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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A multi-plex protein expression system for production of complex enzyme formulations in Trichoderma reesei

Abstract Heterologous protein production has been challenging in the hyper-cellulolytic fungus, Trichoderma reesei as the species is known for poor transformation efficiency, low homologous recombination frequency, and marginal screening systems for the identification of successful transformants. We have applied the 2A-peptide multi-gene expression system to co-express four proteins, which include three cellulases: a cellobiohydrolase (CBH1), an endoglucanase (EG1), and a β-D-glucosidase (BGL1), as well as the enhanced green fluorescent protein (eGFP) marker protein. We designed a new chassis vector, pTrEno-4X-2A, for this work. Expression of these cellulase enzymes was confirmed by real-time quantitative reverse transcription PCR and immunoblot analysis. The activity of each cellulase was assessed using chromogenic substrates, which confirmed the functionality of the enzymes. Expression and activity of these enzymes were proportional to the level of eGFP fluorescence, thereby validating the reliability of this screening technique. An 18-fold differencein protein expression was observed between the first and third genes within the 2A-peptide construct. The availability of this new multi-gene expression and screening tool is expected to greatly impact multi-enzyme applications, such as the production of complex commercial enzyme formulations and metabolic pathway enzymes, especially those destined for cell-free applications.

09 BIOMASS FUELS↗
DOE OSTI2010

Adiabatic approximation for quantum dissipative systems: Formulation, topology, and superadiabatic tracking

A generalized adiabatic approximation is formulated for a two-state dissipative Hamiltonian which is valid beyond weak dissipation regimes. The history of the adiabatic passage is described by superadiabatic bases as in the nondissipative regime. The topology of the eigenvalue surfaces shows that the population transfer requires, in general, a strong coupling with respect to the dissipation rate. We present, furthermore, an extension of the Davis-Dykhne-Pechukas formula to the dissipative regime using the formalism of Stokes lines. Processes of population transfer by an external frequency-chirped pulse-shaped field are given as examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Particle creation in Bose-Einstein condensates: Theoretical formulation based on conserving gapless mean-field theory

We formulate particle-creation phenomena in Bose-Einstein condensates in terms of conserving gapless mean-field theory for weakly interacting Bose gases. The particle-creation spectrum is calculated by rediagonalizing the Bogoliubov-de Gennes (BdG) Hamiltonian in mean-field theory. The conservation implies that quasiparticle creation is accompanied by quantum back reaction to the condensates. Particle creation in this mean-field theory is found to be equivalent to that in quantum field theory (QFT) in curved space-time. An expression is obtained for an effective metric affected by quantum back reaction. The formula for the particle-creation spectrum obtained in terms of QFT in curved space-time is shown to be the same as that given by rediagonalizing the BdG Hamiltonian.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Lagrangian-Hamiltonian formulation of paraxial optics and applications: Study of gauge symmetries and the optical spin Hall effect

In the context of the paraxial regime, usually valid for optical frequencies and also in the microwave spectrum of guided waves, the propagation of electromagnetic fields can be analyzed through a paraxial wave equation, which is analogous to the nonrelativistic Schroedinger equation of quantum mechanics but replacing time t with spatial coordinate z. Considering that, here it is shown that for lossless media in optical frequencies it is possible to construct a Lagrangian operator with an one-to-one correspondence with nonrelativistic quantum mechanics, which allows someone to use the same mathematical methods and techniques for solving problems. To demonstrate that, we explore a few applications in optics with increasing levels of complexity. In the spirit of a Hamiltonian formulation, the ray-tracing trajectories of geometric optics in paraxial regime are obtained in a clear manner. Following that, the gauge symmetries of the optical-field Lagrangian density is discussed in a detailed way, leading to the general form of the interaction Hamiltonian. Through the use of perturbation theory, we discuss a classical analog for a quantum not gate, making use of mode coupling in an isotropic chiral medium. At last, we explore the optical spin Hall effect and its possible applications using an effective geometric optics equation derived from an interaction Hamiltonian for the optical fields. We also predict within the framework of paraxial optics a spin Hall effect of light induced by gravitational fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Potential splitting approach to multichannel Coulomb scattering: The driven Schroedinger equation formulation

In this paper we suggest an approach for the multichannel Coulomb scattering problem. The Schroedinger equation for the problem is reformulated in the form of a set of inhomogeneous equations with a finite-range driving term. The boundary conditions at infinity for this set of equations have been proven to be purely outgoing waves. The formulation presented here is based on splitting the interaction potential into a finite-range core part and a long-range tail part. The conventional matching procedure coupled with the integral Lippmann-Schwinger equations technique is used in the formal theoretical basis of this approach. The reformulated scattering problem is suitable for application in the exterior complex scaling technique: the practical advantage is that after complex scaling, the problem is reduced to a boundary problem with zero boundary conditions. The Coulomb wave functions are used only at a single point; if this point is chosen to be at a sufficiently large distance, on using the asymptotic expansion of Coulomb functions, one may completely avoid the Coulomb functions in the calculations. The theoretical results are illustrated with numerical calculations for two models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Semianalytical formulations for the surface modes of photonic woodpiles

We have developed semianalytical methods that allow us to perform a comprehensive analysis of the surface modes of photonic woodpiles. The surface modes of both finite and semi-infinite woodpiles are characterized using transfer matrix and plane-wave matrix formulations, and, in the case of finite structures, we give a general analytical description of the ''double-interface'' modes, which propagate simultaneously along the top and bottom surfaces. We show that if the number of layers is even, then such modes will only exist for specific directions of the Brillouin zone. However, if the number of layers is odd, then every surface mode is a double-interface mode, and, in this case, the direction of propagation plays an important role in determining the coupling strength between the two surfaces: for certain directions, the coupling is negligible even when the number of layers is small. The dispersion curves of two different double-interface modes can anticross or be interwoven, depending on the symmetry of the modes. We also describe the conditions under which coupled surface modes will exist when two woodpiles are used to create a Fabry-Perot cavity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Dirac open-quantum-system dynamics: Formulations and simulations

In this work, we present an open-system interaction formalism for the Dirac equation. Overcoming a complexity bottleneck of alternative formulations, our framework enables efficient numerical simulations (utilizing a typical desktop) of relativistic dynamics within the von Neumann density matrix and Wigner phase-space descriptions. Employing these instruments, we gain important insights into the effect of quantum dephasing for relativistic systems in many branches of physics. In particular, the conditions for robustness of Majorana spinors against dephasing are established. Using the Klein paradox and tunneling as examples, we show that quantum dephasing does not suppress negative energy particle generation. Hence, the Klein dynamics is also robust to dephasing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

The n+n+{alpha} system in a continuum Faddeev formulation

The continuum Faddeev equations for the neutron-neutron-alpha (n+n+{alpha}) system are formulated for a general interaction as well as for finite rank forces. In addition, the capture process n+n+{alpha}{yields}{sup 6}He+{gamma} is derived.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Microscopic formulation of the interacting boson model for rotational nuclei

We propose a novel formulation of the interacting boson model (IBM) for rotational nuclei with axially symmetric, strong deformation. The intrinsic structure represented by the potential-energy surface (PES) of a given multinucleon system has a certain similarity to that of the corresponding multiboson system. Based on this feature, one can derive an appropriate boson Hamiltonian, as already reported. This prescription, however, has a major difficulty in the rotational spectra of strongly deformed nuclei: the bosonic moment of inertia is significantly smaller than the corresponding nucleonic one. We present that this difficulty originates in the difference between the rotational response of a nucleon system and that of the corresponding boson system, and could arise even if the PESs of the two systems were identical. We further suggest that the problem can be solved by implementing the L{center_dot}L term into the IBM Hamiltonian, with the coupling constant derived from the cranking approach of Skyrme mean-field models. The validity of the method is confirmed for rare-earth and actinoid nuclei, as their experimental rotational yrast bands are reproduced nicely.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Formulation of functional theory for pairing with particle number restoration

The restoration of particle number within energy density functional theory is analyzed. It is shown that the standard method based on configuration mixing leads to a functional of both the projected and nonprojected densities. As an alternative that might be advantageous for mass models, nuclear dynamics, and thermodynamics, we propose to formulate the functional in terms directly of the one-body and two-body density matrices of the state with good particle number. Our approach does not contain the pathologies recently observed when restoring the particle number in an energy density functional framework based on transition density matrices and can eventually be applied with functionals having arbitrary density dependencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Tensor network formulation of two-dimensional gravity

We show how to formulate a lattice gauge theory whose naive continuum limit corresponds to two-dimensional (Euclidean) quantum gravity including a positive cosmological constant. More precisely the resultant continuum theory corresponds to gravity in a first-order formalism in which the local frame and spin connection are treated as independent fields. Recasting this lattice theory as a tensor network allows us to study the theory at strong coupling without encountering a sign problem. In two dimensions this tensor network is exactly soluble and we show that the system has a series of critical points that occur for pure imaginary coupling and are associated with first order phase transitions. We then augment the action with a Yang-Mills term which allows us to control the lattice spacing and show how to apply the tensor renormalization group to compute the free energy and look for critical behavior. Finally we perform an analytic continuation in the gravity coupling in this extended model and show that its critical behavior in a certain scaling limit depends only on the topology of the underlying lattice. We also show how the lattice gauge theory can be naturally generalized to generate the Polyakov or Liouville action for two dimensional quantum gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Dissipative magnetohydrodynamics for nonresistive relativistic plasmas: An implicit second-order flux-conservative formulation with stiff relaxation

Based on a 14-moment closure for nonresistive (general-) relativistic viscous plasmas, here we describe a new numerical scheme that is able to handle all first-order dissipative effects (heat conduction, bulk and shear viscosities), as well the anisotropies induced by the presence of magnetic fields. The latter is parametrized in terms of a thermal gyrofrequency or, equivalently, a thermal Larmor radius and allows to correctly capture the thermal Hall effect. By solving an extended Israel-Stewart-like system for the dissipative quantities that enforces algebraic constraints via stiff-relaxation, we are able to cast all first-order dissipative terms in flux-divergence form. This allows us to apply traditional high-resolution shock capturing methods to the equations, making the system suitable for the numerical study of highly turbulent flows. We present several numerical tests to assess the robustness of our numerical scheme in flat spacetime. The 14-moment closure can seamlessly interpolate between the highly collisional limit found in neutron star mergers, and the highly anisotropic limit of relativistic Braginskii magnetohydrodynamics appropriate for weakly collisional plasmas in black-hole accretion problems. We believe that this new formulation and numerical scheme will be useful for a broad class of relativistic magnetized flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Renormalizability of the linearly broken formulation of the BRST symmetry in the presence of the Gribov horizon in Landau gauge Euclidean Yang-Mills theories

In previous work by M. A. L. Capri, A. J. Gomez, M. S. Guimaraes, V. E. R. Lemes, S. P. Sorella, and D. G. Tedesco [Phys. Rev. D 82, 105019 (2010)], we have shown that the soft breaking of the Becchi-Rouet-Stora-Tyutin (BRST) symmetry arising within the Gribov-Zwanziger framework can be converted into a linear breaking, while preserving the nilpotency of the BRST operator. Because of its compatibility with the quantum action principle, the linearly broken BRST symmetry directly translates into a set of Slavnov-Taylor identities. We show that these identities guarantee the multiplicative renormalizability of both Gribov-Zwanziger and refined Gribov-Zwanziger theories to all orders. The known property that only two renormalization factors are needed is recovered. The nonrenormalization theorem of the gluon-ghost-antighost vertex, as well as the renormalization factor of the Gribov parameter, are derived within the linearly broken formulation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Comparison of MPC Formulations for Building Control under Commercial Time-of-Use Tariffs

© 2019 IEEE. Most medium and large commercial buildings in the U.S. are subject to complex electricity tariffs that combine both Time-of-Use (TOU) energy and demand charges. This study analyses the performances of different economic Model Predictive Control (MPC) formulations, from the standpoints of monthly bill reduction, load shifting, and peak demand reduction. Simulations are performed on many simplified commercial building models, with multiple TOU demand charges, and under various summer conditions. Results show that compared to energy-only MPC, the traditional method for dealing with demand charges significantly reduces peak demand and owner bill, however, highlight a lack of load shifting capability. A proposed incremental approach is presented, which better balances the bill components in the objective function. In the case study presented, this method can improve monthly bill savings and increase load shifting during demand response events, while keeping a similarly low peak demand, compared to traditional MPC methods taking into account demand charges.

Cutsem, Olivier Van↗
DOE OSTI2025

Analysis of Screening Current Effects in a Hybrid Nb$_{3}$Sn/REBCO Superconducting Accelerator Magnet Using a T - A Formulation

To explore the feasibility of using high-temperature superconducting (HTS) REBCO coated conductors in future accelerator magnets, two REBCO flat racetrack coils were fabricated using 4-mm wide EuBCO tapes at the High Energy Accelerator Research Organization (KEK). These coils were tested as an insert inside a Nb$_{3}$Sn common-coil dipole magnet, which provides a background field of up to $\sim$ 9.5T, at the Brookhaven National Laboratory (BNL). REBCO tapes offer exceptionally high critical current density under strong magnetic fields; however, they also exhibit significant magnetization due to screening currents, leading to magnetic field errors. Here, this study presents a 2D finite element model of screening current-induced fields (SCIF) in REBCO coils using the T-A formulation, along with the results obtained. Simulations were then performed for two KEK test cases: one where the REBCO conductors were oriented with the HTS tapes parallel to the background field, and another where the tapes were perpendicular to it. Since screening currents also influence the stress distribution and increase the peak stress in the coils, the mechanical effects of these currents were analyzed. The implications of these simulation and test results for the design of Nb$_{3}$Sn/REBCO superconducting accelerator magnets are discussed.

Accelerator magnets↗
DOE OSTI2018

Optimal Water-Power Flow Problem: Formulation and Distributed Optimal Solution

This paper formalizes an optimal water-power flow (OWPF) problem to optimize the use of controllable assets across power and water systems while accounting for the couplings between the two infrastructures. Tanks and pumps are optimally managed to satisfy water demand while improving power grid operations; {for the power network, an AC optimal power flow formulation is augmented to accommodate the controllability of water pumps.} Unfortunately, the physics governing the operation of the two infrastructures and coupling constraints lead to a nonconvex (and, in fact, NP-hard) problem; however, after reformulating OWPF as a nonconvex, quadratically-constrained quadratic problem, a feasible point pursuit-successive convex approximation approach is used to identify feasible and optimal solutions. In addition, a distributed solver based on the alternating direction method of multipliers enables water and power operators to pursue individual objectives while respecting the couplings between the two networks. The merits of the proposed approach are demonstrated for the case of a distribution feeder coupled with a municipal water distribution network.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Market-Based Coordination of Thermostatically Controlled Loads—Part I: A Mechanism Design Formulation

This paper focuses on the coordination of a population of Thermostatically Controlled Loads (TCLs) with unknown parameters to achieve group objectives. The problem involves designing the bidding and market clearing strategy to motivate self-interested users to realize efficient energy allocation subject to a peak power constraint. Using the mechanism design approach, we propose a market-based coordination framework, which can effectively incorporate heterogeneous load dynamics, systematically deal with user preferences, account for the unknown load model parameters, and enable the real-world implementation with limited communication resources. This paper is divided into two parts. Part I presents a mathematical formulation of the problem and develops a coordination framework using the mechanism design approach. Part II presents a learning scheme to account for the unknown load model parameters, and evaluates the proposed framework through realistic simulations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2011

Nepheline Crystallization in Nuclear Waste Glasses: Progress toward acceptance of high-alumina formulations

We have critically compiled and analyzed historical data for investigating the quantity of nepheline (NaAlSiO4) precipitation as a function of composition in simulated nuclear waste glasses. To understand composition we used two primary methods: 1) investigating the Al2O3-SiO2-Na2O ternary with filtering for different B2O3 levels and 2) creating a quadrant system consisting of compositions reduced to two metric numbers. These metrics are 1) the nepheline discriminator (ND) which depends only on the SiO2 content by weight normalized to the total weight of the Al2O3-SiO2-Na2O sub-mixture and 2) the optical basicity (OB) which contains contributions from all constituents in the glass. Nepheline precipitation is expected to be suppressed at high SiO2 levels (ND >0.62) or at low basicities (OB <0.55 to 0.57). Changes in sodium aluminosilicate glass OB due to additions of CaO and B2O3 correlate with observed effects on nepheline formation. We propose that additional composition space is available for formulating high-waste-loading, high-Al¬2O3 nuclear waste glasses when Na2O levels are less than ~0.125 (normalized by weight on the Al2O3-SiO2-Na2O sub-mixture). However, this compositional space is considerably extended to higher Na2O levels when adding >5 wt% B2O3. The OB concept can help further refine regions of nepheline-free glass formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗