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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

TWINTN4: A program for transonic four-wall interference assessment in two-dimensional wind tunnels

A method for assessing the wall interference in transonic two-dimensional wind tunnel tests including the effects of the tunnel sidewall boundary layer was developed and implemented in a computer program named TWINTN4. The method involves three successive solutions of the transonic small disturbance potential equation to define the wind tunnel flow, the equivalent free air flow around the model, and the perturbation attributable to the model. Required input includes pressure distributions on the model and along the top and bottom tunnel walls which are used as boundary conditions for the wind tunnel flow. The wall-induced perturbation field is determined as the difference between the perturbation in the tunnel flow solution and the perturbation attributable to the model. The methodology used in the program is described and detailed descriptions of the computer program input and output are presented. Input and output for a sample case are given.

Kemp, W. B., Jr.↗
DOE OSTI2025

Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing

As advances in digital engineering continue to push the technological boundaries, digital twin (DT) visualizations for diagnostics and safeguards advancement become much more feasible and practical. DTs generate large and complex data streams that require effective user interfaces to provide monitoring and diagnostic capabilities. Unfortunately, while these frameworks exist, there is not much research on the systematic documentation of human–computer interaction (HCI) for DT visualization. This work presents a dual-mode visualization methodology (two dimensional [2D] graphical user interface dashboard and 3D mixed reality) designed to support diagnostic tasks in DT systems and building on a validated framework and applying established HCI principles. The methodology is demonstrated through a case study of aqueous processing at Idaho National Laboratory, using experimental data from the chemical solvent extraction runs. Our interfaces display real-time alerts and monitoring to inform users of safeguards anomalies. The interfaces use immersive 3D mixed-reality visualization for further system and experiment investigation. This work demonstrates how the systematic application of HCI principles can inform DT visualization design for diagnostic and safeguards applications. While formal user evaluation studies remain as future work, this paper documents the systematic design methodology and demonstrates a proof-of-concept implementation.

3D visualization↗
NASA NTRS2008

Numerical Determination of Critical Conditions for Thermal Ignition

The determination of ignition or thermal explosion in an oxidizing porous body of material, as described by a dimensionless reaction-diffusion equation of the form .tu = .2u + .e-1/u over the bounded region O, is critically reexamined from a modern perspective using numerical methodologies. First, the classic stationary model is revisited to establish the proper reference frame for the steady-state solution space, and it is demonstrated how the resulting nonlinear two-point boundary value problem can be reexpressed as an initial value problem for a system of first-order differential equations, which may be readily solved using standard algorithms. Then, the numerical procedure is implemented and thoroughly validated against previous computational results based on sophisticated path-following techniques. Next, the transient nonstationary model is attacked, and the full nonlinear form of the reaction-diffusion equation, including a generalized convective boundary condition, is discretized and expressed as a system of linear algebraic equations. The numerical methodology is implemented as a computer algorithm, and validation computations are carried out as a prelude to a broad-ranging evaluation of the assembly problem and identification of the watershed critical initial temperature conditions for thermal ignition. This numerical methodology is then used as the basis for studying the relationship between the shape of the critical initial temperature distribution and the corresponding spatial moments of its energy content integral and an attempt to forge a fundamental conjecture governing this relation. Finally, the effects of dynamic boundary conditions on the classic storage problem are investigated and the groundwork is laid for the development of an approximate solution methodology based on adaptation of the standard stationary model.

Luo, W.↗
NASA NTRS1993

Probe Compensation in Cylindrical Near-Field Scanning: A Novel Simulation Methodology

Probe pattern compensation is essential in near-field scanning geometry, where there is a greatneed to accurately know far-field pattern at wide angular range. This paper focuses on a novelformulation and computer simulation to determine the precise need for and effect of probecompensation in cylindrical near-field scanning. The methodology is applied to a linear test arrayantenna and the NASA scatterometer radar antenna. The formulation is based on representing theprobe (circular aperture) by its equivalent tangential magnetic currents. The interaction between theprobe equivalent aperture currents and the test antenna fields is obtained with the application ofreciprocity theorem. This allows us to obtain the probe vector output pickup integral which isproportional to the amplitude and phase of the electric field induced in the probe aperture with respectto its position to the test antenna.

Rahmat-Samii, Y↗
NASA NTRS1998

Performance Analysis of Distributed Object-Oriented Applications

The purpose of this research was to evaluate the efficiency of a distributed simulation architecture which creates individual modules which are made self-scheduling through the use of a message-based communication system used for requesting input data from another module which is the source of that data. To make the architecture as general as possible, the message-based communication architecture was implemented using standard remote object architectures (Common Object Request Broker Architecture (CORBA) and/or Distributed Component Object Model (DCOM)). A series of experiments were run in which different systems are distributed in a variety of ways across multiple computers and the performance evaluated. The experiments were duplicated in each case so that the overhead due to message communication and data transmission can be separated from the time required to actually perform the computational update of a module each iteration. The software used to distribute the modules across multiple computers was developed in the first year of the current grant and was modified considerably to add a message-based communication scheme supported by the DCOM distributed object architecture. The resulting performance was analyzed using a model created during the first year of this grant which predicts the overhead due to CORBA and DCOM remote procedure calls and includes the effects of data passed to and from the remote objects. A report covering the distributed simulation software and the results of the performance experiments has been submitted separately. The above report also discusses possible future work to apply the methodology to dynamically distribute the simulation modules so as to minimize overall computation time.

Schoeffler, James D.↗
NASA NTRS1991

On the formulation of a minimal uncertainty model for robust control with structured uncertainty

In the design and analysis of robust control systems for uncertain plants, representing the system transfer matrix in the form of what has come to be termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents a transfer function matrix M(s) of the nominal closed loop system, and the delta represents an uncertainty matrix acting on M(s). The nominal closed loop system M(s) results from closing the feedback control system, K(s), around a nominal plant interconnection structure P(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unsaturated uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, but for real parameter variations delta is a diagonal matrix of real elements. Conceptually, the M-delta structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the currently available literature addresses computational methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty, where the term minimal refers to the dimension of the delta matrix. Since having a minimally dimensioned delta matrix would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta would be useful. Hence, a method of obtaining the interconnection system P(s) is required. A generalized procedure for obtaining a minimal P-delta structure for systems with real parameter variations is presented. Using this model, the minimal M-delta model can then be easily obtained by closing the feedback loop. The procedure involves representing the system in a cascade-form state-space realization, determining the minimal uncertainty matrix, delta, and constructing the state-space representation of P(s). Three examples are presented to illustrate the procedure.

Belcastro, Christine M.↗
NASA NTRS1995

Implementation of probabilistic design methodology at Tennessee State University

The fact that Deterministic Design Method no longer satisfies most design needs calls for methods that will cope with the high trend in technology. The advance in computer technology has reduced the rigors that normally accompany many design analysis methods that account for uncertainties in design parameters. Probabilistic Design Methodology (PDM) is beginning to make impact in engineering design. This method is gaining more recognition in industries than in educational institutions. Some of the reasons for the limited use of the PDM at the moment are that many are unaware of its potentials, and most of the software developed for PDM are very recent. The central goal of the PDM project at Tennessee State University is to introduce engineering students to this method. The students participating in the project learn about PDM and the computer codes that are available to the design engineer. The software being used for this project is NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) developed under NASA probabilistic structural analysis program. NESSUS has three different modules which make it a very comprehensive computer code for PDM. Since this method is new to the students, its introduction into the engineering curriculum is to be in stages. These range from the introduction of PDM and its software to the applications. While this program is being developed for its eventual inclusion into the engineering curriculum, some graduate and undergraduate students are already carrying out some projects using this method. As the students are increasing their understanding on PDM, they are at the same time applying it to some common design problems. The areas this method is being applied at the moment include, Design of Gears (spur and worm); Design of Brakes; Design of Heat Exchangers Design of Helical Springs; and Design of Shock Absorbers. Some of the current results of these projects are presented.

Onwubiko, Chinyere↗
DOE OSTI2026

Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals

Highly emissive organic molecular crystals find applications in several areas, such as organic electronics, solar cells, and sensors. Understanding the excited-state mechanisms underlying these applications is essential for optimizing and controlling them effectively. Exciton models coupled with nonadiabatic dynamics, particularly quantum dynamics, provide crucial insights into photochemical and photophysical processes in molecular crystals. Nevertheless, there remains a lack of general tools and automated workflows to facilitate such simulations. In this paper, we present a computational strategy to investigate the photoactivated dynamics of organic molecular crystals, bridging methodologies traditionally used for molecular systems and materials science, with a particular focus on the interplay between local excitations and charge transfer (CT) processes. We have implemented an interface between the fromage and Overdia programs, enabling the construction of vibronic Hamiltonians for molecular crystals within an excited-state ONIOM(QM:QM′) framework, incorporating long-range electrostatics through a RESP-based Ewald summation. Fragment-based diabatization provides a route to quantum dynamics simulations in weak-to-intermediate coupling regimes. The method was applied to the photophysics of dibenzo[g,p]chrysene (DBC) crystals using time-dependent DFT. The fromage/ Overdia interface was employed to compute the couplings of local excitations and CT states for 18 unique DBC dimers in the crystal and to quantify the influence of electrostatic embedding, which was found to be modest (10−20%). Simulations on π-stacked dimers reproduced the small red shift observed experimentally from solution to crystal, attributed to electronic interactions among fixed monomers rather than crystal electrostatics. Quantum dynamics simulations revealed ultrafast population transfer from bright local excitations to CT states. This approach establishes a robust framework linking molecular and solid-state excited-state dynamics, with potential applications for studying excitations, defects, and impurities in molecular crystals.

Crystals↗
NASA NTRS2016

Uncertainty Reduction using Bayesian Inference and Sensitivity Analysis: A Sequential Approach to the NASA Langley Uncertainty Quantification Challenge

This paper presents a computational framework for uncertainty characterization and propagation, and sensitivity analysis under the presence of aleatory and epistemic un- certainty, and develops a rigorous methodology for efficient refinement of epistemic un- certainty by identifying important epistemic variables that significantly affect the overall performance of an engineering system. The proposed methodology is illustrated using the NASA Langley Uncertainty Quantification Challenge (NASA-LUQC) problem that deals with uncertainty analysis of a generic transport model (GTM). First, Bayesian inference is used to infer subsystem-level epistemic quantities using the subsystem-level model and corresponding data. Second, tools of variance-based global sensitivity analysis are used to identify four important epistemic variables (this limitation specified in the NASA-LUQC is reflective of practical engineering situations where not all epistemic variables can be refined due to time/budget constraints) that significantly affect system-level performance. The most significant contribution of this paper is the development of the sequential refine- ment methodology, where epistemic variables for refinement are not identified all-at-once. Instead, only one variable is first identified, and then, Bayesian inference and global sensi- tivity calculations are repeated to identify the next important variable. This procedure is continued until all 4 variables are identified and the refinement in the system-level perfor- mance is computed. The advantages of the proposed sequential refinement methodology over the all-at-once uncertainty refinement approach are explained, and then applied to the NASA Langley Uncertainty Quantification Challenge problem.

Uncertainty↗
NASA NTRS2012

Discrete Adjoint-Based Design for Unsteady Turbulent Flows On Dynamic Overset Unstructured Grids

A discrete adjoint-based design methodology for unsteady turbulent flows on three-dimensional dynamic overset unstructured grids is formulated, implemented, and verified. The methodology supports both compressible and incompressible flows and is amenable to massively parallel computing environments. The approach provides a general framework for performing highly efficient and discretely consistent sensitivity analysis for problems involving arbitrary combinations of overset unstructured grids which may be static, undergoing rigid or deforming motions, or any combination thereof. General parent-child motions are also accommodated, and the accuracy of the implementation is established using an independent verification based on a complex-variable approach. The methodology is used to demonstrate aerodynamic optimizations of a wind turbine geometry, a biologically-inspired flapping wing, and a complex helicopter configuration subject to trimming constraints. The objective function for each problem is successfully reduced and all specified constraints are satisfied.

Nielsen, Eric J.↗
DOE OSTI2024

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL National Security Test Range

This assessment uses screening level models to calculate potential environmental impacts from proposed tests at two locations at the Idaho National Laboratory (INL) National Security Test Range (NSTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K 2 O, LaBr 3 , KBr, Cu, Zr, F, Ga, Ga 2 O 3 , NaNO 2 , Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface soil impacts were calculated with the computer program Mixing-Cell Model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated based on the assumption that 12 tests are conducted annually using all 11 material types for 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer code input, output, executable files, batch files, scripts, and spreadsheet files, are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Computational toolkit for predicting thickness of 2D materials using machine learning and autogenerated dataset by large language model

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties, such as energy storage capacity, due to the intrinsic vacuum within these materials. Although a plethora of experimental techniques, including but not limited to optical contrast, Raman spectroscopy, nonlinear optical spectroscopy, near-field optical imaging, and hyperspectral imaging, facilitate the measurement of 2D material thickness, comprehensive data for many materials remain elusive. Over the past decade, the exponential proliferation of 2D materials and their heterostructures has outstripped the capabilities of conventional experimental and computational approaches. In this evolving landscape, machine learning (ML) has emerged as an indispensable tool, offering a scalable approach to augment these traditional methodologies. Addressing the critical gap, we introduce THICK2D—Thickness Hierarchy Inference and Calculation Kit for 2D Materials. This Python-based computational framework harnesses an autogenerated thickness database, developed using large language models, and advanced ML algorithms to facilitate the rapid and scalable estimation of material thickness, relying solely on crystallographic data. To demonstrate the utility and robustness of THICK2D, we successfully used the toolkit to predict the thickness of more than 8000 2D-based materials, sourced from two extensive 2D materials databases. THICK2D is disseminated as an open-source utility, accessible on GitHub at https://github.com/gmp007/THICK2D, and archived on Zenodo at https://10.5281/zenodo.11216648.

Ekuma, Chinedu E. (ORCID:0000000258527556)↗
NASA NTRS2002

Assessment of the Unstructured Grid Software TetrUSS for Drag Prediction of the DLR-F4 Configuration

An application of the NASA unstructured grid software system TetrUSS is presented for the prediction of aerodynamic drag on a transport configuration. The paper briefly describes the underlying methodology and summarizes the results obtained on the DLR-F4 transport configuration recently presented in the first AIAA computational fluid dynamics (CFD) Drag Prediction Workshop. TetrUSS is a suite of loosely coupled unstructured grid CFD codes developed at the NASA Langley Research Center. The meshing approach is based on the advancing-front and the advancing-layers procedures. The flow solver employs a cell-centered, finite volume scheme for solving the Reynolds Averaged Navier-Stokes equations on tetrahedral grids. For the present computations, flow in the viscous sublayer has been modeled with an analytical wall function. The emphasis of the paper is placed on the practicality of the methodology for accurately predicting aerodynamic drag data.

Pirzadeh, Shahyar Z.↗
DOE OSTI2024

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL Radiological Response Training Range

This assessment uses screening level models to calculate potential environmental impacts from proposed tests at the Idaho National Laboratory (INL) Radiological Response Training Range (RRTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K 2 O, LaBr 3 , KBr, Cu, Zr, F, Ga, Ga 2 O 3 , NaNO 2 , Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface-soil impacts were calculated with the computer program Mixing-Cell Model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated based on the assumption that 12 tests are conducted annually using all 11 material types for a period of 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer code input, output, executable files, batch files, scripts, and spreadsheet files are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Open data sets for assessing photovoltaic system reliability

Photovoltaic (PV) systems have become a cornerstone of renewable energy strategies, particularly due to the significant reduction in solar power costs over the past decade. However, the long-term reliability of PV installations presents a persistent challenge, requiring the development of advanced monitoring and predictive maintenance strategies. A wide range of data types is used to evaluate the health of PV systems, including environmental conditions, electrical performance, and inspection imagery. These data enable methodologies such as machine learning (ML) models for lifetime prediction and computer vision techniques for defect detection. However, the acquisition of high-quality and comprehensive data is difficult, particularly in terms of long-term consistency and data variety. Publicly available data sets serve as valuable resources for addressing these challenges, but they often suffer from fragmentation and are difficult to access. This paper presents a comprehensive review of existing open-source data sets related to PV degradation, analyzing their features, functionalities, and potential applications. We categorize these data sets based on the specific aspects of PV system information they cover, such as environmental conditions, operational monitoring, image inspection and module materials, and propose relevant tools and ML models for processing them. In addition, we propose practices for future data collection and usage, while also discussing potential directions in data-driven research. Our aim is to enhance data utilization and publication among researchers and industry professionals, promoting a deeper understanding of the role of data in enhancing the performance and durability of PV systems.

14 SOLAR ENERGY↗
DOE OSTI2025

Desmearing two-dimensional small-angle neutron scattering data by central moment expansions

Resolution smearing is a critical challenge in the quantitative analysis of two-dimensional small-angle neutron scattering (SANS) data, particularly in studies of soft-matter flow and deformation using SANS. Here, we present a central moment expansion technique to address smearing in anisotropic scattering spectra, offering a model-free desmearing methodology. By accounting for directional variations in resolution smearing and enhancing computational efficiency, this approach reconstructs desmeared intensity distributions from smeared experimental data. Computational benchmarks using interacting hard-sphere fluids and Gaussian chain models validate the accuracy of the method, while simulated noise analyses confirm its robustness under experimental conditions. Experimental validation using rheological SANS data from shear-induced micellar structures demonstrates the practicality and effectiveness of the proposed algorithm. The desmearing technique provides a powerful tool for advancing the quantitative analysis of anisotropic scattering patterns, enabling precise insights into the interplay between material microstructure and macroscopic flow behavior.

anisotropic scattering spectra↗
DOE OSTI2025

An AI-Based 3D Bat Movement Tracking System at Wind Energy Facilities Using Multi-Thermal Video Cameras

The poster at the 15th Wind Wildlife Research Meeting discusses how to leverage the potential of real-time thermal-imaging methodologies in quantifying nocturnal bat activities at wind turbines, using 3D computer vision techniques within a deep learning framework. This innovation enables the automatic detection and classification of bats, birds, and insects in thermal-imaging videos captured at wind turbine sites, facilitating efficient and accurate data analysis for enhanced understanding and mitigation of bat-wind turbine interactions.

AI↗