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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 559 records · Page 31

Incorporating bubble growth volume feedback to improve simulation of the response of a structure containing liquid and gas to sudden energy input

The SNS target module is a stainless-steel structure that contains and directs mercury. The mercury is struck with short, intense proton pulses to create neutrons. The pulses deposit energy and cause loads on the target structure and mercury cavitation. Helium bubbles are introduced into the mercury to reduce loads and cavitation. This gas complicates the prediction of the target module’s physical response. The current method used to simulate the structural response to the proton pulse incorporates a simple but effective approach to approximate mercury cavitation effects. This method cannot account for the changes from injected non-condensable gas. The ability to model the target vessel response is a prerequisite for estimating its life. Known approaches for simulating a bubbly fluid mixture’s response are computationally expensive and impractical for detailed engineering models. A constitutive model is proposed for target mercury with injected gas bubbles, with the intent of providing more accurate mercury–vessel response behavior without the computing costs required to track individual bubbles. The model’s assumptions and a computational model embodiment are described. The bubbly mercury computational model is subjected to test problems to assess its potential utility. Here, the model was able to better predict the effect of gas on wave propagation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development of Slat-gap and Slat-cove Filler Treatments for Noise Reduction Assessment on the High Lift Common Research Model in the NASA LaRC 14x22

Airframe noise is an important issue during the approach and landing phases of flight because engines are throttled back, and airframe sources become an equal or greater contributor to environmental noise. The leading-edge slat component of the high-lift system for transport aircraft has been identified as a prominent source of airframe noise. Noise production mechanisms and potential treatments to mitigate airframe noise have been areas of active research for nearly three decades. Two promising technologies for slat noise reduction are the slat-gap filler (SGF) and slat-cove filler (SCF). Previous work was done using a 2D section of a transport class aircraft wing to demonstrate their feasibility via benchtop and computational models. A wind tunnel test campaign was recently undertaken to test the SGF and SCF technologies in a flight-like environment by installing dynamically scaled treatments on the 10%-scale High-Lift Common Research Model (CRM-HL), which is representative of a commercial twin-aisle transport aircraft. Advancement of the SGF and SCF technologies to overcome challenges of integration with 3D airframe structures, computational simulations of the CRM-HL predicting the aerodynamic and aeroacoustic performance and structural loads, and design of wind tunnel model hardware with features accommodating noise treatments were conducted in parallel. Details of innovations in the SGF and SCF technologies for 3D airframe feasibility will be described. The loads the treatments must sustain in flight and the influence of those loads on the design is also discussed. Finally, the design of wing leading-edge assemblies to treat the 10% CRM-HL with dynamically scaled SGF and SCF components is presented. The treatments were successfully tested in 2020/2021 providing a demonstration of leading-edge noise reduction using components that would allow slat articulation.

airframe noise reduction↗

EM counterparts of structured jets from 3D GRMHD simulations

ABSTRACT GW170817/GRB170817A has offered unprecedented insight into binary neutron star post-merger systems. Its Prompt and afterglow emission imply the presence of a tightly collimated relativistic jet with a smooth transverse structure. However, it remains unclear whether and how the central engine can produce such structured jets. Here, we utilize 3D general relativistic magnetohydrodynamic simulations starting with a black hole surrounded by a magnetized torus with properties typically expected of a post-merger system. We follow the jet, as it is self-consistently launched, from the scale of the compact object out to more than three orders of magnitude in distance. We find that this naturally results in a structured jet, which is collimated by the disc wind into a half-opening angle of roughly 10°; its emission can explain features of both the prompt and afterglow emission of GRB170817A for a 30° observing angle. Our work is the first to compute the afterglow, in the context of a binary merger, from a relativistic magnetized jet self-consistently generated by an accreting black hole, with the jet’s transverse structure determined by the accretion physics and not prescribed at any point.

Kathirgamaraju, Adithan (ORCID:000000028560692X)↗

Structural stability and artificial buckling modes in topology optimization

Abstract This paper demonstrates how a strain energy transition approach can be used to remove artificial buckling modes that often occur in stability constrained topology optimization problems. To simulate the structural response, a nonlinear large deformation hyperelastic simulation is performed, wherein the fundamental load path is traversed using Newton’s method and the critical buckling load levels are estimated by an eigenvalue analysis. The goal of the optimization is to minimize displacement, subject to constraints on the lowest critical buckling loads and maximum volume. The topology optimization problem is regularized via the Helmholtz PDE-filter and the method of moving asymptotes is used to update the design. The stability and sensitivity analyses are outlined in detail. The effectiveness of the energy transition scheme is demonstrated in numerical examples.

Dalklint, Anna (ORCID:0000000346195205)↗

Progressive Fracture of Fiber Composite Thin Shell Structures Under Internal Pressure and Axial Loads

Graphite/epoxy composite thin shell structures were simulated to investigate damage and fracture progression due to internal pressure and axial loading. Defective and defect-free structures (thin cylinders) were examined. The three different laminates examined had fiber orientations of (90/0/+/-0)(sub s), where 0 is 45, 60, and 75 deg. CODSTRAN, an integrated computer code that scales up constituent level properties to the structural level and accounts for all possible failure modes, was used to simulate composite degradation under loading. Damage initiation, growth, accumulation, and propagation to fracture were included in the simulation. Burst pressures for defective and defect-free shells were compared to evaluate damage tolerance. The results showed that damage initiation began with matrix failure whereas damage and/or fracture progression occurred as a result of additional matrix failure and fiber fracture. In both thin cylinder cases examined (defective and defect-free), the optimum layup configuration was (90/0/+/-60)(sub s) because it had the best damage tolerance with respect to the burst pressure.

Gotsis, Pascal K.↗

Understanding the dynamic evolution of atomically dispersed Cu catalyst for CO 2 electrochemical conversion using integrated XANES analysis and mechanistic studies

Direct electrochemical conversion of CO 2 to ethanol (CH 3 CH 2 OH) offers a promising strategy to lower CO 2 emission while storing energy from renewable electricity. Our recent study reported a carbon-supported atomically dispersed Cu catalyst that achieved the highest reported selectivity for CH 3 CH 2 OH formation (91%) at a relatively low potential (-0.6 V), however, the active site structure that is responsible for such high activity and selectivity has yet to be understood. Here, in this paper, we demonstrate a computational investigation combining X-ray absorption near edge structure (XANES) simulations and a mechanistic study via density functional theory (DFT) to understand the catalyst structures of this Cu catalyst during electrocatalysis and the corresponding reaction mechanisms of the key products. An integrated computational and experimental XANES analysis depicted the dynamic evolution of the catalytic site during electrocatalysis. The as-prepared, atomically dispersed Cu catalyst aggregates and forms metallic clusters/nanoparticles under electrochemical condition, which then break down to smaller oxidized clusters after electrocatalysis. The formed Cu clusters/nanoparticles showed distinct catalytic activity and selectivity as a function of particle size based on the mechanistic investigation using DFT, which is consistent with experimental observations for catalyst samples with different Cu loadings. This comprehensive study which combines experimental and computational XANES investigation, mechanistic study via DFT calculations, and experimental performance of the catalysts, provides unprecedented dynamic and mechanistic insights into the supported atomically dispersed metal catalysts for CO 2 reduction. Such strategy and details gained can further guide discovery of novel catalyst materials for CO 2 electrochemical reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Preferential Paths of Air-water Two-phase Flow in Porous Structures with Special Consideration of Channel Thickness Effects

Accurate understanding and predicting the flow paths of immiscible two-phase flow in rocky porous structures are of critical importance for the evaluation of oil or gas recovery and prediction of rock slides caused by gas-liquid flow. A 2D phase field model was established for compressible air-water two-phase flow in heterogenous porous structures. The dynamic characteristics of air-water two-phase interface and preferential paths in porous structures were simulated. The factors affecting the path selection of two-phase flow in porous structures were analyzed. Transparent physical models of complex porous structures were prepared using 3D printing technology. Tracer dye was used to visually observe the flow characteristics and path selection in air-water two-phase displacement experiments. The experimental observations agree with the numerical results used to validate the accuracy of phase field model. The effects of channel thickness on the air-water two-phase flow behavior and paths in porous structures were also analyzed. The results indicate that thick channels can induce secondary air flow paths due to the increase in flow resistance; consequently, the flow distribution is different from that in narrow channels. This study provides a new reference for quantitatively analyzing multi-phase flow and predicting the preferential paths of immiscible fluids in porous structures.

42 ENGINEERING↗

ATDM/ECP Milestone Memo WBS 2.3.4.04 / SNL ATDM Data and Visualization Projects STDV04-21 - [MS1/YR2] Q3: Prototype Catalyst/ParaView in-situ viz for unsteady RV flow on ATS-1

ParaView Catalyst is an API for accessing the scalable visualization infrastructure of ParaView in an in-situ context. In-situ visualization allows simulation codes to access data post-processing operations while the simulation is running. In-situ techniques can reduce data post-processing time, allow computational steering, and increase the resolution and frequency of data output. For a simulation code to use ParaView Catalyst, adapter code needs to be created that interfaces the simulations data structures to ParaView/VTK data structures. Under ATDM, Catalyst is to be integrated with SPARC, a code used for simulation of unsteady reentry vehicle flow.

97 MATHEMATICS AND COMPUTING↗

Recent developments of the NESSUS probabilistic structural analysis computer program

The NESSUS probabilistic structural analysis computer program combines state-of-the-art probabilistic algorithms with general purpose structural analysis methods to compute the probabilistic response and the reliability of engineering structures. Uncertainty in loading, material properties, geometry, boundary conditions and initial conditions can be simulated. The structural analysis methods include nonlinear finite element and boundary element methods. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. The scope of the code has recently been expanded to include probabilistic life and fatigue prediction of structures in terms of component and system reliability and risk analysis of structures considering cost of failure. The code is currently being extended to structural reliability considering progressive crack propagation. Several examples are presented to demonstrate the new capabilities.

Millwater, H.↗

Probabilistic structural analysis algorithm development for computational efficiency

The PSAM (Probabilistic Structural Analysis Methods) program is developing a probabilistic structural risk assessment capability for the SSME components. An advanced probabilistic structural analysis software system, NESSUS (Numerical Evaluation of Stochastic Structures Under Stress), is being developed as part of the PSAM effort to accurately simulate stochastic structures operating under severe random loading conditions. One of the challenges in developing the NESSUS system is the development of the probabilistic algorithms that provide both efficiency and accuracy. The main probability algorithms developed and implemented in the NESSUS system are efficient, but approximate in nature. In the last six years, the algorithms have improved very significantly.

Wu, Y.-T.↗

Effective Simulation of Delamination in Aeronautical Structures Using Shells and Cohesive Elements

A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

Davila, Carlos G.↗

Probabilistic Structural Analysis Program

NASA/NESSUS 6.2c is a general-purpose, probabilistic analysis program that computes probability of failure and probabilistic sensitivity measures of engineered systems. Because NASA/NESSUS uses highly computationally efficient and accurate analysis techniques, probabilistic solutions can be obtained even for extremely large and complex models. Once the probabilistic response is quantified, the results can be used to support risk-informed decisions regarding reliability for safety-critical and one-of-a-kind systems, as well as for maintaining a level of quality while reducing manufacturing costs for larger-quantity products. NASA/NESSUS has been successfully applied to a diverse range of problems in aerospace, gas turbine engines, biomechanics, pipelines, defense, weaponry, and infrastructure. This program combines state-of-the-art probabilistic algorithms with general-purpose structural analysis and lifting methods to compute the probabilistic response and reliability of engineered structures. Uncertainties in load, material properties, geometry, boundary conditions, and initial conditions can be simulated. The structural analysis methods include non-linear finite-element methods, heat-transfer analysis, polymer/ceramic matrix composite analysis, monolithic (conventional metallic) materials life-prediction methodologies, boundary element methods, and user-written subroutines. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. NASA/NESSUS 6.2c is structured in a modular format with 15 elements.

Pai, Shantaram S.↗

Acoustically Tailored Composite Rotorcraft Fuselage Panels

A rotorcraft roof sandwich panel has been redesigned to optimize sound power transmission loss (TL) and minimize structure-borne sound for frequencies between 1 and 4 kHz where gear meshing noise from the transmission has the most impact on speech intelligibility. The roof section, framed by a grid of ribs, was originally constructed of a single honeycomb core/composite face sheet panel. The original panel has coincidence frequencies near 700 Hz, leading to poor TL across the frequency range of 1 to 4 kHz. To quiet the panel, the cross section was split into two thinner sandwich subpanels separated by an air gap. The air gap was sized to target the fundamental mass-spring-mass resonance of the double panel system to less than 500 Hz. The panels were designed to withstand structural loading from normal rotorcraft operation, as well as 'man-on-the-roof' static loads experienced during maintenance operations. Thin layers of VHB 9469 viscoelastomer from 3M were also included in the face sheet ply layups, increasing panel damping loss factors from about 0.01 to 0.05. Measurements in the NASA SALT facility show the optimized panel provides 6-11 dB of acoustic transmission loss improvement, and 6-15 dB of structure-borne sound reduction at critical rotorcraft transmission tonal frequencies. Analytic panel TL theory simulates the measured performance quite well. Detailed finite element/boundary element modeling of the baseline panel simulates TL slightly more accurately, and also simulates structure-borne sound well.

Hambric, Stephen↗

Structured Overset and Unstructured Grid Simulations for the Third AIAA Sonic Boom Prediction Workshop

Predictions using the Launch Ascent and Vehicle Aerodynamics (LAVA) Unstructured and Structured Curvilinear solvers for the Biconvex and C608 geometries are compared in support of the 3rd AIAA Sonic Boom Prediction workshop. Description of the mesh generation techniques and numerical methods are provided along with a comparison of nearfield and far-field predictions with available experimental data as well as other workshop sub-missions. Strong consistency was observed between the Biconvex and C608 nearfield predictions across the two solvers used for this study, as well as validation and verification data. Additionally, near-field and farfield ground signature results using a combination of a truncated computational fluid dynamics (CFD) domain coupled to a mid-field space marching method and propagated to the ground using sBOOM will be discussed. This approach is shown to provide an efficient way to propagate near-field pressure signatures to the ground with the same accuracy as the near-field CFD coupled to sBOOM, but at less computational cost.

CST↗

Photovoltaic effect in ferroelectric ceramics

The ceramic structure was simulated in a form that is more tractable to correlation between experiment and theory. Single crystals (of barium titanate) were fabricated in a simple corrugated structure in which the pedestals of the corrugation simulated the grain while the intervening cuts could be filled with materials simulating the grain boundaries. The observed photovoltages were extremely small (100 mv).

Epstein, D. J.↗

Simulating Hydrodynamics in Cosmology with CRK-HACC

Abstract We introduce CRK-HACC, an extension of the Hardware/Hybrid Accelerated Cosmology Code (HACC), to resolve gas hydrodynamics in large-scale structure formation simulations of the universe. The new framework couples the HACC gravitational N -body solver with a modern smoothed-particle hydrodynamics (SPH) approach called conservative reproducing kernel SPH (CRKSPH). CRKSPH utilizes smoothing functions that exactly interpolate linear fields while manifestly preserving conservation laws (momentum, mass, and energy). The CRKSPH method has been incorporated to accurately model baryonic effects in cosmology simulations—an important addition targeting the generation of precise synthetic sky predictions for upcoming observational surveys. CRK-HACC inherits the codesign strategies of the HACC solver and is built to run on modern GPU-accelerated supercomputers. In this work, we summarize the primary solver components and present a number of standard validation tests to demonstrate code accuracy, including idealized hydrodynamic and cosmological setups, as well as self-similarity measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Theoretical Investigation of the Hydrogenation of Cyclohexene Catalyzed by Supported Single-Atom Sites on Redox Noninnocent LiMn 2 O 4 and Li 2 Mn 2 O 4 Surfaces

Here, the tuning of catalyst activity via stereoelectronic modulation of the active-site structure remains a grand challenge in heterogeneous catalysis. In homogeneous catalysis, the redox noninnocent ligands can be introduced to organometallic fragments to donate electrons to the metal center and fine-tune the catalytic activity. Analogously, lithium-ion battery materials, such as lithium manganese oxide (LMO), lithium titanium oxides (LTO), etc., can serve as redox noninnocent catalyst support to modulate the electronic structures of the active site via lithiation, hence tuning the catalytic activity of supported active sites. Experimentally, the Ni single-atom site was supported on LiMn 2 O 4 via oxidative grafting and exhibited no catalytic activity toward the hydrogenation of cyclohexene. After introducing additional Li into the catalyst support forming Li 2 Mn 2 O 4 , the Ni single-atom site becomes active, with the catalytic rates increasing as a function of the lithiation for Li/Mn ratios >0.9. In this paper, density functional theory (DFT) calculations are performed to study the Ni site structure via X-ray absorption near edge structure (XANES) simulations and investigate the electronic properties of Ni single-atom site before and after the addition of intercalated lithium in the LMO spinel structure. Furthermore, the study of the reaction mechanism is also carried out to understand the thermodynamically and kinetically favored pathways. XANES simulation suggests that the Ni single-atom site is likely to stay in the Li channel of the spinel support structure and form an octahedral structure. After Li intercalation, the Ni site becomes less positively charged, indicating the partial reduction of the Ni site. The simulated reaction energy profile over the LiMn 2 O 4 support exhibits high-energy barriers (1.07 eV) for the hydrogenation of cyclohexene; however, the Li 2 Mn 2 O 4 support is able to better stabilize low-coordinated ion sites and improve ion mobility, leading to lower overall energy barriers (0.64 eV). The reduced and low-coordinated ion site, thus, can better stabilize the reaction intermediates and promote hydrogenation reaction. Similarly, other transition metal ions (Fe, Co, and Cu) are also considered over the LiMn 2 O 4 and Li 2 Mn 2 O 4 catalyst supports for hydrogenation reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated analysis and applications

A select overview is provided of ongoing research focusing on the development and verification of integrated structural analysis and optimal design capabilities for advanced aerospace propulsion and power systems. Subjects discussed include the following: (1) Composites - analytical models (composite mechanics), integrated computational methods, and characterization of composite structural response and durability for resin-, metal-, and ceramic-matrix systems; (2) Advanced inelastic analysis - algorithm/numerical methods for more accurate and efficient analysis; (3) Constitutive modeling - theoretical formulation and characterization of thermoviscoplastic material behavior; (4) Computational simulation - engine structures from components to assembly, and up to an entire engine system subjected to simulated test-stand and mission load histories; (5) Probabilistic structural analysis - quantification of the effects of uncertainty in geometry, material, loads, and boundary conditions on structural response for true reliability assessment; and (6) Interdisciplinary optimization - incorporation of mathematical optimization and multidisciplinary analyses to provide streamlined, autonomous optimal design systems.

Hopkins, Dale A.↗