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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

SALSA_python (SALSython) v1

SALSA_python (Semi-Analytical Leakage Solutions for Aquifers) is a software that computed semi-analytical solutions for hydraulic head and brine leakage in multilayered aquifer–aquitard systems with geologic pressure forcing. It can simulate brine leakage into aquifers in a multi-aquifer-aquitard system with multiple injection and leaky wells. This situation is encountered in underground CO2 storage wherein brine leakage from pressurized reservoirs into aquifers is of concern. SALSA_python calls the original SALSA[1] subroutines in python by using the salsa2.so library. This enables the incorporation and coupling of SALSA computations into existing python-based codes and tools. SALSA_python is available for Linux and Mac operating systems. [1] Cihan, A., Oldenburg, C. M., & Birkholzer, J. T. (2022). Leakage from coexisting geologic forcing and injection-induced pressurization: A semi-analytical solution for multilayered aquifers with multiple wells. Water Resources Research, 58, e2022WR032343.

Bhuvankar, Pramod↗
DOE OSTI2020

Advances in GDSA Framework Development and Process Model Integration

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and highlevel nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2020 advances of the Geologic Disposal Safety Assessment (GDSA) Framework and PFLOTRAN development groups of the SFWST Campaign. The common mission of these groups is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of disposal options and generic sites. The capability is a framework called GDSA Framework that employs high-performance computing (HPC) capable codes PFLOTRAN and Dakota.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

L-BFGS Class Implementation in C++

This report presents a header-only C++ class implementation of the Limited-memory BroydenFletcher-Goldfarb-Shanno (L-BFGS) algorithm. The L-BFGS method is a general purpose quasi-Netwon optimization method that builds an approximation of the descent direction from consecutive iterate and gradient vectors. The limited-memory aspect stems from the replacement of the N × N approximation matrix of the original BFGS method with M vectors of length N. An example usage of the class is included along with the reference source code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials

Accurate molecular property predictions require 3D geometries, which are typically obtained using expensive methods such as density functional theory (DFT). Here, we attempt to obtain molecular geometries by relying solely on machine learning interatomic potential (MLIP) models. To this end, we first curate a large-scale molecular relaxation dataset comprising 3.5 million molecules and 300 million snapshots. Then MLIP pre-trained models are trained with supervised learning to predict energy and forces given 3D molecular structures. Once trained, we show that the pre-trained models can be used in different ways to obtain geometries either explicitly or implicitly. First, it can be used to obtain approximate low-energy 3D geometries via geometry optimization. While these geometries do not consistently reach DFT-level chemical accuracy or convergence, they can still improve downstream performance compared to non-relaxed structures. To mitigate potential biases and enhance downstream predictions, we introduce geometry fine-tuning based on the relaxed 3D geometries. Second, the pre-trained models can be directly fine-tuned for property prediction when ground truth 3D geometries are available. Our results demonstrate that MLIP pre-trained models trained on relaxation data can learn transferable molecular representations to improve downstream molecular property prediction and can provide practically valuable but approximate molecular geometries that benefit property predictions. Our code is publicly available at: https://github.com/divelab/AIRS/.

Fu, Cong [Texas A & M Univ., College Station, TX (↗
DOE OSTI2020

The Distant, Galaxy Cluster Environment of the Short GRB 161104A at $z\sim 0.8$ and a Comparison to the Short GRB Host Population

We present optical observations of the Swift short-duration gamma-ray burst (GRB) GRB 161104A and its host galaxy at z = 0.793 ± 0.003. We model the multiband photometry and spectroscopy with the stellar population inference code Prospector and explore the posterior using nested sampling. We find a mass-weighted age of $t_m = 2.12^{+0.23}_{-0.21}$ Gyr, stellar mass of log(M/M ⊙ ), metallicity of log(Z/Z ⊙ ), dust extinction of $A_V = 0.08^{+0.08}_{-0.05}$, and low star formation rate of 9.9 × 10 -2 M ⊙ yr -1 . These properties, along with a prominent 4000 Å break and optical absorption lines, classify this host as an early-type, quiescent galaxy. Using Dark Energy Survey galaxy catalogs, we demonstrate that the host of GRB 161104A resides on the outskirts of a galaxy cluster at z ≈ 0.8, situated ≈1 Mpc from the likely brightest cluster galaxy. We also present new modeling for 20 additional short GRB hosts (≈33% of which are early-type galaxies), finding population medians of and $t_m = 1.07^{+1.98}_{-0.67}$ Gyr (68% confidence). We further find that the host of GRB 161104A is more distant, less massive, and younger than the four other short GRB hosts known to be associated with galaxy clusters. Cluster short GRBs have faint afterglows, in the lower ≈11% (≈30%) of observed X-ray (optical) luminosities. We place a lower limit on the fraction of short GRBs in galaxy clusters versus those in the field of ≈5%–13%, consistent with the fraction of stellar mass of ≈10%–20% in galaxy clusters at redshifts 0.1 ≤ z ≤ 0.8. Future studies that take advantage of wider-field and deeper cluster surveys are needed to understand the true rate of short GRBs in clusters and their effect on heavy-element enrichment in the intracluster medium.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Controlled flexibility in technical editing - The levels-of-edit concept at JPL

The levels-of-edit concept, which can be used to specify the amount of editorial effort involved in the preparation of a manuscript for publication, is discussed. Nine types of editing are identified and described. These include coordination edit (preparing estimates, gathering cost data, monitoring production processes), policy edit, integrity edit (making sure that parts of a publication match in a physical or numerical sense), screening edit (ensuring that the quality of camera-ready copy is sufficient for external publication), copy clarification edit, format edit, mechanical style edit, language edit, and substantive edit (reviewing the manuscript for content coherence, emphasis, subordination and parallelism). These functions are grouped into five levels of edit. An edit-level number is assigned to each manuscript, providing a quantitative and qualitative indicator of the editing to be done which is clearly understood by authors, managers, and editors alike. In addition, clear boundaries are drawn between normal and extraordinary editing tasks. Individual organizations will group various edits in different ways to reflect their needs and priorities; the essential element of the system is unambiguous definition and coding of the types and amount of work to be done.

Buehler, M. F.↗
NASA NTRS1977

Class of near-perfect coded apertures

Coded aperture imaging of gamma ray sources has long promised an improvement in the sensitivity of various detector systems. The promise has remained largely unfulfilled, however, for either one of two reasons. First, the encoding/decoding method produces artifacts, which even in the absence of quantum noise, restrict the quality of the reconstructed image. This is true of most correlation-type methods. Second, if the decoding procedure is of the deconvolution variety, small terms in the transfer function of the aperture can lead to excessive noise in the reconstructed image. It is proposed to circumvent both of these problems by use of a uniformly redundant array (URA) as the coded aperture in conjunction with a special correlation decoding method.

Cannon, T. M.↗
NASA NTRS1980

Full-coverage film cooling on flat, isothermal surfaces: Data and predictions

The heat transfer and fluid mechanics characteristics of full-coverage film cooling were investigated. The results for flat, isothermal plates for three injection geometries (normal, slant, and compound angle) are summarized and data concerning the spanwise distribution of the heat transfer coefficient within the blowing region are presented. Data are also presented for two different numbers of rows of holes (6 and 11). The experimental results summarized can be predicted with a two dimensional boundary layer code, STANCOOL, by providing descriptors of the injection parameters as inputs.

Crawford, M. E.↗
NASA NTRS1980

A 94/183 GHz aircraft radiometer system for Project Storm Fury

A radiometer design suitable for use in NASA's WB-57F aircraft to collect data from severe storm regions was developed. The design recommended was a 94/183 GHz scanning radiometer with 3 IF channels on either side of the 183.3 GHz water vapor line and a single IF channel for a low loss atmospheric window channel at 94 GHz. The development and construction of the 94/183 GHz scanning radiometer known as the Advanced Microwave Moisture Sounder (AMMS) is presented. The radiometer scans the scene below the aircraft over an angle of + or - 45 degrees with the beamwidth of the scene viewed of approximately 2 degrees at 94 GHz and 1 degree at 183 GHz. The AMMS data collection system consists of a microcomputer used to store the radiometer data on the flight cartridge recorder, operate the stepper motor driven scanner, and collect housekeeping data such as thermistor temperature readings and aircraft time code.

Gagliano, J. A.↗
NASA NTRS1984

SPAR improved structure-fluid dynamic analysis capability, phase 2

An efficient and general method of analyzing a coupled dynamic system of fluid flow and elastic structures is investigated. The improvement of Structural Performance Analysis and Redesign (SPAR) code is summarized. All error codes are documented and the SPAR processor/subroutine cross reference is included.

Pearson, M. L.↗
NASA NTRS1982

PURDU-WINCOF: A computer code for establishing the performance of a fan-compressor unit with water ingestion

A model for predicting the performance of a multi-spool axial-flow compressor with a fan during operation with water ingestion was developed incorporating several two-phase fluid flow effects as follows: (1) ingestion of water, (2) droplet interaction with blades and resulting changes in blade characteristics, (3) redistribution of water and water vapor due to centrifugal action, (4) heat and mass transfer processes, and (5) droplet size adjustment due to mass transfer and mechanical stability considerations. A computer program, called the PURDU-WINCOF code, was generated based on the model utilizing a one-dimensional formulation. An illustrative case serves to show the manner in which the code can be utilized and the nature of the results obtained.

Leonardo, M.↗
NASA NTRS1984

Dynamic characteristics of large repetitive framelike structures

Using a building block approach and starting with a single element, expressions for the energy of various two-dimensional frametype gridwork configurations are derived. These are then used to develop energy equivalent continua for the gridworks. Equations of motion and associated boundary conditions are obtained for the continua. Some dynamic characteristics of these continua are investigated and compared with corresponding results obtained from finite element codes and also with some available theoretical predictions.

Nayfeh, A. H.↗
NASA NTRS1988

Fatigue damage modeling for coated single crystal superalloys

A high temperature, low-cycle fatigue life prediction method for coated single crystal nickel-base superalloys is being developed. The method is being developed for use in predicting crack initiation life of coated single crystal turbine airfoils. Although the models are being developed using coated single crystal PWA 1480, they should be readily adaptable to other coated nickel-base single crystal materials. The coatings choosen for this effort were of two generic types: a low pressure plasma sprayed NiCoCrAlY overlay, designated PWA 286, and an aluminide diffusion, designated PWA 273. In order to predict the useful crack initiation life of airfoils, the constitutive and failure behavior of the coating/substrate combination must be taken into account. Coatings alter the airfoil surface microstructure and are a primary source from which cracks originate. The adopted life prediction approach addresses this complexity by separating the coating and single crystal crack initiation regimes. This provides a flexible means for using different life model formulations for the coating and single crystal materials. At the completion of this program, all constitutive and life model formulations will be available in equation form and as software. The software will use the MARC general purpose finite element code to drive the constitutive models and calculate life parameters.

Nissley, David M.↗
NASA NTRS1989

CAP-TSD: A program for unsteady transonic analysis of realistic aircraft configurations

The development of a new transonic code to predict unsteady flows about realistic aircraft configurations are described. An approximate factorization algorithm for solution of the unsteady transonic small disturbance equation is first described. Because of the superior stability characteristics of the AF algorithm, a new transonic aeroelasticity code was developed which is described in some detail. The new code was very easy to modify to include the additional aircraft components, so in a very short period of time the code was developed to treat complete aircraft configurations. Finally, applications are presented which demonstrate many of the geometry capabilities of the new code.

Batina, John T.↗
NASA NTRS1990

Wing-Design And -Analysis Code

WINGDES2 computer program provides wing-design algorithm based on modified linear theory taking into account effects of attainable leading-edge thrust. Features improved numerical accuracy and additional capabilities. Provides analysis as well as design capability and applicable to both subsonic and supersonic flow. Replaces earlier wing-design code designated WINGDES (see LAR-13315). Written in FORTRAN V.

Darden, Christine M.↗