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NASA NTRS2019

Structure Deformation Calculation Program Based on Displacement Theory for Shape Predictions

Separated programs were written in C/C++ to validate the Displacement Transfer Functions. The Structure Deformation Calculation Program was written to combine all of the programs to calculate deformed shapes of a structure using surface strain data and structural geometrical parameters. Users do not need to know the material properties, nor the complex internal structures geometry because the Displacement Theory is purely geometrical in nature. Users only need to know the structure types as defined in this report and information such as the structure length, depth factors, number of strain sensors, and the surface strains measured at the strain-sensing stations installed on the structures. Depending on the structure type, an applicable Displacement Transfer Function will be used. This program requires two input files created by users; the recorded strain data file in comma-separated values format and the structure geometry data file in text format. The program will output the out-of-plane deflections, slopes, cross-sectional twist angles, and depth factors if applicable. All output files are created in comma-separated values format. A section in this report describes step-by-step procedures on how to use the Structure Deformation Calculation Program for structure deformed shape calculations.

Displacement theory↗

NASA NTRS2019

An ALMA+ACA measurement of the shock in the Bullet Cluster

Context: The thermal Sunyaev-Zeldovich (SZ) effect presents a relatively new tool for characterizing galaxy cluster merger shocks, traditionally studied through X-ray observations. Widely regarded as the “textbook example” of a cluster merger bow shock, the western, most-prominent shock front in the Bullet Cluster (1E0657-56) represents the ideal test case for such an SZ study. Aims: We aim to characterize the shock properties using deep, high-resolution interferometric SZ effect observations in combination with priors from an independent X-ray analysis. Methods: Our analysis technique relies on the reconstruction of a parametric model for the SZ signal by directly and jointly fitting data from the Atacama Large Millimeter/submillimeter Array (ALMA) and Atacama Compact Array (ACA) in Fourier space. Results: The ALMA+ACA data are primarily sensitive to the electron pressure difference across the shock front. To estimate the shock Mach number M, this difference can be combined with the value for the upstream electron pressure derived from an independent Chandra X-ray analysis. In the case of instantaneous electron-ion temperature equilibration, we find M = 2.08 (+0.12,−0.12), in ≈ 2.4σ tension with the independent constraint from Chandra, M(X)= 2.74 ± 0.25. The assumption of purely adiabatic electron temperature change across the shock leads to M = 2.53 (+0.33,−0.25), in better agreement with the X-ray estimate M(X) = 2.57 ± 0.23 derived for the same heating scenario. Conclusion: We have demonstrated that interferometric observations of the thermal SZ effect provide constraints on the properties of the shock in the Bullet Cluster that are highly complementary to X-ray observations. The combination of X-ray and SZ data yields a powerful probe of the shock properties, capable of measuring M and addressing the question of electron-ion equilibration in cluster shocks. Our analysis is however limited by systematics related to the overall cluster geometry and the complexity of the post-shock gas distribution. To overcome these limitations, a simultaneous, joint-likelihood analysis of SZ and X-ray data is needed.

Luca Di Mascolo↗

NASA NTRS2023

CFD Integrated Transition Modeling for High-Speed Flows via Coupled OVERFLOW-LASTRAC Analysis

This work details ongoing efforts at the NASA Langley Research Center to develop and validate a general-use CFD tool that includes built-in predictions of boundary-layer transition in high-speed flows. Existing tools for the coupling of the NASA OVERFLOW structured overset RANS solver and LASTRAC stability analysis code have been extended to capture boundary-layer transition in high-speed flows driven by either Mack’s first-mode or secondmode instabilities and/or crossflow instabilities. The efficacy of this coupled approach has been demonstrated by examining a variety of supersonic and hypersonic test cases for which experimental validation data is available. The intermittency prescription parameters inherited from prior low-speed applications are found to be suitable for some, but not all high-speed flow scenarios. The method is found to be robust for straight cone configurations and improvements necessary to accurately capture transition on geometries with spatially complex amplification factor envelopes with intermediate regions of slow N-factor variation are examined. The automated, coupled analysis is demonstrated for a 3d supersonic test case and found to perform well within the limits of the linear stability analysis on which it relies. Finally, a preliminary investigation of the method’s robustness to non-ideal CFD meshes is conducted.

High-speed flow↗

NASA NTRSDate not supplied

Scalability of GlennICE in a Parallel Environment

GlennICE (Glenn Icing Computational Environment) is a comptational tool designed to calculate ice growth on complex three- dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The most significant developments in the advancement of GlennICE have been investigating the convergence of the collection efficiency, efficiently finding trajectories, and improving the refinement methodology. Such developments have increased the efficiency of GlennICE for tractability in a practical engineering application. Although studies have demonstrated a reduction in the amount of work (memory footprint) required, research has yet to systematically investigate the effects of scaling GlennICE. This paper sets out to benchmark the scalability of GlennICE within a parallel environment and investigate if an increase in the number of processors result in a linear speed up.

Computational Icing↗

NASA NTRSDate not supplied

Bypass Duct Acoustic Liner Design With and Without Bifurcation Effects

The growth in air traffic and the commitment to sustainable aviation continue to provide new challenges to reducing aircraft noise levels. Acoustic liner design methodologies must therefore provide the capability to efficiently predict the acoustic benefits of novel liner configurations within complex aircraft nacelle geometries. With these observations in mind, a broadband acoustic liner optimization process has been developed and assessed through a series of design and experimental studies at increasing technology readiness levels. This work applies the design process to the aft-fan noise component and explores the effects of bypass duct bifurcations (e.g., the pylon and lower bifurcation). In addition to this new application, the design study is expanded to include the use of a commercially available duct propagation code. Despite the different general workflow for the two propagation codes, consistent optimized impedance spectra and in-duct attenuation predictions were obtained for several acoustic treatment options. The preliminary results are promising, and this work increases confidence in the enhanced broadband liner design methodology and lays the groundwork for complimentary use of the codes in future studies. The potential benefits of acoustic treatment on the upper and lower bifurcations are also demonstrated. The knowledge gained through this preliminary stage of the liner design process will be used to guide the identification of candidate liner designs for a proposed static engine test within the next year.

Acoustic Liner Design↗

NASA NTRSDate not supplied

Bypass Duct Acoustic Liner Design with and without Bifurcation Effects

Acoustic Liner Design↗

DOE OSTI2025

CFD Simulations of Lower Plenum Mixing

Review of model development and validation performed in the Advanced Reactor Technologies (ART) program for thermal mixing at the outlet of High Temperature Gas Reactors (HTGRs). Understanding the mixing that occurs in the lower plenum in an HTGR is necessary to facilitate design improvements and to perform reactor safety analysis. Numerical models are one possible approach to gain a better understanding of mixing in the lower plenum. Given the complexity of the geometry and the intense mixing present, it is important to perform validation of numerical models. Three models have been developed during FY2025: a porous media with Pronghorn, a Reynolds Averaged Navier Stokes (RANS) with STAR-CCM+, and a Large Eddy Simulation (LES) with NekRS. The reference facility is a scaled-down version of the lower plenum of the High Temperature Gas-Cooled Reactor - Pebble-bed Module (HTR-PM) demonstration reactor. Preliminary results of the porous media and the RANS shows general good agreement against experimental benchmark data. Future work will leverage high-fidelity results obtained through LES to guide model selection and improvements to the lower-fidelity models, with particular attention to the Pronghorn porous media.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Chemical and Radiological Compatibility Testing of 3D Printed Materials

To dramatically increase the adaptability, performance, and safety of processes in support of the Defense Waste Processing Facility (DWPF), Savannah River National Lab (SRNL) plans to perform chemical and radiological compatibility testing on a wide variety of 3D printed materials of interest. The 3D printing process provides numerous strategic operational benefits such as rapid prototyping of complex designs and geometry specific to the needs of the nuclear waste disposition process, as well as on-demand rapid prototyping and iteration with materials that aren’t as accessible through traditional manufacturing methods. Reaction chemistry in simulated waste batches can be matched closely to its radioactive counterpart, but glass reactor vessels have limitations. Vessel geometry can play a big factor in mixing transport limitations, process chemistry, and degradation reaction kinetics. In addition, additive manufacturing allows for much more detailed vessel design than traditional alternatives. Waste processing techniques in DWPF also encounter extreme chemical environments including high pH, strong acids, abrasive slurries, and significant irradiation. To meet these challenges, a matrix of various polymer, ceramic, and metal additive manufacturing materials have been exposed to a suite of chemical environments of interest as well as radioactive dose (such as gamma radiation from 60 Co) to properly test their durability under these conditions. Mass change has been monitored over a period of up to a week in these conditions, as well as added characterization for surface modification through Scanning Electron Microscopy/Electron Dispersive X-ray analysis (SEM/EDX). Further chemical characterization has been monitored through Fourier-Transform InfraRed Spectroscopy (FTIR), with planned investigation via thermal and tensile strength degradation. While the direct product of this research is identification of material(s) that can withstand specific hazardous environments encountered by the mercury water wash tank in DWPF process simulation experiments, the reference base of materials will be used for many other nuclear processes in the pursuit of rapidly developed, cost-efficient, and highly specific devices for environmental remediation and much more.

Wilson, Nathan W. [Savannah River National Laborat↗

NASA NTRS2012

Application of CART3D to Complex Propulsion-Airframe Integration with Vehicle Sketch Pad

Vehicle Sketch Pad (VSP) is an easy-to-use modeler used to generate aircraft geometries for use in conceptual design and analysis. It has been used in the past to generate metageometries for aerodynamic analyses ranging from handbook methods to Navier-Stokes computational fluid dynamics (CFD). As desirable as it is to bring high order analyses, such as CFD, into the conceptual design process, this has been difficult and time consuming in practice due to the manual nature of both surface and volume grid generation. Over the last couple of years, VSP has had a major upgrade of its surface triangulation and export capability. This has enhanced its ability to work with Cart3D, an inviscid, three dimensional fluid flow toolset. The combination of VSP and Cart3D allows performing inviscid CFD on complex geometries with relatively high productivity. This paper will illustrate the use of VSP with Cart3D through an example case of a complex propulsion-airframe integration (PAI) of an over-wing nacelle (OWN) airliner configuration.

Hahn, Andrew S.↗

NASA NTRS1993

Ultrasonic Polishing

The ultrasonic polishing process makes use of the high-frequency (ultrasonic) vibrations of an abradable tool which automatically conforms to the work piece and an abrasive slurry to finish surfaces and edges on complex, highly detailed, close tolerance cavities in materials from beryllium copper to carbide. Applications range from critical deburring of guidance system components to removing EDM recast layers from aircraft engine components to polishing molds for forming carbide cutting tool inserts or injection molding plastics. A variety of materials including tool steels, carbides, and even ceramics can be successfully processed. Since the abradable tool automatically conforms to the work piece geometry, the ultrasonic finishing method described offers a number of important benefits in finishing components with complex geometries.

Gilmore, Randy↗

NASA NTRS2006

Further Investigation of Acoustic Propagation Codes for Three-Dimensional Geometries

The ability to predict fan noise within complex three-dimensional aircraft engine nacelle geometries is a valuable tool in designing and assessing low-noise concepts. This work begins a systematic study to identify the areas of the design space in which propagation codes of varying fidelity may be used effectively to provide efficient design and assessment. An efficient lower-fidelity code is used in conjunction with two higher-fidelity, more computationally intensive methods to solve benchmark problems of increasing complexity. The codes represent a small sampling of the current propagation codes available or under development. Results of this initial study indicate that the lower-fidelity code provides satisfactory results for cases involving low to moderate attenuation rates, whereas, the two higher-fidelity codes perform well across the range of problems.

Nark, Douglas M.↗

NASA NTRS2005

An Investigation of Two Acoustic Propagation Codes for Three-Dimensional Geometries

The ability to predict fan noise within complex three-dimensional aircraft engine nacelle geometries is a valuable tool in studying low-noise designs. Recent years have seen the development of aeroacoustic propagation codes using various levels of approximation to obtain such a capability. In light of this, it is beneficial to pursue a design paradigm that incorporates the strengths of the various tools. The development of a quasi-3D methodology (Q3D-FEM) at NASA Langley has brought these ideas to mind in relation to the framework of the CDUCT-LaRC acoustic propagation and radiation tool. As more extensive three dimensional codes become available, it would seem appropriate to incorporate these tools into a framework similar to CDUCT-LaRC and use them in a complementary manner. This work focuses on such an approach in beginning the steps toward a systematic assessment of the errors, and hence the trade-offs, involved in the use of these codes. To illustrate this point, CDUCT-LaRC was used to study benchmark hardwall duct problems to quantify errors caused by wave propagation in directions far removed from that defined by the parabolic approximation. Configurations incorporating acoustic treatment were also studied with CDUCT-LaRC and Q3D-FEM. The cases presented show that acoustic treatment diminishes the effects of CDUCT-LaRC phase error as the solutions are attenuated. The results of the Q3D-FEM were very promising and matched the analytic solution very well. Overall, these tests were meant to serve as a step toward the systematic study of errors inherent in the propagation module of CDUCT-LaRC, as well as an initial test of the higher fidelity Q3D-FEM code.

Nark, D. M.↗

NASA NTRS1985

Application of the SWINT code to wing/body/tail geometries

Pressure and force calculations from the SWINT Euler code are presented and analyzed for a variety of configurations ranging from simple axisymmetric bodies to complex bodies with wings, tails, and inlets at speeds covering the supersonic Mach number range. The SWINT results are compared with both experimental data and with results from simpler computational methods to assess the increased accuracy from the Euler solution. It is shown that SWINT gives excellent results on axisymmetric bodies for attached flow; however, a better method of simulating the separation process on such bodies is needed for increased leeside accuracy. Good leeside accuracy, however, is found on a 3 to 1 elliptical body. It is shown that SWINT gives realistic downstream interference effects, resulting in good predictions of the overall aerodynamics for complex wing-body-tail geometries. The QUICK-geometry system has been coupled with SWINT code to provide a simplified geometry definition procedure for complex bodies. The QUICK method is shown to be a preferable alternative to the current method of inserting the body description directly into the code by FORTRAN statements.

Allen, J. M.↗

DOE OSTI2020

Cost-Effective Additive Manufacturing of Ambient Pressure-Dried Silica Aerogel

The conventional manufacturing processes for aerogel insulation materials mostly rely on the supercritical drying, which suffers from issues of massive energy consumption, high-cost equipment, and prolonged processing time. Considering the large market demand for the aerogel insulation material in the next decade, a cost-effective and scalable fabrication technique is highly desired. In this paper, a direct ink writing (DIW) method is used to three-dimensionally fabricate the silica aerogel insulation material, followed by room-temperature and ambient pressure drying. Compared with the supercritical drying and freeze-drying techniques, the reported method significantly reduces the fabrication time and costs. The cost-effective DIW technique offers the capability to print complex hollow internal structures, coupled with the porous aerogel structure, it is found to be beneficial for the thermal insulation property. In this work, the addition of fiber to the ink assures the durability of the fabricated product, without sacrificing the thermal insulation performance. The foam ink preparation methods and the printability are demonstrated in this paper, along with the printing of complex three-dimensional geometries. The thermal insulation performance of the printed objects is characterized, and the mechanical properties were also examined. The proposed approach is found to have a 56% reduction in the processing time. The printed silica aerogels exhibit a low thermal conductivity of 0.053 W m –1 K –1 .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Controlling Ligand Excimer Formation with Dipole Changes in Emissive Rare-Earth/Phosphonic Acid Complexes

The interactions between substituted arylvinyl phosphonic acid (AVPA) ligands within a Eu-AVPA complex are shown to influence the outcomes of excited state evolution after photoexcitation. Compared with unfunctionalized AVPAs, pairs of ligands functionalized with CF 3 in the para position preassociate in the ground state of complexes with Eu 3+ according to calculated geometry optimizations. The CF 3 -substituted AVPA complexes show evidence of red-shifted optical absorption and undergo more efficient excimer formation, as revealed by transient absorption spectroscopy. We rationalize this behavior through simulations of excited-state geometry optimizations that reveal evolution toward interligand phenyl-phenyl planarity for specific excited states. Emission from complexed Eu 3+ after energy transfer from the ligand is found to be weaker with CF 3 substitution, which we hypothesize is due to intracomplex, interligand aggregates with excimer-promoting geometries. These observations point to the need to consider ground-state geometries as well as dynamic excited-state processes to understand the flow of energy in rare earth coordination complexes.

09 BIOMASS FUELS↗

DOE OSTI2022

Multi-state Catalysts Modulated by Mechanical Force (Final Report)

The development of more efficient catalytic processes and new approaches to control catalytic activity and selectivity are central to the realization of more selective, atom economic, and energy efficient routes to value added chemicals and polymers. The reactivity and selectivity of a transition metal catalyst is intimately related to the ligand-sphere geometry and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another, resulting in sub-optimal efficiency. Macroscopic mechanical forces are both large, potentially much larger than interatomic forces, and are directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. As such, mechanical force represents a heretofore untapped approach to modulate catalyst geometry, with the potential to reversibly modulate catalyst geometry on the timescale of catalytic turnover or monomer enchainment. This project has addressed the fundamental challenges in material-to-molecule strain coupling associated with the development of a new class of mechanically responsive catalysts (mechanocatalysts) in which active organotransition metal catalysts are strategically embedded in a flexible polymer network such that application of external mechanical force (stretching or deformation) leads to modulation of catalyst geometry, and hence reactivity and selectivity. Our efforts during the tenure of this grant were directed toward the elucidation of force-reactivity relationships of elementary transformations that occur within the first coordination sphere of a transition metal complex employing stiff stilbene photoswitches tethered to a flexible bidentate phosphine ligand derived from MeOBiphep as molecular force probes which provide a range of compressive and extension forces to the coupled transition metal complex depending on the geometry of the stiff stilbene and length of the tethering chains. During the tenure of this grant, we have quantified the rate of C(sp 2 )-C(sp 2 ) reductive elimination from platinum(II) diaryl complexes containing bis(phosphine) force probe ligands as a function of mechanical force; compressive forces decreased the rate of reductive elimination whereas extension forces increased the rate relative to the strain-free MeOBiphep complex with a 3.4-fold change in rate over a ~290 pN range of restoring forces. In a similar manner, we have quantified the rate of oxidative addition of bromobenzene to low-ligated palladium(0) complexes containing force probe ligands as a function of mechanical force; compressive forces increase the rate of oxidative addition, whereas tensile forces decrease the rate with a ~6 fold change in rate across ~340 pN of force applied to the complexes. In both cases, experimental and computational analyses argue strongly against any significant force-induced perturbation of ground state geometry within the first coordination sphere of the reactant complexes. Rather, the force/rate behavior observed for these transformations across these ranges of forces is attributed to the coupling of force to the nuclear motion comprising the reaction coordinates for reductive elimination and oxidative addition. These results together inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle and suggest opportunities to experimentally map geometry changes associated with reactions in transition metal complexes and potential strategies for force-modulated catalysis.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

Dynamic responses of submerged components in advanced reactors: experimental and numerical studies

The seismic design of an advanced nuclear reactor must consider the interaction of vessel internal components with the surrounding coolant: fluid–structure interaction (FSI). Available analytical solutions for FSI of submerged components do not accommodate multiple-component, intense seismic inputs and complex reactor and internal geometries. Physical testing of reactor vessels and internals to inform seismic design is impractical and cost-prohibitive, leaving the use of verified and validated, robust numerical models as the only plausible option for analysis and design. Physical data that could be used for validating such numerical models for multi-component shaking are not available. This article describes an experimental program performed on a 6-degree-of-freedom earthquake simulator to generate data that could support validation of seismic FSI numerical models for submerged components in commercial finite element codes. A scaled model of a base-supported reactor vessel with simplified representations of submerged internals was tested to generate submerged-component response histories for a range of seismic inputs. The generated data were used to validate numerical models in the finite element code LS-DYNA. Numerical models were validated for calculation of hydrodynamic pressure responses on internals, in-water frequencies of internals, and acceleration responses of internals. The generated data and the analysis recommendations could aid engineering analysts designing submerged components and systems for seismic effects.

Engineering↗

NASA NTRS2006

Fuel-Air Mixing and Combustion in Scramjets

At flight speeds, the residence time for atmospheric air ingested into a scramjet inlet and exiting from the engine nozzle is on the order of a millisecond. Therefore, fuel injected into the air must efficiently mix within tens of microseconds and react to release its energy in the combustor. The overall combustion process should be mixing controlled to provide a stable operating environment; in reality, however, combustion in the upstream portion of the combustor, particularly at higher Mach numbers, is kinetically controlled where ignition delay times are on the same order as the fluid scale. Both mixing and combustion time scales must be considered in a detailed study of mixing and reaction in a scramjet to understand the flow processes and to ultimately achieve a successful design. Although the geometric configuration of a scramjet is relatively simple compared to a turbomachinery design, the flow physics associated with the simultaneous injection of fuel from multiple injector configurations, and the mixing and combustion of that fuel downstream of the injectors is still quite complex. For this reason, many researchers have considered the more tractable problem of a spatially developing, primarily supersonic, chemically reacting mixing layer or jet that relaxes only the complexities introduced by engine geometry. All of the difficulties introduced by the fluid mechanics, combustion chemistry, and interactions between these phenomena can be retained in the reacting mixing layer, making it an ideal problem for the detailed study of supersonic reacting flow in a scramjet. With a good understanding of the physics of the scramjet internal flowfield, the designer can then return to the actual scramjet geometry with this knowledge and apply engineering design tools that more properly account for the complex physics. This approach will guide the discussion in the remainder of this section.

Drummond, J. Philip↗