciTech Connect (OSTI)

    Polchinski, J.

    1980-07-01

    Several related aspects of the 't Hooft vortex operator are studied. The current picture of the vacuum of quantum chromodynamics, the idea of dual field theories, and the idea of the vortex operator are reviewed first. The Abelian vortex operator written in terms of elementary fields and the calculation of its Green's functions are considered. A two-dimensional solvable model of a Dirac string is presented. The expression of the Green's functions more neatly in terms of Wu and Yang's geometrical idea of sections is addressed. The renormalization of the Green's functions of two kinds of Abelian looplike operators, the Wilson loop and the vortex operator, is studied; for both operators only an overall multiplicative renormalization is needed. In the case of the vortex this involves a surprising cancellation. Next, the dependence of the Green's functions of the Wilson and 't Hooft operators on the nature of the vacuum is discussed. The cluster properties of the Green's functions are emphasized. It is seen that the vortex operator in a massive Abelian theory always has surface-like clustering. The form of Green's functions in terms of Feynman graphs is the same in Higgs and symmetric phases; the difference appears in the sum over all tadpole trees. Finally, systems having fields in the fundamental representation are considered. When these fields enter only weakly into the dynamics, a vortex-like operator is anticipated. Any such operator can no longer be local looplike, but must have commutators at long range. A U(1) lattice gauge theory with two matter fields, one singly charged (fundamental) and one doubly charged (adjoint), is examined. When the fundamental field is weakly coupled, the expected phase transitions are found. When it is strongly coupled, the operator still appears to be a good order parameter, a discontinuous change in its behavior leads to a new phase transition. 18 figures.

  3. Dynamic microscopic theory of fusion using DC-TDHF

    SciTech Connect (OSTI)

    Umar, A. S.; Oberacker, V. E.; Keser, R.; Maruhn, J. A.; Reinhard, P.-G.

    2012-10-20

    The density-constrained time-dependent Hartree-Fock (DC-TDHF) theory is a fully microscopic approach for calculating heavy-ion interaction potentials and fusion cross sections below and above the fusion barrier. We discuss recent applications of DC-TDHF method to fusion of light and heavy systems.

  4. Catalysis by Design: Bridging the Gap Between Theory and Experiments at

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

    Nanoscale Level | Department of Energy Between Theory and Experiments at Nanoscale Level Catalysis by Design: Bridging the Gap Between Theory and Experiments at Nanoscale Level Studies on a simple platinum-alumina system constitute a first step toward a "catalyst by design" approach. deer08_narula.pdf (273.18 KB) More Documents & Publications Catalysis by Design: Bridging the Gap between Theory and Experiments Catalyst by Design - Theoretical, Nanostructural, and Experimental

  5. Unexpected Cancellations in Gravity Theories

    SciTech Connect (OSTI)

    Bern, Z.; Carrasco, J.J.; Forde, D.; Ita, H.; Johansson, H.; /UCLA

    2007-07-13

    Recent computations of scattering amplitudes show that N = 8 supergravity is surprisingly well behaved in the ultraviolet and may even be ultraviolet finite in perturbation theory. The novel cancellations necessary for ultraviolet finiteness first appear at one loop in the guise of the ''no-triangle hypothesis''. We study one-loop amplitudes in pure Einstein gravity and point out the existence of cancellations similar to those found previously in N = 8 supergravity. These cancellations go beyond those found in the one-loop effective action. Using unitarity, this suggests that generic theories of quantum gravity based on the Einstein-Hilbert action may be better behaved in the ultraviolet at higher loops than suggested by naive power counting, though without additional (supersymmetric) cancellations they diverge. We comment on future studies that should be performed to support this proposal.

  6. Miniaturized reaction vessel system, method for performing site-specific biochemical reactions and affinity fractionation for use in DNA sequencing

    DOE Patents [OSTI]

    Mirzabekov, Andrei Darievich; Lysov, Yuri Petrovich; Dubley, Svetlana A.

    2000-01-01

    A method for fractionating and sequencing DNA via affinity interaction is provided comprising contacting cleaved DNA to a first array of oligonucleotide molecules to facilitate hybridization between said cleaved DNA and the molecules; extracting the hybridized DNA from the molecules; contacting said extracted hybridized DNA with a second array of oligonucleotide molecules, wherein the oligonucleotide molecules in the second array have specified base sequences that are complementary to said extracted hybridized DNA; and attaching labeled DNA to the second array of oligonucleotide molecules, wherein the labeled re-hybridized DNA have sequences that are complementary to the oligomers. The invention further provides a method for performing multi-step conversions of the chemical structure of compounds comprising supplying an array of polyacrylamide vessels separated by hydrophobic surfaces; immobilizing a plurality of reactants, such as enzymes, in the vessels so that each vessel contains one reactant; contacting the compounds to each of the vessels in a predetermined sequence and for a sufficient time to convert the compounds to a desired state; and isolating the converted compounds from said array.

  7. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory Print Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and other carbon-based compounds. It's a discovery that could help combustion chemists make more efficient, less polluting fuels and help materials scientists fine-tune their carbon nanotubes and graphene sheets for faster, smaller electronics. In addition, the results could have implications for the burgeoning field of

  8. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory Print Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and other carbon-based compounds. It's a discovery that could help combustion chemists make more efficient, less polluting fuels and help materials scientists fine-tune their carbon nanotubes and graphene sheets for faster, smaller electronics. In addition, the results could have implications for the burgeoning field of

  9. Beyond the Standard Model Theory

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

    Beyond the Standard Model Theory Beyond the Standard Model Understanding discoveries at the Energy, Intensity, and Cosmic Frontiers Get Expertise Rajan Gupta (505) 667-7664 Email Bruce Carlsten (505) 667-5657 Email LHC physics at Los Alamos The Large Hadron Collider (LHC) is studying the structure of matter at sub-nucleon distance scales by colliding protons together at high center of mass energy. The LHC has a broad scientific program, performing studies of QCD, heavy quarks, the W and Z

  10. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory Print Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and other carbon-based compounds. It's a discovery that could help combustion chemists make more efficient, less polluting fuels and help materials scientists fine-tune their carbon nanotubes and graphene sheets for faster, smaller electronics. In addition, the results could have implications for the burgeoning field of

  11. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory Print Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and other carbon-based compounds. It's a discovery that could help combustion chemists make more efficient, less polluting fuels and help materials scientists fine-tune their carbon nanotubes and graphene sheets for faster, smaller electronics. In addition, the results could have implications for the burgeoning field of

  12. ALS Evidence Confirms Combustion Theory

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

    ALS Evidence Confirms Combustion Theory Print Researchers recently uncovered the first step in the process that transforms gas-phase molecules into solid particles like soot and other carbon-based compounds. It's a discovery that could help combustion chemists make more efficient, less polluting fuels and help materials scientists fine-tune their carbon nanotubes and graphene sheets for faster, smaller electronics. In addition, the results could have implications for the burgeoning field of

  13. Structural and biochemical characterization of AidC, a quorum-quenching lactonase with atypical selectivity

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

    Mascarenhas, Romila; Thomas, Pei W.; Wu, Chun -Xiang; Nocek, Boguslaw P.; Hoang, Quyen Q.; Liu, Dali; Fast, Walter

    2015-06-26

    Quorum-quenching catalysts are of interest for potential application as biochemical tools for interrogating interbacterial communication pathways, as antibiofouling agents, and as anti-infective agents in plants and animals. Herein, the structure and function of AidC, an N-acyl-l-homoserine lactone (AHL) lactonase from Chryseobacterium, is characterized. Steady-state kinetics show that zinc-supplemented AidC is the most efficient wild-type quorum-quenching enzymes characterized to date, with a kcat/KM value of approximately 2 × 106 M-1 s-1 for N-heptanoyl-l-homoserine lactone. The enzyme has stricter substrate selectivity and significantly lower KM values (ca. 50 μM for preferred substrates) compared to those of typical AHL lactonases (ca. >1 mM).more » X-ray crystal structures of AidC alone and with the product N-hexanoyl-l-homoserine were determined at resolutions of 1.09 and 1.67 Å, respectively. Each structure displays as a dimer, and dimeric oligiomerization was also observed in solution by size-exclusion chromatography coupled with multiangle light scattering. Lastly, the structures reveal two atypical features as compared to previously characterized AHL lactonases: a "kinked" α-helix that forms part of a closed binding pocket that provides affinity and enforces selectivity for AHL substrates and an active-site His substitution that is usually found in a homologous family of phosphodiesterases. We discuss implications for the catalytic mechanism of AHL lactonases.« less

  14. Towards eliminating systematic errors caused by the experimental conditions in Biochemical Methane Potential (BMP) tests

    SciTech Connect (OSTI)

    Strömberg, Sten; Nistor, Mihaela; Liu, Jing

    2014-11-15

    Highlights: • The evaluated factors introduce significant systematic errors (10–38%) in BMP tests. • Ambient temperature (T) has the most substantial impact (∼10%) at low altitude. • Ambient pressure (p) has the most substantial impact (∼68%) at high altitude. • Continuous monitoring of T and p is not necessary for kinetic calculations. - Abstract: The Biochemical Methane Potential (BMP) test is increasingly recognised as a tool for selecting and pricing biomass material for production of biogas. However, the results for the same substrate often differ between laboratories and much work to standardise such tests is still needed. In the current study, the effects from four environmental factors (i.e. ambient temperature and pressure, water vapour content and initial gas composition of the reactor headspace) on the degradation kinetics and the determined methane potential were evaluated with a 2{sup 4} full factorial design. Four substrates, with different biodegradation profiles, were investigated and the ambient temperature was found to be the most significant contributor to errors in the methane potential. Concerning the kinetics of the process, the environmental factors’ impact on the calculated rate constants was negligible. The impact of the environmental factors on the kinetic parameters and methane potential from performing a BMP test at different geographical locations around the world was simulated by adjusting the data according to the ambient temperature and pressure of some chosen model sites. The largest effect on the methane potential was registered from tests performed at high altitudes due to a low ambient pressure. The results from this study illustrate the importance of considering the environmental factors’ influence on volumetric gas measurement in BMP tests. This is essential to achieve trustworthy and standardised results that can be used by researchers and end users from all over the world.

  15. COATINGS FOR PROTECTION OF EQUIPMENT FOR BIOCHEMICAL PROCESSING OF GEOTHERMAL RESIDUES: PROGRESS REPORT FY 97

    SciTech Connect (OSTI)

    ALLAN,M.L.

    1997-11-01

    Thermal sprayed ethylene methacrylic acid (EMAA) and ethylene tetrafluoroethylene (ETFE), spray-and-bake ETFE and polyvinylidene fluoride (PVDF) and brushable ceramic-epoxy coatings were evaluated for corrosion protection in a biochemical process to treat geothermal residues. The findings are also relevant to other moderate temperature brine environments where corrosion is a problem. Coupon, Atlas cell, peel strength, cathodic disbondment and abrasion tests were performed in aggressive environments including geothermal sludge, hypersaline brine and sulfur-oxidizing bacteria (Thiobadus ferrooxidans) to determine suitability for protecting storage tanks and reaction vessels. It was found that all of the coatings were resistant to chemical attack and biodegradation at the test temperature of 55 C. The EMAA coatings protected 316L stainless steel from corrosion in coupon tests. However, corrosion of mild steel substrates thermal sprayed with EMAA and ETFE occurred in Atlas cell tests that simulated a lined reactor operating environment and this resulted in decreased adhesive strength. Peel tests to measure residual adhesion revealed that failure mode was dependent on exposure conditions. Long-term tests on the durability of ceramic-epoxy coatings in brine and bacteria are ongoing. Initial indications are that this coating has suitable characteristics. Abrasion tests showed that the ceramic-epoxy had good resistance to the abrasive effects of sludge. Thermal sprayed EMAA coatings also displayed abrasion resistance. Cathodic disbondment tests in brine at room temperature indicated that EMAA coatings are resistant to disbondment at applied potentials of {minus}780 to {minus}1,070 mV SCE for the test conditions and duration. Slight disbondment of one specimen occurred at a potential of {minus}1,500 mV SCE. The EMAA may be suited to use in conjunction with cathodic protection although further long-term, higher temperature testing would be needed.

  16. Coatings for protection of equipment for biochemical processing of geothermal residues: Progress report FY`97

    SciTech Connect (OSTI)

    Allan, M.L.

    1997-11-01

    Thermal sprayed ethylene methacrylic acid (EMAA) and ethylene tetrafluoroethylene (ETFE), spray-and-bake ETFE and polyvinylidene fluoride (PVDF) and brushable ceramic-epoxy coatings were evaluated for corrosion protection in a biochemical process to treat geothermal residues. Coupon, Atlas cell, peel strength, cathodic disbondment and abrasion tests were performed in aggressive environments including geothermal sludge, hypersaline brine and sulfur-oxidizing bacteria (Thiobacillus ferrooxidans) to determine suitability for protecting storage tanks and reaction vessels. It was found that all of the coatings were resistant to chemical attack and biodegradation at the test temperature of 55 C. The EMAA coatings protected 316L stainless steel from corrosion in coupon tests. However, corrosion of mild steel substrates thermal sprayed with EMAA and ETFE occurred in Atlas cell tests that simulated a lined reactor operating environment and this resulted in decreased adhesive strength. Peel tests to measure residual adhesion revealed that failure mode was dependent on exposure conditions. Abrasion tests showed that the ceramic-epoxy had good resistance to the abrasive effects of sludge. Thermal sprayed EMAA coatings also displayed abrasion resistance. Cathodic disbondment tests in brine at room temperature indicated that EMAA coatings are resistant to disbondment at applied potentials of {minus}780 to {minus}1,070 mV SCE for the test conditions and duration. Slight disbondment of one specimen occurred at a potential of {minus}1,500 mV SCE. The EMAA may be suited to use in conjunction with cathodic protection although further long-term, higher temperature testing would be needed.

  17. High-Dose-Rate Brachytherapy Alone for Localized Prostate Cancer in Patients at Moderate or High Risk of Biochemical Recurrence

    SciTech Connect (OSTI)

    Hoskin, Peter; Rojas, Ana; Lowe, Gerry; Bryant, Linda; Ostler, Peter; Hughes, Rob; Milner, Jessica; Cladd, Helen

    2012-03-15

    Purpose: To evaluate genitourinary (GU) and gastrointestinal (GI) morbidity and biochemical control of disease in patients with localized prostate adenocarcinoma treated with escalating doses per fraction of high-dose rate brachytherapy alone. Methods and Materials: A total of 197 patients were treated with 34 Gy in four fractions, 36 Gy in four fractions, 31.5 Gy in three fractions, or 26 Gy in two fractions. Median follow-up times were 60, 54, 36, and 6 months, respectively. Results: Incidence of early Grade {>=} 3 GU morbidity was 3% to 7%, and Grade 4 was 0% to 4%. During the first 12 weeks, the highest mean International Prostate Symptom Score (IPSS) value was 14, and between 6 months and 5 years it was 8. Grade 3 or 4 early GI morbidity was not observed. The 3-year actuarial rate of Grade 3 GU was 3% to 16%, and was 3% to 7% for strictures requiring surgery (4-year rate). An incidence of 1% Grade 3 GI events was seen at 3 years. Late Grade 4 GU or GI events were not observed. At 3 years, 99% of patients with intermediate-risk and 91% with high-risk disease were free of biochemical relapse (log-rank p = 0.02). Conclusions: There was no significant difference in urinary and rectal morbidity between schedules. Biochemical control of disease in patients with intermediate and high risk of relapse was good.

  18. SU{sub {ital q}}(2) lattice gauge theory

    SciTech Connect (OSTI)

    Bimonte, G.; Stern, A.; Vitale, P.

    1996-07-01

    We reformulate the Hamiltonian approach to lattice gauge theories such that, at the classical level, the gauge group does not act canonically, but instead as a Poisson-Lie group. At the quantum level, the symmetry gets promoted to a quantum group gauge symmetry. The theory depends on two parameters: the deformation parameter {lambda} and the lattice spacing {ital a}. We show that the system of Kogut and Susskind is recovered when {lambda}{r_arrow}0, while QCD is recovered in the continuum limit (for any {lambda}). We, thus, have the possibility of having a two-parameter regularization of QCD. {copyright} {ital 1996 The American Physical Society.}

  19. Driven Morse oscillator: Classical chaos, quantum theory, and photodissociation

    SciTech Connect (OSTI)

    Goggin, M.E.; Milonni, P.W.

    1988-02-01

    We compare the classical and quantum theories of a Morse oscillator driven by a sinusoidal field, focusing attention on multiple-photon excitation and dissociation. In both the classical and quantum theories the threshold field strength for dissociation may be estimated fairly accurately on the basis of classical resonance overlap, and the classical and quantum results for the threshold are in good agreement except near higher-order classical resonances and quantum multiphoton resonances. We discuss the possibility of ''quantum chaos'' in such driven molecular systems and use the Morse oscillator to test the manifestations of classical resonance overlap suggested semiclassically.

  20. Effective field theory for a heavy Majorana fermion

    SciTech Connect (OSTI)

    Koepp, Karoline; Okui, Takemichi

    2011-11-01

    We formulate an effective theory for systems containing a heavy Majorana fermion, such as bound states of a long-lived gluino. This 'Majorana HQET' has the same degrees of freedom as the well-studied Dirac HQET. It respects an emergent U(1) symmetry despite the fundamental absence of a U(1) for Majorana fermions. Reparametrization invariance works identically in the two HQETs. Remarkably, while a Dirac HQET may or may not be charge conjugation symmetric, a charge conjugation symmetry emerges in all Majorana HQETs, potentially offering low energy probes to distinguish the two theories.

  1. The edge of supersymmetry: Stability walls in heterotic theory

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

    Anderson, Lara B.; Gray, James; Lukas, Andre; Ovrut, Burt

    2009-05-15

    We explicitly describe, in the language of four-dimensional N = 1 supersymmetric field theory, what happens when the moduli of a heterotic Calabi-Yau compactification change so as to make the internal non-Abelian gauge fields non-supersymmetric. At the edge of the region in Kähler moduli space where supersymmetry can be preserved, an additional anomalous U(1) gauge symmetry appears in the four-dimensional theory. The D-term contribution to the scalar potential associated to this U(1) attempts to force the system back into a supersymmetric configuration and provides a consistent low-energy description of gauge bundle stability.

  2. Communication: Embedded fragment stochastic density functional theory

    SciTech Connect (OSTI)

    Neuhauser, Daniel; Baer, Roi; Rabani, Eran

    2014-07-28

    We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the scaling and the simplicity of the stochastic DFT but cures the slow convergence that occurs when weakly coupled subsystems are treated. It overcomes the spurious charge fluctuations that impair the applications of the original stochastic DFT approach. We demonstrate the new approach on a fullerene dimer and on clusters of water molecules and show that the density of states and the total energy can be accurately described with a relatively small number of stochastic orbitals.

  3. Jack Shlachter presents Jews in Theory

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

    Jack Shlachter presents Jews in Theory Jack Shlachter presents Jews in Theory WHEN: Oct 04, 2015 3:00 PM - 4:00 PM WHERE: Bradbury Science Museum 1350 Central Ave, Los Alamos, NM...

  4. Supplement to Theory of Neutron Chain Reactions

    DOE R&D Accomplishments [OSTI]

    Weinberg, Alvin M.; Noderer, L. C.

    1952-05-26

    General discussions are given of the theory of neutron chain reactions. These include observations on exponential experiments, the general reactor with resonance fission, microscopic pile theory, and homogeneous slow neutron reactors. (B.J.H.)

  5. 1994 International Sherwood Fusion Theory Conference

    SciTech Connect (OSTI)

    1994-04-01

    This report contains the abstracts of the paper presented at the 1994 International Sherwood Fusion Theory Conference.

  6. Periodic subsystem density-functional theory

    SciTech Connect (OSTI)

    Genova, Alessandro; Pavanello, Michele; Ceresoli, Davide

    2014-11-07

    By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn–Sham DFT. To date, however, FDE has been employed to molecular systems only. Periodic systems, such as metals, semiconductors, and other crystalline solids have been outside the applicability of FDE, mostly because of the lack of a periodic FDE implementation. To fill this gap, in this work we aim at extending FDE to treat subsystems of molecular and periodic character. This goal is achieved by a dual approach. On one side, the development of a theoretical framework for periodic subsystem DFT. On the other, the realization of the method into a parallel computer code. We find that periodic FDE is capable of reproducing total electron densities and (to a lesser extent) also interaction energies of molecular systems weakly interacting with metallic surfaces. In the pilot calculations considered, we find that FDE fails in those cases where there is appreciable density overlap between the subsystems. Conversely, we find FDE to be in semiquantitative agreement with Kohn–Sham DFT when the inter-subsystem density overlap is low. We also conclude that to make FDE a suitable method for describing molecular adsorption at surfaces, kinetic energy density functionals that go beyond the GGA level must be employed.

  7. Genomic Prostate Cancer Classifier Predicts Biochemical Failure and Metastases in Patients After Postoperative Radiation Therapy

    SciTech Connect (OSTI)

    Den, Robert B.; Feng, Felix Y.; Showalter, Timothy N.; Mishra, Mark V.; Trabulsi, Edouard J.; Lallas, Costas D.; Gomella, Leonard G.; Kelly, W. Kevin; Birbe, Ruth C.; McCue, Peter A.; Ghadessi, Mercedeh; Yousefi, Kasra; Davicioni, Elai; Knudsen, Karen E.; Dicker, Adam P.

    2014-08-01

    Purpose: Totest the hypothesis that a genomic classifier (GC) would predict biochemical failure (BF) and distant metastasis (DM) in men receiving radiation therapy (RT) after radical prostatectomy (RP). Methods and Materials: Among patients who underwent post-RP RT, 139 were identified for pT3 or positive margin, who did not receive neoadjuvant hormones and had paraffin-embedded specimens. Ribonucleic acid was extracted from the highest Gleason grade focus and applied to a high-density-oligonucleotide microarray. Receiver operating characteristic, calibration, cumulative incidence, and Cox regression analyses were performed to assess GC performance for predicting BF and DM after post-RP RT in comparison with clinical nomograms. Results: Thearea under the receiver operating characteristic curve of the Stephenson model was 0.70 for both BF and DM, with addition of GC significantly improving area under the receiver operating characteristic curve to 0.78 and 0.80, respectively. Stratified by GC risk groups, 8-year cumulative incidence was 21%, 48%, and 81% for BF (P<.0001) and for DM was 0, 12%, and 17% (P=.032) for low, intermediate, and high GC, respectively. In multivariable analysis, patients with high GC had a hazard ratio of 8.1 and 14.3 for BF and DM. In patients with intermediate or high GC, those irradiated with undetectable prostate-specific antigen (PSA ?0.2ng/mL) had median BF survival of >8years, compared with <4years for patients with detectable PSA (>0.2ng/mL) before initiation of RT. At 8years, the DM cumulative incidence for patients with high GC and RT with undetectable PSA was 3%, compared with 23% with detectable PSA (P=.03). No outcome differences were observed for low GC between the treatment groups. Conclusion: The GC predicted BF and metastasis after post-RP irradiation. Patients withlower GC risk may benefit from delayed RT, as opposed to those with higher GC; however, this needs prospective validation. Genomic-based models may be

  8. Molecular Siganture and Sources of Biochemical Recalcitrance of Organic C in Amozonian Dark Earths

    SciTech Connect (OSTI)

    Solomon,D.; Lehmann, J.; Thies, J.; Schafer, T.; Liang, B.; Kinyangi, J.; Neves, E.; Peterson, J.; Liuzao, F.; Skjemstad, J.

    2007-01-01

    Amazonian Dark Earths (ADE) are a unique type of soils developed through intense anthropogenic activities that transformed the original soils into Anthrosols throughout the Brazilian Amazon Basin. We conducted a comparative molecular-level investigation of soil organic C (SOC) speciation in ADE (ages between 600 and 8700 years B.P.) and adjacent soils using ultraviolet photo-oxidation coupled with {sup 13}C cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR), synchrotron-based Fourier transform infrared-attenuated total reflectance (Sr-FTIR-ATR) and C (1s) near edge X-ray absorption fine structure (NEXAFS) spectroscopy to obtain deeper insights into the structural chemistry and sources of refractory organic C compounds in ADE. Our results show that the functional group chemistry of SOC in ADE was considerably different from adjacent soils. The SOC in ADE was enriched with: (i) aromatic-C structures mostly from H- and C-substituted aryl-C, (ii) O-rich organic C forms from carboxylic-C, aldehyde-C, ketonic-C and quinine-C, and (iii) diverse group of refractory aliphatic-C moieties. The SOC in adjacent soils was predominantly composed of O-alkyl-C and methoxyl-C/N-alkyl-C structures and elements of labile aliphatic-C functionalities. Our study suggests that the inherent molecular structures of organic C due to selective accumulation of highly refractory aryl-C structures seems to be the key factor for the biochemical recalcitrance and stability of SOC in ADE. Anthropogenic enrichment with charred carbonaceous residues from biomass-derived black C (BC) is presumed to be the precursor of these recalcitrant polyaromatic structures. Our results also highlight the complementary role that might be played by organic C compounds composed of O-containing organic C moieties and aliphatic-C structures that persisted for millennia in these anthropic soils as additional or secondary sources of chemical recalcitrance of SOC in ADE. These organic C

  9. Foundations of nonlinear gyrokinetic theory

    SciTech Connect (OSTI)

    Brizard, A. J.; Hahm, T. S.

    2007-04-15

    Nonlinear gyrokinetic equations play a fundamental role in our understanding of the long-time behavior of strongly magnetized plasmas. The foundations of modern nonlinear gyrokinetic theory are based on three pillars: (i) a gyrokinetic Vlasov equation written in terms of a gyrocenter Hamiltonian with quadratic low-frequency ponderomotivelike terms, (ii) a set of gyrokinetic Maxwell (Poisson-Ampere) equations written in terms of the gyrocenter Vlasov distribution that contain low-frequency polarization (Poisson) and magnetization (Ampere) terms, and (iii) an exact energy conservation law for the gyrokinetic Vlasov-Maxwell equations that includes all the relevant linear and nonlinear coupling terms. The foundations of nonlinear gyrokinetic theory are reviewed with an emphasis on rigorous application of Lagrangian and Hamiltonian Lie-transform perturbation methods in the variational derivation of nonlinear gyrokinetic Vlasov-Maxwell equations. The physical motivations and applications of the nonlinear gyrokinetic equations that describe the turbulent evolution of low-frequency electromagnetic fluctuations in a nonuniform magnetized plasmas with arbitrary magnetic geometry are discussed.

  10. A new quasidilaton theory of massive gravity (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    A new quasidilaton theory of massive gravity Citation Details In-Document Search Title: A new quasidilaton theory of massive gravity We present a new quasidilaton theory of...