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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Deformed oscillator algebra approach of some quantum superintegrable Lissajous systems on the sphere and of their rational extensions

We extend the construction of 2D superintegrable Hamiltonians with separation of variables in spherical coordinates using combinations of shift, ladder, and supercharge operators to models involving rational extensions of the two-parameter Lissajous systems on the sphere. These new families of superintegrable systems with integrals of arbitrary order are connected with Jacobi exceptional orthogonal polynomials of type I (or II) and supersymmetric quantum mechanics. Moreover, we present an algebraic derivation of the degenerate energy spectrum for the one- and two-parameter Lissajous systems and the rationally extended models. These results are based on finitely generated polynomial algebras, Casimir operators, realizations as deformed oscillator algebras, and finite-dimensional unitary representations. Such results have only been established so far for 2D superintegrable systems separable in Cartesian coordinates, which are related to a class of polynomial algebras that display a simpler structure. We also point out how the structure function of these deformed oscillator algebras is directly related with the generalized Heisenberg algebras spanned by the nonpolynomial integrals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The free energy of the metastable supersaturated vapor via restricted ensemble simulations. III. An extension to the Corti and Debenedetti subcell constraint algorithm

In order to improve the sampling of restricted microstates in our previous work [C. Nie, J. Geng, and W. H. Marlow, J. Chem. Phys. 127, 154505 (2007); 128, 234310 (2008)] and quantitatively predict thermal properties of supersaturated vapors, an extension is made to the Corti and Debenedetti subcell constraint algorithm [D. S. Corti and P. Debenedetti, Chem. Eng. Sci. 49, 2717 (1994)], which restricts the maximum allowed local density at any point in a simulation box. The maximum allowed local density at a point in a simulation box is defined by the maximum number of particles N{sub m} allowed to appear inside a sphere of radius R, with this point as the center of the sphere. Both N{sub m} and R serve as extra thermodynamic variables for maintaining a certain degree of spatial homogeneity in a supersaturated system. In a restricted canonical ensemble, at a given temperature and an overall density, series of local minima on the Helmholtz free energy surface F(N{sub m}, R) are found subject to different (N{sub m}, R) pairs. The true equilibrium metastable state is identified through the analysis of the formation free energies of Stillinger clusters of various sizes obtained from these restricted states. The simulation results of a supersaturated Lennard-Jones vapor at reduced temperature 0.7 including the vapor pressure isotherm, formation free energies of critical nuclei, and chemical potential differences are presented and analyzed. In addition, with slight modifications, the current algorithm can be applied to computing thermal properties of superheated liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Connection between quantum systems involving the fourth Painlevé transcendent and k-step rational extensions of the harmonic oscillator related to Hermite exceptional orthogonal polynomial

The purpose of this communication is to point out the connection between a 1D quantum Hamiltonian involving the fourth Painlevé transcendent P{sub IV}, obtained in the context of second-order supersymmetric quantum mechanics and third-order ladder operators, with a hierarchy of families of quantum systems called k-step rational extensions of the harmonic oscillator and related with multi-indexed X{sub m{sub 1,m{sub 2,…,m{sub k}}}} Hermite exceptional orthogonal polynomials of type III. The connection between these exactly solvable models is established at the level of the equivalence of the Hamiltonians using rational solutions of the fourth Painlevé equation in terms of generalized Hermite and Okamoto polynomials. We also relate the different ladder operators obtained by various combinations of supersymmetric constructions involving Darboux-Crum and Krein-Adler supercharges, their zero modes and the corresponding energies. These results will demonstrate and clarify the relation observed for a particular case in previous papers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The PETRA III extension

The 3{sup rd} generation low-emittance 6 GeV PETRA III facility has been substantially modified to add new beamlines. This extension project involved the complete removal and reconstruction of part of the storage ring with a double-bend achromat lattice as well as the construction of two new experimental halls. Making use of two long straight sections and a canted undulator scheme in the rebuilt arcs, up to ten new insertion device beamlines can be accommodated. In the current phase of the project, seven insertion device and one bending magnet beamline are being implemented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Extension of the SIESTA MHD equilibrium code to free-plasma-boundary problems

Here, SIESTA is a recently developed MHD equilibrium code designed to perform fast and accurate calculations of ideal MHD equilibria for three-dimensional magnetic configurations. Since SIESTA does not assume closed magnetic surfaces, the solution can exhibit magnetic islands and stochastic regions. In its original implementation SIESTA addressed only fixed-boundary problems. That is, the shape of the plasma edge, assumed to be a magnetic surface, was kept fixed as the solution iteratively converges to equilibrium. This condition somewhat restricts the possible applications of SIESTA. In this paper we discuss an extension that will enable SIESTA to address free-plasma-boundary problems, opening up the possibility of investigating problems in which the plasma boundary is perturbed either externally or internally. As an illustration, SIESTA is applied to a configuration of the W7-X stellarator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Extension of the Hugoniot and analytical release model of α -quartz to 0.2–3 TPa

In recent years, α-quartz has been used prolifically as an impedance matching standard in shock wave experiments in the multi-Mbar regime (1 Mbar = 100 GPa = 0.1 TPa). This is due to the fact that above ~90–100 GPa along the principal Hugoniot α-quartz becomes reflective, and thus, shock velocities can be measured to high precision using velocity interferometry. The Hugoniot and release of α-quartz have been studied extensively, enabling the development of an analytical release model for use in impedance matching. However, this analytical release model has only been validated over a range of 300–1200 GPa (0.3–1.2 TPa). Furthermore, we extend this analytical model to 200–3000 GPa (0.2–3 TPa) through additional α-quartz Hugoniot and release measurements, as well as first-principles molecular dynamics calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Extension of the Einstein molecule method for solid free energy calculation to non-periodic and semi-periodic systems

Free energy calculations on solid phases are important for understanding the phase behavior of various systems. For periodic crystalline solids, the Einstein molecule approach can be used to determine the free energy difference between the solid of interest and an ideal crystal for which the free energy can be found analytically. In this work, we show how this method is extensible to systems which are nonperiodic or periodic in some dimensions but not in others. This allows for the calculation of exact absolute free energies of finite-sized crystals having specific shapes and surface geometries. We illustrate this using the fcc Lennard-Jones solid and also illustrate how surface contributions to free energies can easily be extracted from simulations of this solid in semi-infinite slab geometries. We have created a software package which interfaces with the LAMMPS molecular dynamics code to perform these calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Filament extension atomizers: A study of integration potential into spray dryers for high-viscosity and non-Newtonian fluids

Filament extension atomizers (FEAs) are an emerging class of spray nozzles designed to atomize high-viscosity and non-Newtonian fluids that are challenging for conventional pressure or two-fluid nozzles. In this study, we investigate the influence of roller geometry, surface velocity, roller material, and fluid rheology on the atomization performance of FEA systems using concentrated whey protein suspensions (50–70 wt. %). Extensional and shear rheology experiments, along with high-speed imaging and particle image velocimetry, reveal that filament breakup dynamics are governed by competition between inertial, capillary, and viscoelastic stresses. High roller rotational velocity leads to narrower spray cones, contradicting rheology experiments and suggests a significant inertial contribution to filament breakup. Smaller rollers operating at the same rotational velocity led to broader spray cones consistent with expectations. An FEA nozzle was integrated into a conventional dryer producing particles in the 100 μm range. Results suggest that FEA technology enables atomization of highly viscous fluids at industrially relevant spray cone angles similar to those generated by pressure nozzles, offering a pathway to improve energy efficiency in spray drying by enabling higher solids loading feedstocks. Furthermore, these insights provide critical guidance for optimizing FEA nozzle designs and process parameters across a range of applications.

Energy efficiency↗
DOE OSTI2024

The nonlinear mechanics of highly extensible plant epidermal cell walls

Plant epidermal cell walls maintain the mechanical integrity of plants and restrict organ growth. Mechanical analyses can give insights into wall structure and are inputs for mechanobiology models of plant growth. To better understand the intrinsic mechanics of epidermal cell walls and how they may accommodate large deformations during growth, we analyzed a geometrically simple material, onion epidermal strips consisting of only the outer (periclinal) cell wall, ~7 μm thick. With uniaxial stretching by >40%, the wall showed complex three-phase stress–strain responses while cyclic stretching revealed reversible and irreversible deformations and elastic hysteresis. Stretching at varying strain rates and temperatures indicated the wall behaved more like a network of flexible cellulose fibers capable of sliding than a viscoelastic composite with pectin viscosity. We developed an analytic framework to quantify nonlinear wall mechanics in terms of stiffness, deformation, and energy dissipation, finding that the wall stretches by combined elastic and plastic deformation without compromising its stiffness. We also analyzed mechanical changes in slightly dehydrated walls. Their extension became stiffer and more irreversible, highlighting the influence of water on cellulose stiffness and sliding. This study offers insights into the structure and deformation modes of primary cell walls and presents a framework that is also applicable to tissues and whole organs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

The Tiam1 guanine nucleotide exchange factor is auto-inhibited by its pleckstrin homology coiled-coil extension domain

T-cell lymphoma invasion and metastasis 1 (Tiam1) is a Dbl-family guanine nucleotide exchange factor (GEF) that specifically activates the Rho-family GTPase Rac1 in response to upstream signals, thereby regulating cellular processes including cell adhesion and migration. Tiam1 contains multiple domains, including an N-terminal pleckstrin homology coiled-coiled extension (PH n -CC-Ex) and catalytic Dbl homology and C-terminal pleckstrin homology (DH-PH c ) domain. Previous studies indicate that larger fragments of Tiam1, such as the region encompassing the N-terminal to C-terminal pleckstrin homology domains (PH n -PH c ), are auto-inhibited. However, the domains in this region responsible for inhibition remain unknown. Here, we show that the PH n -CC-Ex domain inhibits Tiam1 GEF activity by directly interacting with the catalytic DH-PH c domain, preventing Rac1 binding and activation. Enzyme kinetics experiments suggested that Tiam1 is auto-inhibited through occlusion of the catalytic site rather than by allostery. Small angle X-ray scattering and ensemble modeling yielded models of the PH n -PH c fragment that indicate it is in equilibrium between “open” and “closed” conformational states. Lastly, single-molecule experiments support a model in which conformational sampling between the open and closed states of Tiam1 contributes to Rac1 dissociation. Our results highlight the role of the PH n -CC-Ex domain in Tiam1 GEF regulation and suggest a combinatorial model for GEF inhibition and activation of the Rac1 signaling pathway.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Extension of the Advanced Test Reactor Operating Envelope Via Enhanced Reactor Physics Validation Techniques

The Korea Atomic Energy Research Institute is currently in the process of qualifying a low-enriched-uranium fuel element design for the new Ki-Jang Research Reactor (KJRR). As part of this effort, a prototype KJRR fuel element was irradiated in this paper for several operating cycles in the northeast flux trap of the Advanced Test Reactor (ATR) at the Idaho National Laboratory. The KJRR fuel element contained a very large quantity of fissile material (618 g 235 U) in comparison with historical ATR experiment standards (<1 g 235 U), and its presence in the ATR flux trap was expected to create a neutronic configuration that would be well outside of the approved validation envelope for the reactor physics analysis methods used to support ATR operations. Accordingly, it was necessary to conduct an extensive set of new low-power physics measurements in the ATR Critical Facility (ATRC), a companion facility to the ATR, located in an immediately adjacent building and sharing the same fuel storage canal. The new measurements included fission power distributions, reactivity, and measurements related to the calibration of the in-core online instrumentation. The effort was focused on the objective of expanding the validation envelope for the computational reactor physics tools used to support ATR operations and safety analysis to include the planned KJRR irradiation in the ATR and similar experiments that are anticipated in the future. The computational and experimental results have demonstrated that the neutronic behavior of the KJRR fuel element in the ATRC is well understood in terms of its general effects on ATRC core reactivity and fission power distributions and its effects on the calibration of the ATR Lobe Power Calculation and Indication System, as well as in terms of its own internal fission rate distribution and total fission power per unit ATRC core power. Finally, taken as a whole, these results have significantly extended the ATR physics validation envelope, thereby enabling an entire new class of irradiation experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

PWR Core Analysis for Cycle Extension and Uprates with LEU+ Accident Tolerant Fuel and 80 GWd/Tonne Burnup Limit

The U.S. Nuclear Regulatory Commission has recently drafted a rule enabling fuel burnup increase in light water reactors up to 80 GWd/t. In conjunction with use of fuel enrichment up to 10%, and accident tolerant fuel (ATF), this is anticipated to facilitate 24-month cycles in PWRs, along with further power uprates. In this paper, PWR core analysis is performed for 20% increased PWR power output along with cycle extension up to 24 months, in combination with use of chromia-doped fuel and chromium-coated clad, considered to be the most near-term ATF concepts. In combination, these lead to challenging conditions with a core average discharge burnup of up to ~74 GWd/t, challenging even the 80 GWd/t burnup limit. Analysis is performed using the 2-step method with POLARIS (within SCALE) used for the lattice calculations and PARCS for the core calculations. Core designs are first baselined for current operating conditions (LEU, 62 GWd/t discharge burnup limit) and then derived that meet cycle constraints on power distribution and the updated lead pin discharge burnup limit while maintaining at least two batches of fuel in the core. Gadolina loadings in fuel pins of up to 8% are used, with enrichment zoning both within the core and, to a limited extent, within assemblies. Here, doped fuel with coated cladding can utilize the same core designs as the reference UOX cores, exhibiting slightly lower burnup due to higher fuel density, which also offsets the slight reactivity penalty from the doping and coating. For the analysis performed here, doped fuel enabled a core with 24-month cycle and 20% uprate to stay within the 80 GWd/t lead pin discharge burnup limit.

LEU+↗
DOE OSTI2015

Cosmology in time asymmetric extensions of general relativity

We investigate the cosmological behavior in a universe governed by time asymmetric extensions of general relativity, which is a novel modified gravity based on the addition of new, time-asymmetric, terms on the Hamiltonian framework, in a way that the algebra of constraints and local physics remain unchanged. Nevertheless, at cosmological scales these new terms can have significant effects that can alter the universe evolution, both at early and late times, and the freedom in the choice of the involved modification function makes the scenario able to produce a huge class of cosmological behaviors. For basic ansatzes of modification, we perform a detailed dynamical analysis, extracting the stable late-time solutions. Amongst others, we find that the universe can result in dark-energy dominated, accelerating solutions, even in the absence of an explicit cosmological constant, in which the dark energy can be quintessence-like, phantom-like, or behave as an effective cosmological constant. Moreover, it can result to matter-domination, or to a Big Rip, or experience the sequence from matter to dark energy domination. Additionally, in the case of closed curvature, the universe may experience a cosmological bounce or turnaround, or even cyclic behavior. Finally, these scenarios can easily satisfy the observational and phenomenological requirements. Hence, time asymmetric cosmology can be a good candidate for the description of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Baryogenesis in the two doublet and inert singlet extension of the Standard Model

We investigate an extension of the Standard Model containing two Higgs doublets and a singlet scalar field (2HDSM). We show that the model can have a strongly first-order phase transition and give rise to the observed baryon asymmetry of the Universe, consistent with all experimental constraints. In particular, the constraints from the electron and neutron electric dipole moments are less constraining here than in pure two-Higgs-doublet model (2HDM). The two-step, first-order transition in 2HDSM, induced by the singlet field, may lead to strong supercooling and low nucleation temperatures in comparison with the critical temperature, T{sub n}≪T{sub c}, which can significantly alter the usual phase-transition pattern in 2HD models with T{sub n}≈T{sub c}. Furthermore, the singlet field can be the dark matter particle. However, in models with a strong first-order transition its abundance is typically but a thousandth of the observed dark matter abundance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Extension of the energetic particle transport kick model in TRANSP to multiple fast ion species

Abstract Alfvénic instabilities (AEs) are well known to cause enhanced transport of energetic particles (EPs) in fusion devices. Most studies until now have focused on characterizing and understanding AE stability in single-species plasmas heated by neutral beams (NB), where deuterium is typically used as both main plasma species and NB fuel. As the fusion community moves toward fusion reactors that target burning plasma conditions, such as ITER, the single-species picture breaks down. Burning plasmas, which will use a mix of deuterium and tritium (DT) as main fuel, also feature the presence of several supra-thermal fusion products such as alpha particles, protons, helium isotopes and high-energy tritium ions. This work presents the extension of the EP transport kick model implemented in the TRANSP time-dependent tokamak transport code to study the combined effect of multiple EP species on AE stability and, in turn, the response of different EP species to plasma instabilities in terms of their redistribution and losses. Further validation of the enhanced model is planned based on experimental results expected from the JET DT campaign scheduled for 2021, in preparation for ITER plasmas and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

The track-length extension fitting algorithm for energy measurement of interacting particles in liquid argon TPCs and its performance with ProtoDUNE-SP data

This paper introduces a novel track-length extension fitting algorithm for measuring the kinetic energies of inelastically interacting particles in liquid argon time projection chambers (LArTPCs). The algorithm finds the most probable offset in track length for a track-like object by comparing the measured ionization density as a function of position with a theoretical prediction of the energy loss as a function of the energy, including models of electron recombination and detector response. The algorithm can be used to measure the energies of particles that interact before they stop, such as charged pions that are absorbed by argon nuclei. The algorithm's energy measurement resolutions and fractional biases are presented as functions of particle kinetic energy and number of track hits using samples of stopping secondary charged pions in data collected by the ProtoDUNE-SP detector, and also in a detailed simulation. Additional studies describe the impact of the dE/dx model on energy measurement performance. The method described in this paper to characterize the energy measurement performance can be repeated in any LArTPC experiment using stopping secondary charged pions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

A POSSIBLE EXTENSION OF THE SCUTUM-CENTAURUS ARM INTO THE OUTER SECOND QUADRANT

Combining H I data from the Canadian Galactic Plane Survey and CO data from the Milky Way Imaging Scroll Painting project, we have identified a new segment of a spiral arm between Galactocentric radii of 15 and 19 kpc that apparently lies beyond the Outer Arm in the second Galactic quadrant. Over most of its length, the arm is 400-600 pc thick in z. The new arm appears to be the extension of the distant arm recently discovered by Dame and Thaddeus as well as the Scutum-Centaurus Arm into the outer second quadrant. Our current survey identified a total of 72 molecular clouds with masses on the order of 10{sup 2}-10{sup 4} M {sub ☉} that probably lie in the new arm. When all of the available data from the CO molecular clouds are fit, the best-fitting spiral model gives a pitch angle of 9.°3 ± 0.°7.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

FQC Dashboard: integrates FastQC results into a web-based, interactive, and extensible FASTQ quality control tool

Abstract Summary FQC is software that facilitates quality control of FASTQ files by carrying out a QC protocol using FastQC, parsing results, and aggregating quality metrics into an interactive dashboard designed to richly summarize individual sequencing runs. The dashboard groups samples in dropdowns for navigation among the data sets, utilizes human-readable configuration files to manipulate the pages and tabs, and is extensible with CSV data. Availability and implementation FQC is implemented in Python 3 and Javascript, and is maintained under an MIT license. Documentation and source code is available at: https://github.com/pnnl/fqc.

59 BASIC BIOLOGICAL SCIENCES↗