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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Exact Rayleigh scattering calculations for use with the Nimbus-7 Coastal Zone Color Scanner

The radiance reflected from a plane-parallel atmosphere and flat sea surface in the absence of aerosols has been determined with an exact multiple scattering code to improve the analysis of Nimbus-7 CZCS imagery. It is shown that the single scattering approximation normally used to compute this radiance can result in errors of up to 5 percent for small and moderate solar zenith angles. A scheme to include the effect of variations in the surface pressure in the exact computation of the Rayleigh radiance is discussed. The results of an application of these computations to CZCS imagery suggest that accurate atmospheric corrections can be obtained for solar zenith angles at least as large as 65 deg.

Gordon, Howard R.↗
NASA NTRS2018

Evaluation of the Land Surface Reflectance Fundamental Climate Data Record

The land surface reflectance is a fundamental climate data record at the basis of the derivation of other climate data records (Albedo, LAI/Fpar, Vegetation indices) and has been recognized as a key parameter in the understanding of the land-surface-climate processes. In this presentation, we present the validation of the Land surface reflectance used for MODIS, VIIRS, Landsat 8 and Sentinel 2 data. This methodology uses the 6SV Code and data from the AERONET network. The overall accuracy clearly reaches the satellite specifications. To understand how to improve the validation, we developed an exhaustive error budget. Results show an impact of the absorption of aerosol and of the fine mode volume concentration.

Atmospheric correction↗
DOE OSTI2023

Machine learning from RANS and LES to inform coarse grid simulations

Nuclear system thermal hydraulic analysis has historically relied on computationally inexpensive 1D codes. However, such tools are unable to capture multiscale multidimensional effects in large nuclear reactor enclosures. On the other hand, simulations with higher fidelity can be too expensive for such purposes. One of the ways to reduce computational cost is to perform simulations on a coarse grid, which, unfortunately, introduces large discretization errors. In this paper, two high-to-low data-driven approaches are investigated: (1) a coarse grid turbulence model to predict eddy viscosity and (2) correction of errors in coarse grid velocity fields. The approaches aim to reduce grid- and turbulence model-induced errors in coarse grid Reynolds-averaged Navier–Stokes (RANS) simulations. Two sources of high-fidelity data, RANS and large eddy simulations (LES), are explored. To extract the eddy viscosity from the LES data, an inverse optimization problem is solved. However, the LES eddy viscosity is shown to be comparable to the RANS eddy viscosity in terms of error reduction. Therefore, the directly available RANS eddy viscosity was used to develop a coarse grid data-driven turbulence model. Additionally, error correction in velocity is used to reduce the remaining uncertainties and bring the results closer to reality. In conclusion, the performance of the frameworks is demonstrated for a scaled upper plenum of a gas-cooled reactor facility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Implementation of Perdew–Zunger self-interaction correction in real space using Fermi–Löwdin orbitals

Most widely used density functional approximations suffer from self-interaction error, which can be corrected using the Perdew–Zunger (PZ) self-interaction correction (SIC). We implement the recently proposed size-extensive formulation of PZ-SIC using Fermi–Löwdin Orbitals (FLOs) in real space, which is amenable to systematic convergence and large-scale parallelization. Here, we verify the new formulation within the generalized Slater scheme by computing atomization energies and ionization potentials of selected molecules and comparing to those obtained by existing FLOSIC implementations in Gaussian based codes. The results show good agreement between the two formulations, with new real-space results somewhat closer to experiment on average for the systems considered. We also obtain the ionization potentials and atomization energies by scaling down the Slater statistical average of SIC potentials. The results show that scaling down the average SIC potential improves both atomization energies and ionization potentials, bringing them closer to experiment. Finally, we verify the present formulation by calculating the barrier heights of chemical reactions in the BH6 dataset, where significant improvements are obtained relative to Gaussian based FLOSIC results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Entanglement Purification and Protection in a Superconducting Quantum Network

High-fidelity quantum entanglement is a key resource for quantum communication and distributed quantum computing, enabling quantum state teleportation, dense coding, and quantum encryption. Any sources of decoherence in the communication channel, however, degrade entanglement fidelity, thereby increasing the error rates of entangled state protocols. Entanglement purification provides a method to alleviate these nonidealities by distilling impure states into higher-fidelity entangled states. In this work, we demonstrate the entanglement purification of Bell pairs shared between two remote superconducting quantum nodes connected by a moderately lossy, 1-meter long superconducting communication cable. We use a purification process to correct the dominant amplitude damping errors caused by transmission through the cable, with fractional increases in fidelity as large as 25%, achieved for higher damping errors. The best final fidelity the purification achieves is 94.09 ± 0.98%. In addition, we use both dynamical decoupling and Rabi driving to protect the entangled states from local noise, increasing the effective qubit dephasing time by a factor of 4, from 3 to 12 μs. These methods demonstrate the potential for the generation and preservation of very high-fidelity entanglement in a superconducting quantum communication network.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2022

Numerical Results for Polarized Light Scattering in a Spherical Atmosphere

We report numerical results for polarized light reflection from the top of a Rayleigh scattering spherical atmosphere with height-dependent single scattering albedo over a dark surface. Michael Mishchenko considered this scenario back in the 1990’s, for a plane-parallel atmosphere of unit optical thickness (OT), for which radiance errors arising from neglecting polarization reaches their highest values. To further extend Mishchenko’s results, we consider a value of OT = 0.25, for which the effect of atmospheric curvature is pronounced. New results are generated using three state-of-the art radiative transfer (RT) codes. These are: the MYSTIC and MCSSA models, which simulate light scattering in a true- spherical atmosphere using Monte Carlo methods; and the discrete ordinate code VLIDORT, operating with a new multiple-scatter spherical correction designed to deliver reasonable approximations to spherical-medium scattering. In this work, we report results for both single and multiple scattering; this will help to support the validation of existing and future polarized spherical RT codes, especially those using approximative methods to deal with sphericity.

S Korkin↗
DOE OSTI2022

FLASSH 1.0: Thermal scattering law evaluation and cross section generation for reactor physics applications

The Full Law Analysis Scattering System Hub (FLASSH) is a modern, advanced code which evaluates the thermal scattering law (TSL) along with accompanying cross sections. FLASSH features generalized methods which accommodate any material structure. Historical approximations including the incoherent and cubic approximations have been removed. Instead, the latest release of FLASSH features advanced physics options including distinct corrections (1-phonon contributions) and non-cubic formulations. The non-cubic elastic and inelastic contributions are necessary to accurately evaluate 1-phonon contributions. Both non-cubic and 1-phonon calculations require high-density sampling of the various scattering directions. Optimization and parallelization of these routines were therefore necessary to produce results in a reasonable timeframe. With these notable improvements to the generalized TSL, FLASSH 1.0 meets benchmark requirements, demonstrating noticeable agreement with experiment for both TSLs and the resulting integrated cross sections. Additional features including a graphical user interface (GUI), plotting diagnostics, and formatted output options including ACE files allow users to complete a TSL evaluation with minimal input and maximum flexibility. The user GUI creates input files for FLASSH, reducing user error and also providing built-in error checks. Autofill options and suggested input values help make TSL evaluation accessible to novice users. The FLASSH code is compiled to run on both Windows and Linux platforms with automatic parallelization. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1981

Use of interactive graphics to analyze QUICK-geometry

The QUICK InterActive Graphics Analysis (QUIAGA) program and its advantages for displaying aircraft QUICK-geometry to aid in detection and analysis of errors are described. The QUICK-geometry system generates a completely analytical aircraft geometry description for use by finite-difference flow codes. The QUIAGA program was developed to exercise the QUICK-geometry subroutines to examine the analytic definition of a configuration by plotting cross sections and body lines on a graphics terminal. A number of options are available, including multiple cross-section views, hidden-line removal, and display of control point locations. Use of these options for the detection and analysis of errors in the QUICK-geometry definition can be of great assistance in speedily arriving at a correct analytical geometry description for flow-field computation. The QUIAGA program has been used in developing a QUICK-geometry model of the NASA Space Shuttle Orbiter, and examples from this experience are given to show some of the program's features. Details of program usage and an example session are given in the appendixes.

Townsend, J. C.↗
NASA NTRS1988

Accurate solutions, parameter studies and comparisons for the Euler and potential flow equations

Parameter studies are conducted using the Euler and potential flow equation models for unsteady and steady flows in both two and three dimensions. The Euler code is an implicit, upwind, finite volume code which uses the Van Leer method of flux-vector-splitting which has been recently extended for use on dynamic meshes and maintain all the properties of the original splitting. The potential flow code is an implicit, finite difference method for solving the transonic small disturbance equations and incorporates both entropy and vorticity corrections into the solution procedures thereby extending its applicability into regimes where shock strength normally precludes its use. Parameter studies resulting in benchmark type calculations include the effects of spatial and temporal refinement, spatial order of accuracy, far field boundary conditions for steady flow, frequency of oscillation, and the use of subiterations at each time step to reduce linearization and factorization errors. Comparisons between Euler and potential flows results are made as well as with experimental data where available.

Anderson, W. Kyle↗
NASA NTRS1988

Accurate solutions, parameter studies and comparisons for the Euler and potential flow equations

Parameter studies are conducted using the Euler and potential flow equation models for steady and unsteady flows in both two and three dimensions. The Euler code is an implicit, upwind, finite volume code which uses the Van Leer method of flux vector splitting which has been recently extended for use on dynamic meshes and maintain all the properties of the original splitting. The potential flow code is an implicit, finite difference method for solving the transonic small disturbance equations and incorporates both entropy and vorticity corrections into the solution procedures thereby extending its applicability into regimes where shock strength normally precludes its use. Parameter studies resulting in benchmark type calculations include the effects of spatial and temporal refinement, spatial order of accuracy, far field boundary conditions for steady flow, frequency of oscillation, and the use of subiterations at each time step to reduce linearization and factorization errors. Comparisons between Euler and potential flow results are made, as well as with experimental data where available.

Anderson, W. Kyle↗
NASA NTRS1989

An approximate methods approach to probabilistic structural analysis

A major research and technology program in Probabilistic Structural Analysis Methods (PSAM) is currently being sponsored by the NASA Lewis Research Center with Southwest Research Institute as the prime contractor. This program is motivated by the need to accurately predict structural response in an environment where the loadings, the material properties, and even the structure may be considered random. The heart of PSAM is a software package which combines advanced structural analysis codes with a fast probability integration (FPI) algorithm for the efficient calculation of stochastic structural response. The basic idea of PAAM is simple: make an approximate calculation of system response, including calculation of the associated probabilities, with minimal computation time and cost, based on a simplified representation of the geometry, loads, and material. The deterministic solution resulting should give a reasonable and realistic description of performance-limiting system responses, although some error will be inevitable. If the simple model has correctly captured the basic mechanics of the system, however, including the proper functional dependence of stress, frequency, etc. on design parameters, then the response sensitivities calculated may be of significantly higher accuracy.

Mcclung, R. C.↗
NASA NTRS2001

Dynamic Deformation Measurements of an Aeroelastic Semispan Model

The techniques used to acquire, reduce, and analyze dynamic deformation measurements of an aeroelastic semispan wind tunnel model are presented. Single-camera, single-view video photogrammetry (also referred to as videogrammetric model deformation, or VMD) was used to determine dynamic aeroelastic deformation of the semispan 'Models for Aeroelastic Validation Research Involving Computation' (MAVRIC) model in the Transonic Dynamics Tunnel at the NASA Langley Research Center. Dynamic deformation was determined from optical retroreflective tape targets at five semispan locations located on the wing from the root to the tip. Digitized video images from a charge coupled device (CCD) camera were recorded and processed to automatically determine target image plane locations that were then corrected for sensor, lens, and frame grabber spatial errors. Videogrammetric dynamic data were acquired at a 60-Hz rate for time records of up to 6 seconds during portions of this flutter/Limit Cycle Oscillation (LCO) test at Mach numbers from 0.3 to 0.96. Spectral analysis of the deformation data is used to identify dominant frequencies in the wing motion. The dynamic data will be used to separate aerodynamic and structural effects and to provide time history deflection data for Computational Aeroelasticity code evaluation and validation.

Graves, Sharon S.↗
DOE OSTI2024

Non-disruptive error field measurement in DIII-D low safety factor plasmas and projection to ITER

Previous experiments in DIII-D (Paz-Soldan et al 2022 Nucl. Fusion 62 126007) introduced a method to identify intrinsic error fields (EFs) in tokamaks with minimal disruption risk by promptly healing driven magnetic islands during the conventional 'compass scan'. This paper presents recent experimental and numerical advancements in extending this approach to low q 95 plasmas, and projects its applicability to ITER. Non-disruptive EF measurement is achieved at q 95 = 4.5 and 3.9 without any initial EF correction (EFC) by reducing the time between the occurrence of the locked mode (LM) and control action to 10 ms and increasing the density 50%–100%. However, 50% correction of the intrinsic EF is required to achieve island healing at q 95 = 3.2 with 10 ms delay for the control action. Nonlinear two-fluid modeling with the TM1 code reproduces the DIII-D experimental observations, indicating that promptly turning off the 3D coil current reduces both magnetic island width and electromagnetic force, while raising the density increases plasma viscosity, facilitating magnetic island healing. The simulations show that for scenarios with q 95 = 3.2, lowering the control action time to 5 ms will lead to island healing without EFC. TM1 simulations are extended to future ITER scenarios with 5 MA and 7.5 MA plasma currents, predicting the dependence of required density rise on action time and EF amplitude. These simulations indicate that, benefiting from the much longer resistive time, island healing can be successfully achieved in ITER when taking control action 100–500 ms after a LM occurrence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

Advanced End-to-end Simulation for On-board Processing (AESOP)

Developers of data compression algorithms typically use their own software together with commercial packages to implement, evaluate and demonstrate their work. While convenient for an individual developer, this approach makes it difficult to build on or use another's work without intimate knowledge of each component. When several people or groups work on different parts of the same problem, the larger view can be lost. What's needed is a simple piece of software to stand in the gap and link together the efforts of different people, enabling them to build on each other's work, and providing a base for engineers and scientists to evaluate the parts as a cohesive whole and make design decisions. AESOP (Advanced End-to-end Simulation for On-board Processing) attempts to meet this need by providing a graphical interface to a developer-selected set of algorithms, interfacing with compiled code and standalone programs, as well as procedures written in the IDL and PV-Wave command languages. As a proof of concept, AESOP is outfitted with several data compression algorithms integrating previous work on different processors (AT&T DSP32C, TI TMS320C30, SPARC). The user can specify at run-time the processor on which individual parts of the compression should run. Compressed data is then fed through simulated transmission and uncompression to evaluate the effects of compression parameters, noise and error correction algorithms. The following sections describe AESOP in detail. Section 2 describes fundamental goals for usability. Section 3 describes the implementation. Sections 4 through 5 describe how to add new functionality to the system and present the existing data compression algorithms. Sections 6 and 7 discuss portability and future work.

Mazer, Alan S.↗
NASA NTRS1995

Introduction to Penelope

A formal program verification is a (mathematical) proof that a program executed according to its intended model meets some specification. This proves that the algorithm defined by the program is correct in the precise technical sense of being consistent with a particular specification. A program correct in this sense is free from a large and important class of errors, even though its behavior may still produce unintended results--either because the implementation of the programming language itself does not match the model of execution, or because the specification does not correctly express the user's intentions. Penelope is a prototype system for interactively developing and verifying programs that are written in a rich subset of sequential Ada. Penelope can be used to develop a program and its correctness proof incrementally, and in concert with one another. Incrementality is used in a number of ways to help make verification more tractable and more productive. For example, if an already-verified program is modified, one can attempt to prove the modified version by replaying and modifying the original verification. Penelope's specification language, Larch/Ada, belongs to the family of Larch interface languages. Larch/Ada scales up properly, in the sense that it is demonstrably sound to decompose a system hierarchically and reason locally about the implementation of each piece. Penelope has been applied in various demonstration projects--for specification (guidance control, distributed operating systems), verification (of off-the-shelf code), and formal development (by non-expert as well as expert users). Some features of Penelope have been embodied in Ada Wise, a lint-like non-interactive tool that warns of the potential for certain dynamic semantic errors in Ada programs.

Guaspari, David↗
DOE OSTI2024

Machine learning framework for predicting uranium enrichments from M400 CZT gamma spectra

A machine learning framework was developed for predicting uranium enrichments from M400 CZT gamma spectra. This framework leverages the availability of a large amount of measured M400 gamma spectra and uses a recently updated version of Gamma Detector Response and Analysis Software (GADRAS) for gamma spectrum analysis and generation. It also leverages the existing machine learning modules in Python for gamma spectrum data processing, curation, model training, benchmarking, and optimization of the deep machine learning models. The framework is used to develop a deep learning model to analyze gamma spectra from a set of U 3 O 8 samples with enrichments ranging from 0.31 to 93.17% and UF 6 cylinders with enrichments ranging from 0.2 to 4.95%, and the model performance is tested using a set of measured spectra and the respective declared enrichment values. Results show that the model can correctly classify 99.35% of the U 3 O 8 sample enrichments, and can predict the samples’ enrichments within an average absolute error of 0.099% (in percentage points of enrichment). For the UF 6 cylinders, the average absolute error was approximately 0.03%, with an accuracy of 98% in classifying discrete enrichment values of UF 6 samples. Finally, the results also show that the model has performed significantly better in terms of predicting enrichments in UF 6 cylinders based on measured gamma spectra than the GEM code, with a standard deviation (of the relative errors) of 2.23% (compared with the 11.51% value for the GEM code) based on results from a set of test data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Nonperturbative gravity corrections to bulk reconstruction

Abstract We introduce a new algebraic framework for understanding nonperturbative gravitational aspects of bulk reconstruction with a finite or infinite-dimensional boundary Hilbert space. We use relative entropy equivalence between bulk and boundary with an inclusion of nonperturbative gravitational errors, which give rise to approximate recovery. We utilize the privacy/correctability correspondence to prove that the reconstruction wedge, the intersection of all entanglement wedges in pure and mixed states, manifestly satisfies bulk reconstruction. We explicitly demonstrate that local operators in the reconstruction wedge of a given boundary region can be recovered in a state-independent way for arbitrarily large code subspaces, up to nonperturbative errors in G N . We further discuss state-dependent recovery beyond the reconstruction wedge and the use of the twirled Petz map as a universal recovery channel. We discuss our setup in the context of quantum islands and the information paradox.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

AutoLabs: cognitive multi-agent systems with self-correction for autonomous chemical experimentation

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs approaches expert-authored reference procedures on the benchmark (F1-score > 0.89) on challenging multi-plate syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗