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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Advanced Methods for Aircraft Engine Thrust and Noise Benefits: Nozzle-Inlet Flow Analysis

In this project, we continue to develop the previous joint research between the Fluid Mechanics and Acoustics Laboratory (FM&AL) at Hampton University (HU) and the Jet Noise Team (JNT) at the NASA Langley Research Center (NASA LaRC). The FM&AL was established at Hampton University in June of 1996 and has conducted research under two NASA grants: NAG-1-1835 (1996-99), and NAG-1-1936 (1997-00). In addition, the FM&AL has jointly conducted research with the Central AeroHydrodynamics Institute (TsAGI, Moscow) in Russia under a Civilian Research and Development Foundation (CRDF) grant #RE2-136 (1996-99). The goals of the FM&AL programs are twofold: (1) to improve the working efficiency of the FM&AUs team in generating new innovative ideas and in conducting research in the field of fluid dynamics and acoustics, basically for improvement of supersonic and subsonic aircraft engines, and (2) to attract promising minority students to this research and training and, in cooperation with other HU departments, to teach them basic knowledge in Aerodynamics, Gas Dynamics, and Theoretical and Experimental Methods in Aeroacoustics and Computational Fluid Dynamics (CFD). The research at the HU FM&AL supports reduction schemes associated with the emission of engine pollutants for commercial aircraft and concepts for reduction of observables for military aircraft. These research endeavors relate to the goals of the NASA Strategic Enterprise in Aeronautics concerning the development of environmentally acceptable aircraft. It is in this precise area, where the US aircraft industry, academia, and Government are in great need of trained professionals and which is a high priority goal of the Minority University Research and Education (MUREP) Program, that the HU FM&AL can make its most important contribution. The main achievements for the reporting period in the development of concepts for noise reduction and improvement in efficiency for jet exhaust nozzles and inlets for aircraft engines are as follows: (1) Publications- The AIAA Paper #99-1924 has been presented at the 5th AIAA/CEAS Aeroacoustics Conference, May 10-12, 1999, Seattle, WA; the AIAA Paper #00-3315 has been accepted for the 36th AIAA/ASME/ SAE/ASEE Joint Propulsion Conference, 17-19 July, 2000, Huntsville, AL; and another paper has been accepted for the International Environmental Congress, 14-16 June, 2000, St.-Petersburg, Russia. (2) Two patents were granted on July 20, 1999, and January 12, 2000. (3) Three reports/presentations at the NASA LaRC and GRC (06/22199, 09/26/ 99, and 06/25/00). (4) Grants and Proposals: Four proposals were submitted to the NASA and CRDF; a NASA Faculty Award was granted on January, 2000. A CRDF Young Investigator Program Award was granted for a 3 months visit of the Russian scientist to the HU FM&AL (03/99-05/99). (5) Theory and Numerical Simulations- Analytical theory, numerical simulation, comparison of theoretical with experimental results, and modification of theoretical approaches, models, grids etc. have been conducted for several complicated 2D and 3D nozzle and inlet designs using NASA codes based on full Euler and Navier-Stokes solvers: CFL3D, CRAFT, GODUNOV, and others. New approach for environmental monitoring via infrasound. (6) Experimental Tests: Experimental acoustic tests at the TsAGI, Moscow, with nozzles having Screwdriver or Axisymmetric Plug and Permeable Shells. A small scale working model of the NASA Low Speed Wind Tunnel (LSWT) has been installed in the Experimental Hall of the HU FM&AL (June, 1999). Preliminary preparations for experimental tests were made. (7) Students Research Activity: Involvement of the two graduate students as research assistants in the current research project.

Gilinsky, Mikhail↗
NASA NTRS1989

Numerical solutions of forward-flight rotor flow using an upwind method

A finite-volume upwind algorithm for solving the 3-D Euler equations with a moving grid has been developed for computing helicopter forward-flight rotor flows. The computed pressure distributions and shock positions of high-speed rotor flow are compared with various experimental data as well as with other numerical results, and the agreement is encouraging. A comparison of quasi-steady solutions with unsteady solutions reveals that when a shock occurs in the flowfield, the assumption of quasi-steady flow may fail due to the time-lag of the shock motion. Similarly, three-dimensional effects cannot be neglected. Sufficient subiterations for each time step are required to avoid numerical lag effects in using the present method. The redistribution of the residual due to the coordinate transformation is discussed. For high-order MUSCL-type schemes, a coordinate-independent solution can be obtained by interpolating primitive variables.

Chen, C. L.↗
NASA NTRS2024

Real-Time Temperature Field State Observer and Digital Replica to Support Cyber-Physical Testing

Cyber-physical testing is a class of experimental methods in which a system is partitioned into physical and numerical components to study its overall behavior. Transfer systems are typically needed to capture relevant interactions by enforcing appropriate interface conditions between the physical and numerical portions. While cyber-physical testing is often performed using lumped-parameter systems, thermomechanical cyber-physical testing requires the use of thermal actuators as transfer systems to apply a thermal condition over a spatially distributed region or surface. Thus, the interactions between the numerical and physical components are of a distributed nature, i.e., a field rather than point values. In this paper, we develop and experimentally validate a state observer for temperature fields to enable thermomechanical cyber-physical testing. The state observer provides continuous estimates of temperature over a surface of the thermal actuator using only temperature measurements at discrete locations. The estimated temperature field is then leveraged to account for localized mechanical defects in the interface condition. The method consists of building a digital replica of one portion of the control plant. By imposing defects in the digital replica it is used to generate and output the response of a thermal load pattern that represents that of a physical system with mechanical defects.

Manuel Salmeron↗
NASA NTRS1990

Analysis and prediction of tilt rotor hover noise

This paper presents new and improved tilt rotor hover noise prediction methods. Calculations include both discrete frequency harmonic noise and broadband noise mechanisms due to the ground plane/fountain recirculating flow. The noise mechanisms studied are thickness, loading, and inflow turbulence noise. In each case aeroacoustic models are developed and compared to noise measurements obtained experimentally for the XV-15 experimental tilt rotor aircraft. Both the effects of the mean and the turbulent fountain flows are found to be important noise sources and have strongly directional radiation patterns toward the rear of the aircraft (the direction of the rotor motion through the fountain flow). Calculations also show that the noise generated by the inflow of ambient atmospheric turbulence can also be an important noise source in hover in some directions. Further development of the methods and models, and precise information about the fountain flow, are needed to improve the predictions and to initiate noise minimization studies.

Coffen, Charles D.↗
NASA NTRS1993

Jet Engine hot parts IR Analysis Procedure (J-EIRP)

A thermal radiation analysis method called Jet Engine IR Analysis Procedure (J-EIRP) was developed to evaluate jet engine cavity hot parts source radiation. The objectives behind J-EIRP were to achieve the greatest accuracy in model representation and solution, while minimizing computer resources and computational time. The computer programs that comprise J-EIRP were selected on the basis of their performance, accuracy, and flexibility to solve both simple and complex problems. These programs were intended for use on a personal computer, but include the ability to solve large problems on a mainframe or supercomputer. J-EIRP also provides the user with a tool for developing thermal design experience and engineering judgment through analysis experimentation, while using minimal computer resources. A sample jet engine cavity analysis demonstrates the procedure and capabilities within J-EIRP, and is compared to a simplified method for approximating cavity radiation. The goal is to introduce the terminology and solution process used in J-EIRP and to provide insight into the radiation heat transfer principles used in this procedure.

Baumeister, Joseph F.↗
DOE OSTI2024

Benchmarking characterization methods for noisy quantum circuits

Effective methods for characterizing the noise in quantum computing devices are essential for programming and debugging circuit performance. Existing approaches vary in the information obtained as well as the amount of quantum and classical resources required, with more information generally requiring more resources. Here we benchmark the characterization methods of gate set tomography, Pauli channel noise reconstruction, and empirical direct characterization for developing models that describe noisy quantum circuit performance on a 27-qubit superconducting transmon device. We evaluate these models by comparing the accuracy of noisy circuit simulations with the corresponding experimental observations. Here, we find that the agreement of noise model to experiment does not correlate with the information gained by characterization and that the underlying circuit strongly influences the best choice of characterization approach. Empirical direct characterization scales best of the methods we tested and produced the most accurate characterizations across our benchmarks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A Moving Embedded Boundary Approach for the Compressible Navier-Stokes Equations in a Block-Structured Adaptive Refinement Framework

A computational technique has been developed to perform compressible flow simulations involving moving boundaries using an embedded boundary approach within the block-structured adaptive mesh refinement (SAMR) framework of AMReX [1], [91], [92]. We leverage the SAMR capability to obtain quantitatively accurate results whilst using robust, second-order finite volume schemes. A conservative, unsplit, cut-cell approach is utilized and a ghost-cell approach is developed for computing the flux on the moving, embedded boundary faces. A third-order least-squares formulation has been developed to compute the wall velocity gradients, and was found to significantly improve the performance of the solver in terms of the quantitative comparison of surface quantities such as the skin friction coefficient. Various test cases are performed to validate the method, and compared with analytical, experimental, and other numerical results in literature. Inviscid and viscous test cases are performed that span a wide regime of flow speeds - acoustic (harmonically pulsating sphere), smooth flows (expansion fan created by a receding piston) and flows with shocks (shock-cylinder interaction, shock-wedge interaction, pitching NACA 0012 airfoil and shock-cone interaction). A closed system with moving boundaries - an oscillating piston in a cylinder, showed that the percentage error in mass within the system decreases with refinement, demonstrating that the numerical scheme is conservative with grid refinement, but is not discretely conservative. Viscous test cases involve that of a horizontally moving cylinder at Re = 40, an inline oscillating cylinder at Re = 100, and a transversely oscillating cylinder at Re = 185. The judicious use of adaptive mesh refinement with appropriate refinement criteria to capture the regions of interest leads to well-resolved flow features, and good quantitative comparison is observed with the results available in literature.

adaptive refinement↗
NASA NTRS2018

Numerical and Experimental Examination of Turbulent Mixing of a Heated Jet in Crossflow

The injection of fully-developed turbulent heated air from a tube into a cooler turbulent duct flow is examined, as an analogy to film cooled turbine blades. A LES numerical model is developed and applied in which tube and duct turbulence inflow effects are emulated using a divergence-free synthetic eddy method (SEM). For direct comparison, a hot-wire experiment is conducted within the ERB test cell SW-6 at NASA Glenn Research Center. Results related to velocity, temperature, and heat flux are obtained numerically and experimentally for a blowing ratio of 1.2, involving a 36 K temperature difference. The relative effect on the solutions of tube and duct inflow turbulence is systematically evaluated. The impact of inherent low-pass filtering of temperature measurements and probe wire offset on the experimental results are addressed.

Large Eddy Simulation↗
DOE OSTI2024

Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data

Abstract Surface segregation, whereby the surface composition of an alloy differs systematically from the bulk, has historically been hard to study, because it requires experimental and modeling methods that span alloy composition space. In this work, we study surface segregation in catalytically relevant noble and platinum‐group metal alloys with a focus on three ternary systems: AgAuCu, AuCuPd, and CuPdPt. We develop a data set of 2478 fcc slabs with those compositions including all three low‐index crystallographic orientations relaxed with Density Functional Theory using the PBEsol functional with D3 dispersion corrections. We fine‐tune a machine learning model on this data and use the model in a series of 1800 Monte Carlo simulations spanning ternary composition space for each surface orientation and ternary chemical system. The results of these simulations are validated against prior experimental surface segregation data collected using composition spread alloy films for AgAuCu and AuCuPd. Our findings reveal that simulations conducted using the (110) orientation most closely match experimentally observed surface segregation trends, and while predicted trends qualitatively match observation, biases in the PBEsol functional limit numeric accuracy. This study advances understanding of surface segregation and the utility of computational studies and highlights the need for further improvements in simulation accuracy.

Chemistry↗
DOE OSTI2022

Machine learning enabling high-throughput and remote operations at large-scale user facilities

Imaging, scattering, and spectroscopy are fundamental in understanding and discovering new functional materials. Contemporary innovations in automation and experimental techniques have led to these measurements being performed much faster and with higher resolution, thus producing vast amounts of data for analysis. These innovations are particularly pronounced at user facilities and synchrotron light sources. Machine learning (ML) methods are regularly developed to process and interpret large datasets in real-time with measurements. However, there remain conceptual barriers to entry for the facility general user community, whom often lack expertise in ML, and technical barriers for deploying ML models. Herein, we demonstrate a variety of archetypal ML models for on-the-fly analysis at multiple beamlines at the National Synchrotron Light Source II (NSLS-II). We describe these examples instructively, with a focus on integrating the models into existing experimental workflows, such that the reader can easily include their own ML techniques into experiments at NSLS-II or facilities with a common infrastructure. The framework presented here shows how with little effort, diverse ML models operate in conjunction with feedback loops via integration into the existing Bluesky Suite for experimental orchestration and data management.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Imaging doxorubicin and polymer-drug conjugates of doxorubicin-induced cardiotoxicity with bispecific anti-myosin-anti-DTPA antibody and Tc-99m-labeled polymers

Background: Radiolabeled anti-myosin imaging is well-established for imaging doxorubicin-induced cardiotoxicity. However, to enable imaging of drug-induced cardiotoxicity in small experimental animals, pretargeting with bispecific anti-myosin-anti-DTPA-Fab-Fab’ and targeting with high-specific radioactivity Tc-99m-DTPA-succinylated-polylysine (DSPL) was developed. Methods: Mice were injected biweekly with 10 mg/kg Dox or its equivalent as D-Dox-PGA. Tc-99m-DSPL myocardial activity after pretargeting with bsAb-Fab-Fab’ was determined after gamma imaging performed at day 7 for Dox-treated mice and day 39 for all others. Results: Mice treated with 10 mg/kg Dox lost 10% total body weight in 1 week and 20% after a second dose. Pretargeted mice treated with 30 mg/kg cumulative D-Dox-PGA dose showed no loss of body weight for the duration of the study. Cardiotoxicity was confirmed by gamma imaging and scintillation counting (1.9 ± 0.25 [mean% ID/g ± SD]) after 1 dose of Dox. Mice injected with 3 × 10 mg/kg Dox equivalent as D-Dox-PGA (0.4 ± 0.04, P < .01) and untreated 2 control groups (0.20 ± 0.05 and 0.19 ± 0.04, P < .01) showed significantly lower myocardial anti-myosin radioactivity relative to the 10 mg/kg Dox group. Conclusion: Pretargeting with bsAb-Fab-Fab’ and targeting with Tc-99m labeled high-specific activity polymers enabled early visualization of doxorubicin induce cardiotoxicity in mice. Tolerated dose of D-Dox-PGA was greater than to 30 mg/kg Dox-equivalent dose with minimal cardiotoxicity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Mass transport analysis for tritium removal in FHRs

Tritium control and mitigation is one of the most significant issues in Fluoride Salt-cooled Hightemperature Reactors (FHRs). To address this issue, a cross-flow tritium removal facility has been proposed to remove molecular tritium, T 2 , from the primary coolant. To model the performance of the design, a method is developed based on the logarithmic mean difference of the square root of the tritium partial pressures on the upstream side and the purging gas side. A computer code has been developed based on this global analysis method to study the effectiveness of tritium removal in such a cross-flow tritium removal facility. The code is benchmarked against experimental data from a hydrogen separation experiment in the literature and compared with the results from a code based on traditional finite volume method. Evaluation of the cross-flow tritium removal facility designed for FHR systems has also been performed. The results show how the key factors, i.e., the fluid flow rates and tritium inlet concentration affect the performance of the facility.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Evaluation of adsorption and mechanical strength of 13X zeolite mixtures with phyllosilicate binders using molecular dynamics simulation and positron annihilation spectroscopy

There is growing interest in developing zeolites with novel internal structures that have optimal adsorptive capacity and high mechanical strength, while offering advantages, such as being light weight. We integrate computational and experimental methods to explore the effect of binder/zeolite types, and weight percentages on the mechanical strength of 13X zeolite and adsorption capacities of N 2 , H 2 O, and CO 2 for additive manufacturing (AM) applications with the goal of maximizing both adsorption and strength. Zeolite 13X mixtures and phyllosilicate binders (either bentonite or kaolin) are combined using molecular dynamics (MD) simulations to create structures with various binder/zeolite weight percentages. Further, adsorption capabilities and mechanical strength are assessed using the grand canonical Monte Carlo (GCMC) and ReaxFF modules, respectively. Our modeling shows that an optimized zeolite/binder ratio for N 2 adsorption is around 15 wt% for kaolin and roughly 10 wt% for bentonite. The resulting parameters can be applied to facilitate macro-scale computational fluid dynamics (CFD) and finite element method (FEM) simulations of an AM zeolite structure. We also performed Positron Annihilation Lifetime Spectroscopy (PALS) measurements on zeolite samples to explore the effect of changes in the internal volume. The results show an inverse relationship between the free volume and the solid loading and adding a binder changes the morphology of the zeolite-binder compound and decreases open-volume area significantly.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Control of wakefield in sub-THz dielectric-lined waveguides using multiple-bunch excitation

Beam-driven wakefield accelerators offer the potential to achieve accelerating fields approaching the sub-GV/m range, paving the way for compact and cost-effective next-generation high-energy colliders. This method typically employs a two-bunch system: a drive bunch that excites an electromagnetic wakefield in a solid-state or plasma medium, and a witness bunch that extracts energy from the wake for acceleration. Our research focuses on two key challenges in wakefield acceleration using structures. First, we investigate strategies to suppress transverse instabilities by employing non-cylindrical geometries that damp dipole modes. Second, we explore methods to precisely terminate the wakefield after the interaction region, thereby improving the efficiency of energy transfer. This paper presents detailed simulation results and the corresponding experimental design developed to validate these concepts. Furthermore, the proposed experiment will be carried out at the Argonne Wakefield Accelerator (AWA) facility, focusing on controlling wakefield duration through tailored drive and witness bunch configurations and evaluating dielectric-lined structures with non-cylindrical cross sections.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Development of a continuous synthesis process for carbamazepine using validated in-line Raman spectroscopy and kinetic modelling for disturbance simulation

Mitigation of failure modes in the continuous synthesis (CS) of a drug substance (DS) has the potential to widen the adoption of continuous manufacturing (CM) technologies by the pharmaceutical industry. Here, this work demonstrates the development of a robust continuous process for the synthesis of carbamazepine (CBZ), an essential medicine as per the World Health Organization (WHO), facilitated by kinetic modelling and monitored by in-line Raman spectroscopy. Accurate kinetic modelling and the use of validated process analytical technology (PAT) models for quantitative measurement were found to play an important role in developing CS of drug substances. Kinetic data for the formation of CBZ from iminostilbene (ISB) were collected by batch reaction sampling and high-performance liquid chromatography (HPLC) analysis. A non-linear solver and iterative method was applied to determine two sets of Arrhenius parameters simultaneously for the reaction system by minimizing the standard error of the model fit. The start-up and dynamic equilibrium stages for the CS of CBZ using a continuous stirred tank reactor (CSTR) were modelled based on the batch kinetic data and employed to optimize conversion and simulate process disturbances. An in-line Raman spectroscopy method was successfully developed, validated, and integrated to determine the concentrations of CBZ and ISB within the operating range for the CS. The CS kinetic model was evaluated experimentally from startup to dynamic equilibrium over 10 residence times with monitoring by HPLC and in-line Raman spectroscopy. The developed kinetic model in tandem with in-line Raman spectroscopy successfully predicted disturbances due to changes in process variables and can serve as a useful tool in the future design of advanced process control strategies for the continuous synthesis of CBZ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Abstract BindingDB (bindingdb.org) is a public, web-accessible database of experimentally measured binding affinities between small molecules and proteins, which supports diverse applications including medicinal chemistry, biochemical pathway annotation, training of artificial intelligence models and computational chemistry methods development. This update reports significant growth and enhancements since our last review in 2016. Of note, the database now contains 2.9 million binding measurements spanning 1.3 million compounds and thousands of protein targets. This growth is largely attributable to our unique focus on curating data from US patents, which has yielded a substantial influx of novel binding data. Recent improvements include a remake of the website following responsive web design principles, enhanced search and filtering capabilities, new data download options and webservices and establishment of a long-term data archive replicated across dispersed sites. We also discuss BindingDB’s positioning relative to related resources, its open data sharing policies, insights gleaned from the dataset and plans for future growth and development.

Liu, Tiqing↗
DOE OSTI2022

Thermal Stress Reduction in Power Switching Devices Using Distributed Loss PWM Concept for Current Source Inverters

A new modulation scheme is proposed for current source inverters (CSIs) that reduces the variation and peak junction temperature in the CSIs' power devices. The distributed loss pulse-width modulation (DLM) concept is introduced and applied to traditional space vector modulation methods to develop modified modulation schemes that reduce the thermal stress on power devices. The device junction temperatures resulting from conventional and DLM schemes are compared. Simulation and experimental results confirm that the proposed DLM concept reduces thermal stress on the devices while maintaining the same high output current waveform quality compared to traditional CSI modulation schemes. The CSI power device lifetime (i.e., the number of cycles to failure) are estimated using the simulation and experimental results. The proposed DLM significantly increases the device lifetime (by 5 to 6 times) by reducing the junction temperature variation compared to the conventional modulations.

42 ENGINEERING↗
DOE OSTI2023

Detection and Calibration of Low-Energy Nuclear Recoils for Dark Matter and Neutrino Scattering Experiments

Detection of low-energy nuclear recoil events plays a central role in searches for particle dark matter interactions with atomic matter and studies of coherent neutrino scatters. Precise nuclear recoil calibration data allow the responses of these dark matter and neutrino detectors to be characterized and enable in situ evaluation of an experiment's sensitivity to anticipated signals. This article reviews the common methods for detection of nuclear recoil events and the wide variety of techniques that have been developed to calibrate detector response to nuclear recoils. We summarize the main experimental factors that are critical for accurate nuclear recoil calibrations, investigate mitigation strategies for different backgrounds and biases, and discuss how the presentation of calibration results can facilitate comparison between experiments. Lastly, we discuss the challenges for future nuclear recoil calibration efforts and the physics opportunities they may enable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗