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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Positron orbit effects during injection and confinement in a magnetic dipole trap

Lossless injection of positrons into a magnetic dipole trap and their subsequent confinement have been demonstrated. Here, we investigate by numerical single-particle simulations how the radial distribution of positrons in the trap is affected by the measurement itself, the choice of injection parameters, the asymmetry of the electric potential, and by elastic collisions. The results are compared to experimental data. A comprehensive understanding of these effects is a milestone on the road to creating an electron–positron plasma in a trap with a levitating superconducting coil.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients

We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed to reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Exploring genetic diversity, population structure, and subgenome differences in the allopolyploid Camelina sativa : implications for future breeding and research studies

Abstract Camelina (Camelina sativa), an allohexaploid species, is an emerging aviation biofuel crop that has been the focus of resurgent interest in recent decades. To guide future breeding and crop improvement efforts, the community requires a deeper comprehension of subgenome dominance, often noted in allopolyploid species, “alongside an understanding of the genetic diversity” and population structure of material present within breeding programs. We conducted population genetic analyses of a C. sativa diversity panel, leveraging a new genome, to estimate nucleotide diversity and population structure, and analyzed for patterns of subgenome expression dominance among different organs. Our analyses confirm that C. sativa has relatively low genetic diversity and show that the SG3 subgenome has substantially lower genetic diversity compared to the other two subgenomes. Despite the low genetic diversity, our analyses identified 13 distinct subpopulations including two distinct wild populations and others putatively representing founders in existing breeding populations. When analyzing for subgenome composition of long non-coding RNAs, which are known to play important roles in (a)biotic stress tolerance, we found that the SG3 subgenome contained significantly more lincRNAs compared to other subgenomes. Similarly, transcriptome analyses revealed that expression dominance of SG3 is not as strong as previously reported and may not be universal across all organ types. From a global analysis, SG3 “was only significant higher expressed” in flower, flower bud, and fruit organs, which is an important discovery given that the crop yield is associated with these organs. Collectively, these results will be valuable for guiding future breeding efforts in camelina.

Agriculture↗
DOE OSTI2022

Numerical fluid dynamics for FRG flow equations: Zero-dimensional QFTs as numerical test cases. II. Entropy production and irreversibility of RG flows

Herein we demonstrate that the reformulation of renormalization group (RG) flow equations as nonlinear heat equations has severe implications on the understanding of RG flows in general. We demonstrate by explicitly constructing an entropy function for a zero-dimensional Z 2 -symmetric model that the dissipative character of generic nonlinear diffusion equations is also hard-coded in the functional RG equation. This renders RG flows manifestly irreversible, revealing the semigroup property of RG transformations on the level of the flow equation itself. Additionally, we argue that the dissipative character of RG flows, its irreversibility and the entropy production during the RG flow may be linked to the existence of a so-called C– / A-function. In total, this introduces an asymmetry in the so-called RG time—in complete analogy to the thermodynamic arrow of time—and allows for an interpretation of infrared actions as equilibrium solutions of dissipative RG flows equations. The impossibility of resolving microphysics from macrophysics is evident in this framework. Furthermore, we directly link the irreversibility and the entropy production in RG flows to an explicit numerical entropy production, which is manifest in diffusive and non-linear partial differential equations (PDEs) and a standard mathematical tool for the analysis of PDEs. Using exactly solvable zero-dimensional Z 2 -symmetric models, we explicitly compute the (numerical) entropy production related to the total variation nonincreasing property of the PDE during RG flows toward the infrared limit. Finally, we discuss generalizations of our findings and relations to the C– / A-theorem as well as how our work may help to construct truncations of RG flow equations in the future, including numerically stable schemes for solving the corresponding PDEs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

ForTrilinos

'ForTrilinos' is related to The Trilinos Project, which contains a large and growing collection of solver capabilities that can utilize next-generation platforms, in particular scalable multicore, manycore, accelerator and heterogeneous systems. Trilinos is primarily written in C++, including its user interfaces. While C++ is advantageous for gaining access to the latest programming environments, it limits Trilinos usage via Fortran. Sever ad hoc translation interfaces exist to enable Fortran usage of Trilinos, but none of these interfaces is general-purpose or written for reusable and sustainable external use. 'ForTrilinos' provides a seamless pathway for large and complex Fortran-based codes to access Trilinos without C/C++ interface code. This access includes Fortran versions of Kokkos abstractions for code execution and data management.

ECP↗
DOE OSTI2018

SPALLOOP

Boiler tubes in steam power plants experience tube blockages due to exfoliation of oxide grown on the inner side of the tubes. In extreme cases, significant tube blockages can lead to forced power plant outages. It is thus desired to predict through modeling the amount of tube blockage in order to inform power plant operators of possible forced outages. SpalLoop solves for the stress-strain equations in an axisymmetric geometry, tracking the stress/strain evolution during boiler operation including outages for the entire boiler tube length. At each operational outage, i.e., temperature excursions down to room temperature, the amount of exfoliated area for the entire tube loop is estimated the amount of tube blockage is predicted based assumed blockage geometry and site. The SpaLLoop code contains modules developed for oxide growth, stress analysis, tube loop geometry, blockage area by taking into account the following phenomena and features, (a) Plant operation schedule with periodic alternate full-load and partial-load regimes and shut-downs, i.e., temperature excursions from high-load to room temperature, (b) axisymmetric formulation for cylindrical tubes, (c) oxide growth in a temperature gradient with multiple oxide layers, (d) geometry of a boiler tube with a single tube loop or two tube loops, (e) temperature variation along the tube length based on hot gas temperature distribution outside the tube and inlet steam temperature, (f) non-uniform oxide growth along the tube length according to the local steam tube temperature, (g) exfoliated area module: at each operational outage considered, the amount of exfoliated area and exfoliated volume along the tube is estimated, (h) blockage module: at each operational outage considered, the exfoliated volume/mass for each tube loop is estimated from which the amount of tube blockage is predicted based on given blockage geometry (length, location, and geometry). The computer program is written in FORTRAN90. Its modular structure was sought for allowing the best flexibility in updating the program by implementing new constitutive equations due to availability of new material property data and/or new physical phenomena.

Sabau, Adrian↗
DOE OSTI2023

cyquandyn

CyQuanDyn is a collection of codes developed for modelling the phonon-induced carrier pumping in ZrTe5 system. Codes in the collection include 1) TLS: time-dependent two-orbital spinless fermion Bogoliubov-de Gennes Hamiltonian simulation, 2) TDSE: ab initio time-dependent Schrödinger equation simulation of the ZrTe5 system under the periodic modulation of A1g Raman mode. Associated publication is T. Jiang, P. P. Orth, L. Luo, L.-L. Wang, F. Zhang, C.-Z. Wang, J. Zhao, K.-M. Ho, J. Wang, and Y.-X. Yao, Ab-Initio Simulations of Coherent Phonon-Induced Pumping of Carriers in ZrTe5. [arXiv:2304.08449 (2023).](https://arxiv.org/abs/2304.08449)

Yao, Yongxin↗
DOE OSTI2024

Bringing randomized algorithms to mainstream numerical linear algebra

Numerical linear algebra (NLA) underpins huge swaths of computational science and engineering. For scientists and engineers to make the most of the DOE’s computing resources, it is essential that they have access to high-performance implementations of algorithms with best-in-class scalability and reliability. Despite this, prevailing NLA libraries have little to no support for breakthrough algorithms from the field of randomized numerical linear algebra (RandNLA) that have been developed over the past twenty years. The goal of this LDRD was to break a log-jam that had prevented broad adoption of RandNLA. Our work had two thrusts. The first was to develop RandBLAS: a trustworthy and high-performance C++ library for randomized dimension reduction (an operation widely known as sketching). The second was the development of a novel randomized algorithm for computing a challenging type of matrix decomposition known as Householder QR with column pivoting (Householder QRCP). In this one-year late-start LDRD we successfully delivered RandBLAS 1.0 and new CPU and GPU codes for Householder QRCP. RandBLAS has extensive documentation at https://randblas.readthedocs.io/en/stable/. Papers on RandBLAS and and our high-performance QRCP codes are forthcoming.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Measurement and calibration of non-linear shear terms in galaxy cluster fields

Introduction Galaxy cluster lensing is a powerful tool for measuring the mass of galaxy clusters, but accurate shear measurement and calibration are critical to obtaining reliable results. This study focuses on the measurement and calibration of weak lensing shears to improve mass estimates in cluster lensing. To deal with the problem, we first developed an image simulation pipeline, jedisim, which utilizes galaxy images extracted from the Hubble Space Telescope (HST) Ultra Deep Field (UDF) and the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey (CANDELS). Methods The simulations represent realistic galaxy distributions and morphologies as input sources. The foreground halo with a Navarro–Frenk–White (NFW) profile is constructed such that the lensing signals of background galaxies can be measured by the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) Science Pipelines. By comparing the measured reduced shear g meas and the true reduced shear g true , we observe non-linearity up to g ≲ 0.6 . We fit polynomials to the data with quadratic correction adequate to g ≲ 0.4 . Meanwhile, we conduct mass estimates using the pzmassfitter code on four different clusters. Results The mass estimate results are significantly improved after applying the shear calibration derived from the present work—from 4.954 ± 0.504 × 1 0 14 M ⊙ to 10.507 ± 0.498 × 1 0 14 M ⊙ after calibration for a simulated cluster with the mass of 10 × 1 0 14 M ⊙ . In multiple cases of validation, the estimated results are all consistent with true cluster mass. Discussion This study yields the first relationship between reality and shape measurement of the LSST Science Pipelines and serves as the first step toward the overall goal of mass calibration in cluster lensing. By addressing the challenges in shear measurement and calibration, we aim to enhance the accuracy and reliability of mass estimates in galaxy cluster lensing studies.

Astronomy & Astrophysics↗
DOE OSTI2018

Weak anti-localization of two-dimensional holes in germanium beyond the diffusive regime

Gate-controllable spin-orbit coupling is often one requisite for spintronic devices. For practical spin field-effect transistors, another essential requirement is ballistic spin transport, where the spin precession length is shorter than the mean free path such that the gate-controlled spin precession is not randomized by disorder. In this letter, we report the observation of a gate-induced crossover from weak localization to weak anti-localization in the magneto-resistance of a high-mobility twodimensional hole gas in a strained germanium quantum well. From the magneto-resistance, we extract the phase-coherence time, spin-orbit precession time, spin-orbit energy splitting, and cubic Rashba coefficient over a wide density range. The mobility and the mean free path increase with increasing hole density, while the spin precession length decreases due to increasingly stronger spin-orbit coupling. As the density becomes larger than , 6 x 10 11 cm -2 , the spin precession length becomes shorter than the mean free path, and the system enters the ballistic spin transport regime. We also report here the numerical methods and code developed for calculating the magnetoresistance in the ballistic regime, where the commonly used HLN and ILP models for analyzing weak localization and anti-localization are not valid. These results pave the way toward siliconcompatible spintronic devices.

42 ENGINEERING↗
DOE OSTI2020

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

DFTB+ is a versatile community developed open source software package offering fast and efficient methods for carrying out atomistic quantum mechanical simulations. By implementing various methods approximating density functional theory (DFT), such as the density functional based tight binding (DFTB) and the extended tight binding method, it enables simulations of large systems and long timescales with reasonable accuracy while being considerably faster for typical simulations than the respective ab initio methods. Based on the DFTB framework, it additionally offers approximated versions of various DFT extensions including hybrid functionals, time dependent formalism for treating excited systems, electron transport using non-equilibrium Green’s functions, and many more. DFTB+ can be used as a user-friendly standalone application in addition to being embedded into other software packages as a library or acting as a calculation-server accessed by socket communication. We give an overview of the recently developed capabilities of the DFTB+ code, demonstrating with a few use case examples, discuss the strengths and weaknesses of the various features, and also discuss on-going developments and possible future perspectives.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Restricted spin-range correction in the Oslo method: The example of nuclear level density and γ -ray strength function from Pu 239 ( d , p γ ) Pu 240

The Oslo method has been applied to particle- γ coincidences following the Pu 239 ( d , p ) reaction to obtain the nuclear level density (NLD) and γ -ray strength function ( γ SF ) of Pu 240 . Thus, the experiment was conducted with a 12 MeV deuteron beam at the Oslo Cyclotron Laboratory. The low spin transfer of this reaction leads to a spin-parity mismatch between populated and intrinsic levels. This is a concern for the Oslo method as it can have a significant impact on the extracted NLD and γ SF . We have developed an iterative approach to ensure consistent results even for cases with a large spin-parity mismatch, in which we couple Green's function transfer calculations of the spin-parity dependent population cross-section to the nuclear decay code rainier . The resulting γ SF shows a pronounced enhancement between 2–4 MeV that is consistent with the location of the low-energy orbital M 1 scissors mode.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Statistical (n,$$\gamma $$) cross section model comparison for short-lived nuclei

Abstract Neutron-capture cross sections of neutron-rich nuclei are calculated using a Hauser–Feshbach model when direct experimental cross sections cannot be obtained. A number of codes to perform these calculations exist, and each makes different assumptions about the underlying nuclear physics. We investigated the systematic uncertainty associated with the choice of Hauser-Feshbach code used to calculate the neutron-capture cross section of a short-lived nucleus. The neutron-capture cross section for $$^{73}\hbox {Zn}$$ 73 Zn (n, $$\gamma $$ γ ) $$^{74}\hbox {Zn}$$ 74 Zn was calculated using three Hauser-Feshbach statistical model codes: TALYS, CoH, and EMPIRE. The calculation was first performed without any changes to the default settings in each code. Then an experimentally obtained nuclear level density (NLD) and $$\gamma $$ γ -ray strength function ( $$\gamma \hbox {SF}$$ γ SF ) were included. Finally, the nuclear structure information was made consistent across the codes. The neutron-capture cross sections obtained from the three codes are in good agreement after including the experimentally obtained NLD and $$\gamma \hbox {SF}$$ γ SF , accounting for differences in the underlying nuclear reaction models, and enforcing consistent approximations for unknown nuclear data. It is possible to use consistent inputs and nuclear physics to reduce the differences in the calculated neutron-capture cross section from different Hauser-Feshbach codes. However, ensuring the treatment of the input of experimental data and other nuclear physics are similar across multiple codes requires a careful investigation. For this reason, more complete documentation of the inputs and physics chosen is important.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Geospatial-Temporal Semantic Graph Evaluation for Induced Seismicity Analysis

We assess how geospatial-temporal semantic graphs and our GeoGraphy code implementation might contribute to induced seismicity analysis. We focus on evaluating strengths and weaknesses of both 1) the fundamental concept of semantic graphs and 2) our current code implementation. With extensions and research effort, code implementation limitations can be overcome. The paper also describes relevance including possible data input types, expected analytical outcomes and how it can pair with other approaches and fit into a workflow.

58 GEOSCIENCES↗
DOE OSTI2020

Scan of an Unpublished Report: "Fission Product Behavior During Severe LWR Accidents: Recommendations for the MELCOR Code System"

This document provides a scanned version of a 1987 SAND report that was never formally published. However, this report was referenced within the MELCOR Reference Manual and, therefore, provides historical information and technical basis for the MELCOR code. This document is being made available to permit users of the MELCOR code access to the information. The title page has been edited to prevent any confusion with regards to the possible documentation identifiers, such as the SAND report number or the intended date of publication. Beyond these modifications, a cover, distribution, and back cover are prepended and appended to the document to conform to modern SAND report style guidelines. The first four chapters of this report were updated and released under the title "Fission Product Behavior During Severe LWR Accidents: Recommendations for the MELCOR Code System. Volume I" and were made available by the U.S. NRC through the Adams database under accession number ML19227A327. No prior release of the remaining content of this report has occurred.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

State Indicators for Advancing Demand Flexibility and Energy Efficiency in Buildings - Part I [Slides]

This slide deck report identifies objectives and key indicators for state activities that advance demand flexibility in buildings — legislation, utility regulatory proceedings, executive orders and programs. It also illustrates progress to date and identifies trends, gaps, and opportunities. Part I of the report focuses on (1) demand response and (2) energy efficiency targeted to reduce peak demand or integrate with demand response. This section covers building energy codes, appliance and equipment standards, resource standards, utility planning, utility programs, advanced metering infrastructure and meter data, rate design, state programs, state energy planning, and related state policies and regulations. Part II of the report addresses traditional energy efficiency indicators, including utility and state programs, codes, and standards that support annual energy savings. See the additional links for an infographic, library of cited state documents on demand flexibility, and presentation to the NASEO-NARUC Grid-Interactive Efficient Buildings Working Group.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Photometric and Spectroscopic Observations of the Algol Type Binary V Triangle

Time-series, multi-color photometry and high-resolution spectra of the short-period eclipsing binary V Tri were obtained through observation. The completely covered light and radial velocity (RV) curves of the binary system are presented. All times of light minima derived from both photoelectric and CCD photometry were used to calculate the orbital period and new ephemerides of the eclipsing system. The analysis of the O − C diagram reveals that the orbital period is 0.58520481 days, decreasing at a rate of dP / dt = −7.80 × 10{sup −8} day yr{sup −1}. The mass transfer between the two components and the light-time-travel effect due to a third body could be used to explain the period decrease. However, a semi-detached configuration with the lower-mass component filling and the primary nearly filling each of their Roche lobes was derived from the synthesis of the light and RV curves by using the 2015 version of the Wilson–Devinney code. We consider the period decrease to be the nonconservative mass transfer from the secondary component to the primary and the mass loss of the system, which was thought to be an EB type, while it should be an EA type (semi-detached Algol-type) from our study. The masses, radii, and luminosities of the primary and secondary are 1.60 ± 0.07 M {sub ⊙}, 1.64 ± 0.02 R {sub ⊙}, and 14.14 ± 0.73 L {sub ⊙} and 0.74 ± 0.02 M {sub ⊙}, 1.23 ± 0.02 R {sub ⊙}, and 1.65 ± 0.05 L {sub ⊙}, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗