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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

SU-D-19A-04: Parameter Characterization of Electron Beam Monte Carlo Phase Space of TrueBeam Linacs

Purpose: For TrueBeam Monte Carlo simulations, Varian does not distribute linac head geometry and material compositions, instead providing a phase space file (PSF) for the users. The PSF has a finite number of particle histories and can have very large file size, yet still contains inherent statistical noises. The purpose of this study is to characterize the electron beam PSF with parameters. Methods: The PSF is a snapshot of all particles' information at a given plane above jaws including type, energy, position, and directions. This study utilized a preliminary TrueBeam PSF, of which validation against measurement is presented in another study. To characterize the PSF, distributions of energy, position, and direction of all particles are analyzed as piece-wise parameterized functions of radius and polar angle. Subsequently, a pseudo PSF was generated based on this characterization. Validation was assessed by directly comparing the true and pseudo PSFs, and by using both PSFs in the down-stream MC simulations (BEAMnrc/DOSXYZnrc) and comparing dose distributions for 3 applicators at 15 MeV. Statistical uncertainty of 4% was limited by the number of histories in the original PSF. Percent depth dose (PDD) and orthogonal (PRF) profiles at various depths were evaluated. Results: Preliminary results showed that this PSF parameterization was accurate, with no visible differences between original and pseudo PSFs except at the edge (6 cm off axis), which did not impact dose distributions in phantom. PDD differences were within 1 mm for R{sub 7} {sub 0}, R{sub 5} {sub 0}, R{sub 3} {sub 0}, and R{sub 1} {sub 0}, and PRF field size and penumbras were within 2 mm. Conclusion: A PSF can be successfully characterized by distributions for energy, position, and direction as parameterized functions of radius and polar angles; this facilitates generating sufficient particles at any statistical precision. Analyses for all other electron energies are under way and results will be included in the presentation.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1992

Long Duration Exposure Facility (LDEF) attitude measurements of the interplanetary dust experiment

The Long Duration Exposure Facility (LDEF) Interplanetary Dust Experiment (IDE) was unique in providing a time history of impacts of micron-sized particles on six orthogonal faces of LDEF during the first year in orbit. The value of this time resolved data depended on and was enhanced by the proper operation of some basic LDEF systems. Thus, the value of the data is greatly enhanced when the location and orientation of LDEF is known for each time of impact. The location and velocity of LDEF as a function of time can be calculated from the 'two-line elements' published by GSFC during the first year of the LDEF mission. The attitude of LDEF was passively stabilized in a gravity-gradient mode and a magnetically anchored viscous damper was used to dissipate roll, pitch, and yaw motions. Finally, the IDE used a standard LDEF Experiment Power and Data System (EPDS) to collect and store data and also to provide a crystal derived clock pulse (1 count every 13.1072 seconds) for all IDE time measurements. All that remained for the IDE was to provide a system to calibrate the clock, eliminating accumulative errors, and also verify the attitude of LDEF. The IDE used solar cells on six orthogonal faces to observe the LDEF sunrise and provide data about the LDEF attitude. The data was recorded by the EPDS about 10 times per day for the first 345 days of the LDEF mission. This data consist of the number of IDE counts since the last LDEF sunrise and the status of the six solar cells (light or dark) at the time of the last IDE count. The EPDS determined the time that data was recorded and includes, with each record, the master EPDS clock counter (1 count every 1.6384 seconds) that provided the range and resolution for time measurements. The IDE solar cells provided data for an excellent clock calibration, meeting their primary purpose, and the time resolved LDEF attitude measurements that can be gleaned from this data are presented.

Kassel, Philip C., Jr.↗
DOE OSTI2014

Effect of phase transition on quantum transport in group-IV two-dimensional U-shape device

The effect of phase-transition from the quantum-spin-hall to the band-insulator phase on the transport through a three-terminal U-shape spin-separator has been computationally investigated via non-equilibrium green function formalism. Two-dimensional group-IV elements have been comprehensively appraised as the device material. The device separates the unpolarized current injected at the source-terminal into nearly 100% spin-polarized currents of the opposite polarities at the two drain terminals. The phase-transition activated by the electric-field orthogonal to the device is shown to extensively influence the current magnitude and its spin-polarization, and the effect is stronger for materials with smaller intrinsic spin-orbit coupling. Moreover, the device length and the area under field are shown to critically affect the device characteristics on phase change. It is shown that the same device can be operated as a spin-filter by inducing phase-transition selectively in the channel. The results are important for designing spin-devices from Group-IV monolayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

The relative variational model - A topological view of matter and its properties: Space occupancy by the atoms

Formal definitions of convergence, connected-ness and continuity were established to characterize and describe the crystalline solid and its properties as a unified notion in the topological space. In this unified notion, physical and material properties are modeled by means of an intrinsic and invariable form function: the Relative Variational Model. The crystalline solid is assumed an empty space that has been filled with atoms and phonons, i.e., the crystal is built with packages of matter and energy in a regular and orderly repetitive pattern along three orthogonal dimensions of the space. The spatial occupation of the atom in the crystalline structure is determined by its mean vibrational volume, which also defines the lattice parameter or interatomic distance. However, as packages of vibrational energy, phonons can only exist as vibrations of atoms. Any variation of internal energy is in fact the discretized variations of phonon's population. These variations occur in the quantized modes of vibration, and therefore the balance between the frequency and amplitude of vibrations also is a dynamic variable. In this paper, the Relative Variational Model was applied to de-convolutions of frequency spectra of the inelastic neutron scatterings. Some dynamic aspects of atom vibration were presented and evaluated in support to the model's fundamentals. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2023

Identification of 2-Hydroxyacyl-CoA Synthases with High Acyloin Condensation Activity for Orthogonal One-Carbon Bioconversion

One-carbon (C1) compounds are emerging as cost-effective and potentially carbon-negative feedstocks for biomanufacturing, which require efficient, versatile metabolic platforms for the synthesis of value-added products. Synthetic formyl-CoA elongation (FORCE) pathways allow diverse product synthesis from C1 compounds via iterative C1 elongation, operating independently from the host metabolism with reduced engineering complexity and improved theoretical yields. However, a major bottleneck was identified as the suboptimal kinetics of the core C1–C1 condensation enzyme, 2-hydroxyacyl-CoA synthase (HACS), catalyzing the acyloin condensation reaction between formaldehyde and formyl-CoA. Furthermore, we used a combinatorial approach of bioprospecting and rational protein engineering to identify multiple HACS variants with significantly improved activities toward C1 substrates. Sequence and structure alignment of the active variants elucidated the key regions for the catalytic function, which were targeted for mutagenesis, leading to improved catalytic efficiency. In parallel, a consecutive round of bioprospecting for homologs with high similarity with active variants revealed a highly active HACS variant exhibiting up to 7-fold improvement in catalytic efficiency (k cat /K M ) and 14-fold improvement in the FORCE pathway flux in vivo compared to the previous reports. Upon further optimization of the downstream pathway, the orthogonal C1-to-product bioconversion system showed a metabolic flux of up to 700 μM glycolate OD –1 h –1 (2.1 mmol gDCW –1 h –1 ) and an industrially relevant glycolate titer, rate, and yield of 5.2 g L –1 (67.8 mM), 0.22 g L –1 h –1 , and 94% carbon yield, respectively.

2-hydroxyacyl-CoA synthase↗
DOE OSTI2015

Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase

The polyketide natural product borrelidin displays antibacterial, antifungal, antimalarial, anticancer, insecticidal and herbicidal activities through the selective inhibition of threonyl-tRNA synthetase (ThrRS). How borrelidin simultaneously attenuates bacterial growth and suppresses a variety of infections in plants and animals is not known. Here we show, using X-ray crystal structures and functional analyses, that a single molecule of borrelidin simultaneously occupies four distinct subsites within the catalytic domain of bacterial and human ThrRSs. These include the three substrate-binding sites for amino acid, ATP and tRNA associated with aminoacylation, and a fourth ‘orthogonal’ subsite created as a consequence of binding. Thus, borrelidin competes with all three aminoacylation substrates, providing a potent and redundant mechanism to inhibit ThrRS during protein synthesis. These results highlight a surprising natural design to achieve the quadrivalent inhibition of translation through a highly conserved family of enzymes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Hourglass-type bulk Ni 3 d band and Ce 4 f Kondo resonance states in the potential topological Kondo semimetal CeNiSn via angle-resolved photoemission spectroscopy

The electronic structure of CeNiSn, which is a potential topological Kondo insulator and a Dirac nodal-loop semimetal, has been investigated by employing temperature (T) dependent angle-resolved photoemission spectroscopy (ARPES). The Fermi surfaces (FSs) and the band structures of CeNiSn for three orthogonal crystallographic planes are measured, in which both the very dispersive bands and the flat bands are observed, having mainly the Ni 3d character and the Ce 4f character, respectively. The measured FSs and ARPES bands agree reasonably well with the density functional theory (DFT) calculations. The Fermi-edge (E F ) photon energy (hν) map along k b (=k (010) ) shows that the metallic E F -crossing states on the (010) surface have the three-dimensional character, suggesting that the observed E F -crossing metallic states do not correspond to the topological surface states of the two-dimensional character. On the other hand, albeit weak, the features of the hourglass-type bulk band crossings are observed along SXS, with the energies and the slopes being similar to those predicted by the DFT calculations, supporting the Dirac semimetallic nature of CeNiSn. In T-dependent ARPES, the Ce 4f Kondo resonance states are clearly revealed at low T, which become much suppressed above ~80 K. This feature is consistent with the Kondo temperature of CeNiSn, estimated from its ρ(T) data. This work demonstrates the importance of the coherent Kondo states in determining the topological properties of CeNiSn.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Interactive contour delineation of organs at risk in radiotherapy: Clinical evaluation on NSCLC patients

Purpose: Accurate delineation of organs at risk (OARs) on computed tomography (CT) image is required for radiation treatment planning (RTP). Manual delineation of OARs being time consuming and prone to high interobserver variability, many (semi-) automatic methods have been proposed. However, most of them are specific to a particular OAR. Here, an interactive computer-assisted system able to segment various OARs required for thoracic radiation therapy is introduced. Methods: Segmentation information (foreground and background seeds) is interactively added by the user in any of the three main orthogonal views of the CT volume and is subsequently propagated within the whole volume. The proposed method is based on the combination of watershed transformation and graph-cuts algorithm, which is used as a powerful optimization technique to minimize the energy function. The OARs considered for thoracic radiation therapy are the lungs, spinal cord, trachea, proximal bronchus tree, heart, and esophagus. The method was evaluated on multivendor CT datasets of 30 patients. Two radiation oncologists participated in the study and manual delineations from the original RTP were used as ground truth for evaluation. Results: Delineation of the OARs obtained with the minimally interactive approach was approved to be usable for RTP in nearly 90% of the cases, excluding the esophagus, which segmentation was mostly rejected, thus leading to a gain of time ranging from 50% to 80% in RTP. Considering exclusively accepted cases, overall OARs, a Dice similarity coefficient higher than 0.7 and a Hausdorff distance below 10 mm with respect to the ground truth were achieved. In addition, the interobserver analysis did not highlight any statistically significant difference, at the exception of the segmentation of the heart, in terms of Hausdorff distance and volume difference. Conclusions: An interactive, accurate, fast, and easy-to-use computer-assisted system able to segment various OARs required for thoracic radiation therapy has been presented and clinically evaluated. The introduction of the proposed system in clinical routine may offer valuable new option to radiation oncologists in performing RTP.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1983

Engineering calculations for communications satellite systems planning

Progress is reported on a computer code to improve the efficiency of spectrum and orbit utilization for the Broadcasting Satellite Service in the 12 GHz band for Region 2. It implements a constrained gradient search procedure using an exponential objective function based on aggregate signal to noise ratio and an extended line search in the gradient direction. The procedure is tested against a manually generated initial scenario and appears to work satisfactorily. In this test it was assumed that alternate channels use orthogonal polarizations at any one satellite location.

Martin, C. H.↗
NASA NTRS1992

A multiresolution wavelet representation in two or more dimensions

In the multiresolution approximation, a signal is examined on a hierarchy of resolution scales by projection onto sets of smoothing functions. Wavelets are used to carry the detail information connecting adjacent sets in the resolution hierarchy. An algorithm has been implemented to perform a multiresolution decomposition in n greater than or equal to 2 dimensions based on wavelets generated from products of 1-D wavelets and smoothing functions. The functions are chosen so that an n-D wavelet may be associated with a single resolution scale and orientation. The algorithm enables complete reconstruction of a high resolution signal from decomposition coefficients. The signal may be oversampled to accommodate non-orthogonal wavelet systems, or to provide approximate translational invariance in the decomposition arrays.

Bromley, B. C.↗
NASA NTRS1997

Improvements in Block-Krylov Ritz Vectors and the Boundary Flexibility Method of Component Synthesis

A method of dynamic substructuring is presented which utilizes a set of static Ritz vectors as a replacement for normal eigenvectors in component mode synthesis. This set of Ritz vectors is generated in a recurrence relationship, proposed by Wilson, which has the form of a block-Krylov subspace. The initial seed to the recurrence algorithm is based upon the boundary flexibility vectors of the component. Improvements have been made in the formulation of the initial seed to the Krylov sequence, through the use of block-filtering. A method to shift the Krylov sequence to create Ritz vectors that will represent the dynamic behavior of the component at target frequencies, the target frequency being determined by the applied forcing functions, has been developed. A method to terminate the Krylov sequence has also been developed. Various orthonormalization schemes have been developed and evaluated, including the Cholesky/QR method. Several auxiliary theorems and proofs which illustrate issues in component mode synthesis and loss of orthogonality in the Krylov sequence have also been presented. The resulting methodology is applicable to both fixed and free- interface boundary components, and results in a general component model appropriate for any type of dynamic analysis. The accuracy is found to be comparable to that of component synthesis based upon normal modes, using fewer generalized coordinates. In addition, the block-Krylov recurrence algorithm is a series of static solutions and so requires significantly less computation than solving the normal eigenspace problem. The requirement for less vectors to form the component, coupled with the lower computational expense of calculating these Ritz vectors, combine to create a method more efficient than traditional component mode synthesis.

Carney, Kelly Scott↗
DOE OSTI2021

Enabling Long-range Exploration in Minimization of Multimodal Functions

We consider the problem of minimizing multi-modal loss functions with a large number of local optima. Since the local gradient points to the direction of the steepest slope in an infinitesimal neighborhood, an optimizer guided by the local gradient is often trapped in a local minimum. To address this issue, we develop a novel nonlocal gradient to skip small local minima by capturing major structures of the loss’s landscape in black-box optimization. The nonlocal gradient is defined by a directional Gaussian smoothing (DGS) approach. The key idea of DGS is to conducts 1D long-range exploration with a large smoothing radius along d orthogonal directions in Rd, each of which defines a nonlocal directional derivative as a 1D integral. Such long-range exploration enables the nonlocal gradient to skip small local minima. The d directional derivatives are then assembled to form the nonlocal gradient. We use the Gauss-Hermite quadrature rule to approximate the d 1D integrals to obtain an accurate estimator. The superior performance of our method is demonstrated in three sets of examples, including benchmark functions for global optimization, and two real-world scientific problems.

Zhang, Jiaxin↗
DOE OSTI2017

Correspondence: Phantom phonon localization in relaxors

Manley et al. report the observation of an unexpected, weak, phonon mode located in energy between that of the transverse acoustic (TA) and soft transverse optic (TO) modes in the relaxor ferroelectric Pb[(Mg 1/3 Nb 2/3 ) 1-x Ti x ]O 3 (PMN-xPT) with Ti content x = 0.30. Referred to as the local mode (LM), the energy of this extra mode varies little with wave vector in the cubic (paraelectric) phase, and this was interpreted as evidence of phonon localization. Any excitation that is localized in space must be extended in reciprocal space Q. To confirm this property, we performed a standard test on a PMN-xPT single crystal of nominally identical composition. This was done by comparing the rates at which the Bragg, TA phonon, and LM neutron scattering cross-sections decrease as the cubic crystallographic [100] axis is tilted out of the horizontal scattering plane by rotating about the orthogonal [010] axis. We find that the LM cross section varies with tilt in a manner identical to that of the Bragg peak. A local mode with short-range spatial correlations that decay exponentially will exhibit a broad Lorentzian peak as a function of tilt. Instead, we observe a narrow Gaussian peak. We conclude that the LM is not a real mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

An Angular Method with Position Control for Block Mesh Squareness Improvement

We optimize a target function de ned by angular properties with a position control term for a basic stencil with a block-structured mesh, to improve element squareness in 2D and 3D. Comparison with the condition number method shows that besides a similar mesh quality regarding orthogonality can be achieved as the former does, the new method converges faster and provides a more uniform global mesh spacing in our numerical tests.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

System Identification and Uncertainty Quantification Using Orthogonal Excitations and the Semi-span Super Sonic Transport (S4T) Model

Orthogonal harmonic multisine excitations were utilized in a wind tunnel test and in simulation of the SemiSpan Supersonic Transport model to assess aeroservoelastic characteristics. Fundamental issues associated with analyzing sinusoidal signals were examined, including spectral leakage, excitation truncation, and uncertainties on frequency response functions and mean-square coherence. Simulation allowed for evaluation of these issues relative to a truth model, while wind tunnel data introduced real-world implementation issues.

Heeg, Jennifer↗
DOE OSTI2014

Distributions of off-diagonal scattering matrix elements: Exact results

Scattering is a ubiquitous phenomenon which is observed in a variety of physical systems which span a wide range of length scales. The scattering matrix is the key quantity which provides a complete description of the scattering process. The universal features of scattering in chaotic systems is most generally modeled by the Heidelberg approach which introduces stochasticity to the scattering matrix at the level of the Hamiltonian describing the scattering center. The statistics of the scattering matrix is obtained by averaging over the ensemble of random Hamiltonians of appropriate symmetry. We derive exact results for the distributions of the real and imaginary parts of the off-diagonal scattering matrix elements applicable to orthogonally-invariant and unitarily-invariant Hamiltonians, thereby solving a long standing problem. -- Highlights: •Scattering problem in complex or chaotic systems. •Heidelberg approach to model the chaotic nature of the scattering center. •A novel route to the nonlinear sigma model based on the characteristic function. •Exact results for the distributions of off-diagonal scattering-matrix elements. •Universal aspects of the scattering-matrix fluctuations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Single-state selection system for hydrogen masers

The design and operation of a single-state selection system based on the adiabatic fast-passage technique for atomic state inversion is described. The system uses a variable-pitch dc solenoid and orthogonal four-wire RF coil to create the state-changing magnetic fields, and a half-wavelength state selection magnet to remove the inverted state atoms from the hydrogen beam. The system's performance was determined by measuring maser power as a function of line Q. The system removes more than 85 percent of undesired atoms from the beam. The potential effects of improvements in the maser on its frequency stability have been calculated. The use of single-state selection combined with increased RF coupling to the cavity and increased storage bulb collimation offers the possibility of frequency stability in the 10 to the -17th regime over intervals on the order of 60,000 s.

Mattison, Edward M.↗
NASA NTRS2006

Star Tracker Based ATP System Conceptual Design and Pointing Accuracy Estimation

A star tracker based beaconless (a.k.a. non-cooperative beacon) acquisition, tracking and pointing concept for precisely pointing an optical communication beam is presented as an innovative approach to extend the range of high bandwidth (> 100 Mbps) deep space optical communication links throughout the solar system and to remove the need for a ground based high power laser as a beacon source. The basic approach for executing the ATP functions involves the use of stars as the reference sources from which the attitude knowledge is obtained and combined with high bandwidth gyroscopes for propagating the pointing knowledge to the beam pointing mechanism. Details of the conceptual design are presented including selection of an orthogonal telescope configuration and the introduction of an optical metering scheme to reduce misalignment error. Also, estimates are presented that demonstrate that aiming of the communications beam to the Earth based receive terminal can be achieved with a total system pointing accuracy of better than 850 nanoradians (3 sigma) from anywhere in the solar system.

star tracker↗