Search NASA⌕ Search

SEARCH · Search NASA

Results for “complexity analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Recurrence analysis of friction based dry-couplant ultrasonic Lamb waves in plate-like structures

Here, in this study, the effect of friction on the generation of dry-coupled Lamb waves is experimentally investigated. Recurrence analysis is performed to analyze the complex behavior of friction based dry-coupled Lamb waves. In particular, the effect of the normal force, which is necessary for a stronger dry-coupled Lamb wave generation and the friction, on the transmission of mechanical energy and determinism characteristics of Lamb waves are investigated. The results verify that larger friction coefficient and friction force are crucial for generation and propagation of strong Lamb waves supporting the fact that the main mechanism to transfer mechanical energy using dry-couplant is friction. The sensitivity of Lamb waves to the friction coefficient, highlights the importance of designing specific pads with respect to condition of the surface. Besides, the results show that the normal force and friction coefficient can change the determinism characteristics behavior of multimode Lamb waves. Furthermore, it is shown that the determinism value is sensitive to the friction coefficient and normal force. A similar trend is observed in the determinism values and friction coefficient. In general, a smaller friction coefficient indicates smaller determinism value. Additionally, it is shown that a normal load can change the behavior of a system, as observed from recurrence plots, owing to changes in the Lamb waves trajectories in the phase-space domain. In addition, it is shown that recurrence plots enable the detection of mode transitions in multimode Lamb waves. Recurrence analysis is a complementary tool to frequency domain methods for accurate analysis of multimode Lamb waves behavior.

42 ENGINEERING↗
NASA NTRS2007

Structural Analysis of the Redesigned Ice/Frost Ramp Bracket

This paper describes the interim structural analysis of a redesigned Ice/Frost Ramp bracket for the Space Shuttle External Tank (ET). The proposed redesigned bracket consists of mounts for attachment to the ET wall, supports for the electronic/instrument cables and propellant repressurization lines that run along the ET, an upper plate, a lower plate, and complex bolted connections. The eight nominal bolted connections are considered critical in the summarized structural analysis. Each bolted connection contains a bolt, a nut, four washers, and a non-metallic spacer and block that are designed for thermal insulation. A three-dimensional (3D) finite element model of the bracket is developed using solid 10-node tetrahedral elements. The loading provided by the ET Project is used in the analysis. Because of the complexities associated with accurately modeling the bolted connections in the bracket, the analysis is performed using a global/local analysis procedure. The finite element analysis of the bracket identifies one of the eight bolted connections as having high stress concentrations. A local area of the bracket surrounding this bolted connection is extracted from the global model and used as a local model. Within the local model, the various components of the bolted connection are refined, and contact is introduced along the appropriate interfaces determined by the analysts. The deformations from the global model are applied as boundary conditions to the local model. The results from the global/local analysis show that while the stresses in the bolts are well within yield, the spacers fail due to compression. The primary objective of the interim structural analysis is to show concept viability for static thermal testing. The proposed design concept would undergo continued design optimization to address the identified analytical assumptions and concept shortcomings, assuming successful thermal testing.

Phillips, D. R.↗
DOE OSTI2020

Second Coordination Sphere Effects in an Evolved Ru Complex Based on Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis

A new Ru complex containing the deprotonated 2,2':6',2"-terpyridine-6,6"-diphosphonic acid (H 4 tPa) and pyridine (py) of general formula [Ru II (H 3 tPa-κ-N 3 O)(py) 2 ] + , 2 + , has been prepared and thoroughly characterized by means of spectroscopic and electrochemical techniques, X-ray diffraction analysis, and density functional theory (DFT) calculations. Complex 2 + presents a dynamic behavior in the solution that involves the synchronous coordination and the decoordination of the dangling phosphonic groups of the tPa 4– ligand. Yet, at oxidation state IV, complex 2 + becomes seven coordinated with the two phosphonic groups now bonded to the metal center. Further, at this oxidation state at neutral and basic pH, the Ru complex undergoes the coordination of an exogenous OH – group from the solvent that leads to an intramolecular aromatic O atom insertion into the CH bond of one of the pyridyl groups, forming the corresponding phenoxo-phosphonate Ru complex [Ru III (tPaO-κ-N 2 O P O C )(py) 2 ] 2– , 4 2– , where tPaO 5– is the 3-(hydroxo-[2,2':6',2"-terpyridine]-6,6"-diyl)bis(phosphonate) ligand. This new in situ generated Ru complex, 4 2– , has been isolated and spectroscopically and electrochemically characterized. In addition, a crystal structure has been also obtained using single-crystal X-ray diffraction techniques. Complex 4 2– turns out to be an exceptional water oxidation catalyst achieving record maximum turnover frequencies (TOF max ) on the order of 16 000 s –1 . A mechanistic analysis complemented with DFT calculations has further been carried out, showing the critical role of intramolecular second coordination sphere effects exerted by the phosphonate groups in lowering the activation energy at the rate-determining step.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Numerical framework for integrated additive manufacturing-compression molding (AM-CM) of thermoplastic composites

Additive manufacturing-compression molding (AM-CM) has emerged as a transformative technology in advanced composite manufacturing. Additive manufacturing (AM) offers high design flexibility and the ability to produce complex geometries with precisely aligned fibers in the preferred orientation. Compression molding (CM) enhances composite materials by providing excellent dimensional stability, reduced porosity, high production rates, and a smooth surface finish. Despite these advantages, extensive integrated analysis is required to optimize processing conditions for improved fiber orientation distribution (FOD) and porosity control. Here, this study develops a comprehensive numerical model to simulate the AM-CM manufacturing process. The model isolates the effects of both the AM and CM phases while also capturing their integration. Additionally, it accounts for heat transfer, temperature-dependent viscosity, and fiber orientation in the extruded fiber-filled polymer, accurately representing material behavior during processing. This approach enables the analysis of interactions between deposited beads of complex strand shapes and their interface regions after full compression. Moreover, the model predicts key parameters such as polymer flowability, fiber orientation, and temperature evolution in AM-CM parts. By optimizing processing conditions, it facilitates a controlled and predictable microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Determining Patterns from Radiation Portal Monitor Data: Enabling Data Insight with Visual and Interactive Exploratory Data Analysis

Smuggling of nuclear and radiological material is a complex problem that will need to be analyzed from a variety of angles in order to effectively combat something so rare, yet so hazardous. One crucial tool in the effort to detect and deter smuggling of rad/nuc materials is the radiation portal monitor (RPM)—machines that scan passengers at airports, vehicles and trains at border crossings, and shipping containers at ports throughout the world. While data from RPMs are regularly analyzed at the individual lane level to ensure monitor health and good operation, aggregate analysis of the data has not gone far beyond summary statistics such as number of occupancies and alarm rates. In particular, there are opportunities to carry out interactive exploratory data analysis with the help of tools like the R package Shiny and methods that lend themselves to the visual display of spatiotemporal correlations such as spatial PCA and detrended cross-correlation analysis. By doing so, we discover interesting spatiotemporal patterns in the data that point to specific events or anomalous moments in time that warrant further analysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1983

A study of space station needs, attributes, and architectural options, volume 2, technical. Book 2: Mission implementation concepts

Space station systems characteristics and architecture are described. A manned space station operational analysis is performed to determine crew size, crew task complexity and time tables, and crew equipment to support the definition of systems and subsystems concepts. This analysis is used to select and evaluate the architectural options for development.

Source record↗
DOE OSTI2021

Actinide arene-metalates: ion pairing effects on the electronic structure of unsupported uranium–arenide sandwich complexes

Addition of [UI 2 (THF) 3 (μ-OMe)] 2 ·THF (2·THF) to THF solutions containing 6 equiv. of K[C 14 H 10 ] generates the heteroleptic dimeric complexes [K(18-crown-6)(THF) 2 ] 2 [U(η 6 -C 14 H 10 )(η 4 -C 14 H 10 )(μ-OMe)] 2 ·4THF (1 18C6 ·4THF) and {[K(THF) 3 ][U(η 6 -C 14 H 10 )(η 4 -C 14 H 10 )(μ-OMe)]} 2 (1 THF ) upon crystallization of the products in THF in the presence or absence of 18-crown-6, respectively. Both 1 18C6 ·4THF and 1 THF are thermally stable in the solid-state at room temperature; however, after crystallization, they become insoluble in THF or DME solutions and instead gradually decompose upon standing. X-ray diffraction analysis reveals 1 18C6 ·4THF and 1 THF to be structurally similar, possessing uranium centres sandwiched between bent anthracenide ligands of mixed tetrahapto and hexahapto ligation modes. Yet, the two complexes are distinguished by the close contact potassium-arenide ion pairing that is seen in 1 THF but absent in 1 18C6 ·4THF, which is observed to have a significant effect on the electronic characteristics of the two complexes. Structural analysis, SQUID magnetometry data, XANES spectral characterization, and computational analyses are generally consistent with U(IV) formal assignments for the metal centres in both 1 18C6 ·4THF and 1 THF , though noticeable differences are detected between the two species. For instance, the effective magnetic moment of 1 THF (3.74 μ B ) is significantly lower than that of 1 18C6 ·4THF (4.40 μ B ) at 300 K. Furthermore, the XANES data shows the U L III -edge absorption energy for 1 THF to be 0.9 eV higher than that of 1 18C6 ·4THF, suggestive of more oxidized metal centres in the former. Of note, CASSCF calculations on the model complex {[U(η 6 -C 14 H 10 )(η 4 -C 14 H 10 )(μ-OMe)] 2 } 2– (1*) shows highly polarized uranium–arenide interactions defined by π-type bonds where the metal contributions are primarily comprised by the 6d-orbitals (7.3 ± 0.6%) with minor participation from the 5f-orbitals (1.5 ± 0.5%). These unique complexes provide new insights into actinide–arenide bonding interactions and show the sensitivity of the electronic structures of the uranium atoms to coordination sphere effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1935

Principal Effects of Axial Load on Moment-Distribution Analysis of Rigid Structures

This thesis presents the method of moment distribution modified to include the effect of axial load upon the bending moments. This modification makes it possible to analyze accurately complex structures, such as rigid fuselage trusses, that heretofore had to be analyzed by approximate formulas and empirical rules. The method is simple enough to be practicable even for complex structures, and it gives a means of analysis for continuous beams that is simpler than the extended three-moment equation now in common use. When the effect of axial load is included, it is found that the basic principles of moment distribution remain unchanged, the only difference being that the factors used, instead of being constants for a given member, become functions of the axial load. Formulas have been developed for these factors, and curves plotted so that their applications requires no more work than moment distribution without axial load. Simple problems have been included to illustrate the use of the curves.

James, Benjamin Wylie↗
NASA NTRS1993

Development, refinement, and testing of a short term solar flare prediction algorithm

Progress toward performance of the tasks and accomplishing the goals set forth in the two year Research Grant included primarily analysis of digital data sets and determination of methodology associated with the analysis of the very large, unique, and complex collection of digital solar magnetic field data. The treatment of each magnetogram as a unique set of data requiring special treatment was found to be necessary. It is determined that a person familiar with the data, the analysis system, and logical, coherent outcome of the analysis must conduct each analysis, and interact with the analysis program(s) significantly sometimes many iterations for successful calibration and analysis of the data set. With this interaction, the data sets yield valuable, coherent analyses. During this period, it was also decided that only data sets taken inside heliographic longitudes (Central Meridian Distance) East and West 30 degrees (within 30 degrees of the Central Meridian of the Sun). If the total data set is then found to be numerically inadequate for the final analysis, 30 - 45 degrees Central Meridian Distance data will then be analyzed. The Optical Data storage system (MSFC observatory) was found appropriate for use both in intermediate storage of the data (preliminary to analysis), and for storage of the analyzed data sets for later parametric extraction.

Smith, Jesse B., Jr.↗
DOE OSTI2023

Seeing the cis -Dihydroxylating Intermediate: A Mononuclear Nonheme Iron-Peroxo Complex in cis -Dihydroxylation Reactions Modeling Rieske Dioxygenases

The nature of reactive intermediates and the mechanism of the cis-dihydroxylation of arenes and olefins by Rieske dioxygenases and synthetic nonheme iron catalysts have been the topic of intense research over the past several decades. In this study, we report that a spectroscopically well characterized mononuclear nonheme iron(III)-peroxo complex reacts with olefins and naphthalene derivatives, yielding iron(III) cycloadducts that are isolated and characterized structurally and spectroscopically. Further, kinetics and product analysis reveal that the nonheme iron(III)-peroxo complex is a nucleophile that reacts with olefins and naphthalenes to yield cis-diol products. The present study reports the first example of the cis-dihydroxylation of substrates by a nonheme iron(III)-peroxo complex that yields cis-diol products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Elucidating the Competitive Hydrodeoxygenation of Lignin-Derived Oxygenates over Bulk MoO 3 Catalyst through Kinetic Analysis

Ambient pressure hydrodeoxygenation (HDO) of lignin-derived oxygenates over molybdenum oxide-based catalysts is an effective strategy to produce chemicals that can be directly integrated into our existing petrochemical infrastructure. Complexities pertaining to the simultaneous kinetic and mechanistic analysis of HDO have limited research endeavors to single-compound systems. Although valuable insight into the catalytic reaction has been gained through this approach, it provides limited understanding of the competitive adsorption behavior manifest in a realistic multioxygenate reaction environment. To address this shortcoming, simultaneous gas-phase acetone and anisole HDO was performed at 330 °C and ≤1 bar H 2 partial pressure over bulk MoO 3 . Propene, propane, and benzene were the HDO products formed, showing a similar product distribution to the single-compound system. Selectivity to propene and propane was ∼14 times higher than benzene, even at three times higher anisole partial pressure compared to acetone. A negative anisole HDO (−0.97 ± 0.22) rate order with varying acetone partial pressure suggested a strong inhibition effect on anisole HDO by acetone. Conversely, with increasing anisole partial pressure, a rate order of −0.07 ± 0.12 was observed for acetone HDO, implying a weak impact of anisole cofeed on acetone HDO. A kinetic-driven approach was taken to estimate the relative adsorption constants of the oxygenates. Acetone exhibited a 6.4 times higher adsorption propensity on the HDO active site than anisole. Relative adsorption constants for phenolics increased with increasing basicity of the oxygenate but decreased for aliphatic molecules, suggesting a volcano-shaped relationship. The results suggest the possibility of an optimal electron density around the molecule’s oxygen atom to maximize the molecule’s adsorption strength.

acid sites↗
NASA NTRS1981

The effect of inflow velocity profiles on the performance of supersonic ejector nozzles

The design of supersonic nozzles is becoming increasingly complex as conflicting requirements for low noise, higher efficiency, and wider operating range are driving the designer toward more variable geometry and multiple stream flows. Analysis techniques must be modified and expanded to take into account these additional complexities and still retain the rapid computational rate necessary for optimization and design studies. A nozzle analysis must handle more flow streams, more complex geometries, and more highly distorted initial profiles. This paper discusses some modifications to a method for calculating the performance characteristics of supersonic ejector nozzles and demonstrates the improvement in results the modifications provide.

Bishop, A. R.↗
NASA NTRS2018

Transient Heater Analysis for Orion Thermal Vacuum Testing

The Space Environments Complex (SEC) at NASA's Plum Brook Station is currently being prepared to perform thermal vacuum testing of the Orion spacecraft. This thermal vacuum, or T-VAC test will be run for a period of 60 days, which will be the longest such test ever conducted at SEC. The Orion Crew Module (CM) and Service Module (SM) will undergo T-VAC testing in SEC's Space Simulation Vacuum Chamber to ensure the functionality of these systems in a high vacuum environment at extremely cold temperatures. The T-VAC test setup in SEC was modeled and simulated in Thermal Desktop. The initial results from thermal analysis showed areas on the chamber floor to reach very low temperatures, which were below the minimum operating range of certain hardware located on or near the chamber floor. These hardware including elastomeric seals on the GN2 piping, bearing pads and O-rings are essential to both test and the operation of the SEC facility, and must be kept well above -20°F throughout the duration of the T-VAC test. Thus, further analysis was conducted to include the placement of patch heaters on the chamber floor in an effort to increase the temperature near colder areas on the floor. The results and findings from this analysis showed that using these heaters will result in a favorable temperature distribution on the chamber floor. This paper will discuss the methods used in the analysis, and the results obtained to determine the optimal configuration of these heaters on the chamber floor.

Wilhite, Jarred↗
NASA NTRS2018

Transient Heater Analysis for Orion Thermal Vacuum Testing

The Space Environments Complex (SEC) at NASA’s Plum Brook Station is currently being prepared to perform thermal vacuum testing of the Orion spacecraft. This thermal vacuum, or T-VAC test will be run for a period of 60 days, which will be the longest such test ever conducted at SEC. The Orion Crew Module (CM) and Service Module (SM) will undergo T-VAC testing in SEC’s Space Simulation Vacuum Chamber to ensure the functionality of these systems in a high vacuum environment at extremely cold temperatures. The T-VAC test setup in SEC was modeled and simulated in Thermal Desktop. The initial results from thermal analysis showed areas on the chamber floor to reach very low temperatures, which were below the minimum operating range of certain hardware located on or near the chamber floor. These hardware including elastomeric seals on the GN2 piping, bearing pads and O-rings are essential to both test and the operation of the SEC facility, and must be kept well above -20°F throughout the duration of the T-VAC test. Thus, further analysis was conducted to include the placement of patch heaters on the chamber floor in an effort to increase the temperature near colder areas on the floor. The results and findings from this analysis showed that using these heaters will result in a favorable temperature distribution on the chamber floor. This paper will discuss the methods used in the analysis, and the results obtained to determine the optimal configuration of these heaters on the chamber floor.

Wilhite, Jarred↗
DOE OSTI2021

Promotion and Tuning of the Electrochemical Reduction of Hetero‐ and Homobimetallic Zinc Complexes**

Abstract Compounds containing multiple metals attract significant interest due to the useful redox and reactivity properties of such species. Here, the electrochemical properties of a family of macrocyclic complexes that feature a zinc(II) center paired with a secondary redox‐inactive metal cation in heterobimetallic (Na + , Ca 2+ , Nd 3+ , Y 3+ ) motifs or homobimetallic (Zn 2+ ) motifs have been investigated. The new complexes were prepared via a divergent strategy, isolated, and structurally characterized with single‐crystal X‐ray diffraction (XRD) analysis. XRD results show that the structures of the complexes are modulated by the identity of the incorporated secondary metal ions. Cyclic voltammetry data reveal that ligand‐centered reduction is promoted in the bimetallic complexes and that the paired metal ions synergistically influence the redox properties of the complexes. Similar to prior work from our group and others, the bimetallic complexes containing stronger Lewis acids undergo more significant reduction potential shifts; contrasting with prior work on complexes containing redox‐active metals, however, the zinc(II) complexes studied here display faster electron transfer (as judged by lower reorganization energies, λ) when incorporating di‐ or tri‐valent Lewis acids in contrast to monovalent (and more weakly acidic) sodium. The quantified trends in these data offer insights that could help distinguish metal‐ versus ligand‐centered reduction of bimetallic complexes.

Kelsey, Shaun R.↗
DOE OSTI2023

Pertechnetate/perrhenate–capped Zr/Hf–Dihydroxide Dimers: Elucidating Zr–TcO 4 Co–Mobility in the Nuclear Fuel Cycle

Spent nuclear fuel contains heavy element fission products that must be separated for effective reprocessing for a safe and sustainable nuclear fuel cycle. 93 Zr and 99 Tc are high-yield fission products that co-transport in liquid-liquid extraction processes. Here we seek atomic-level information of this co-extraction process, as well as fundamental knowledge about Zr IV (and Hf IV ) aqueous speciation in the presence of topology-directing ligands such as pertechnetate (TcO 4 – ) and non-radioactive surrogate perrhenate (ReO 4 – ). In this context, we show that the flat tetrameric oxyhydroxyl-cluster [M IV 4 (OH) 8 (H 2 O) 16 ] 8+ (and related polymers) is dissociated by perrhenate/pertechnetate to yield isostructural dimers, M 2 (OH) 2 (XO 4 – ) 6 (H 2 O) 6 • 3H 2 O (M=Zr/Hf IV ; X=Re/Tc VII ), elucidated by single-crystal X-ray diffraction. We used these model compounds to understand the pervasive 93 Zr- 99 Tc coextraction with further speciation studies in water, nitric acid, and tetrabutylphosphate (TBP) -kerosene; where the latter two media are relevant to nuclear fuel reprocessing. SAXS (small angle X-ray scattering), compositional evaluation, and where experimentally feasible, ESI-MS (electrospray ionization mass spectrometry) showed that perrhenate/pertechnetate influence Zr/Hf IV -speciation in water. Here, in Zr-XO 4 solvent extraction studies to simulate fuel reprocessing, we provide evidence that TcO 4 – enhances extraction of Zr IV , and compositional analysis of the extracted metal-complexes (Zr-ReO 4 study) is consistent with the crystallized Zr IV 2 (OH) 2 (Re VII O 4 – ) 6 (H 2 O) 6 •dimer.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Machine learning insights into microstructural origins of transport and mechanical properties in porous microstructures

Multifunctional porous materials are increasingly needed across various fields, but their complex microstructures create significant challenges due to the intricate microstructure-property relationships. This complexity, combined with limitations of traditional analysis methods, hinders efforts to understand and optimize microstructure–property relationships. Here, to address this, we integrate physics-based mesoscale modeling with interpretable machine learning (ML) to uncover how microstructural features govern effective diffusivity and elastic modulus. At constant porosity, we show diffusivity varies by over 150 × and modulus by ∼50 ×, highlighting the power of microstructure engineering. Statistical analysis reveals bimodal behavior in diffusivity and unimodal in modulus. ML identifies connectivity as the dominant factor, while modulus is also sensitive to domain size and feature interactions. Controlled simulations further highlight domain shape as a critical feature for modulus. This framework enables efficient exploration of microstructure-property correlations, offering new insights to guide the design of advanced porous materials.

Bicontinuous microstructure↗
DOE OSTI2025

DECOVALEX-2023: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX initiative is an international research collaboration (www.decovalex.org), initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of the complex perturbations and coupled processes in geologic repositories and how these impact long-term performance predictions. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2023, started in early 2020 and ended in late 2023. More than fifty research teams associated with 17 international DECOVALEX partner organizations participated in the comparative evaluation of eight modeling tasks covering a wide range of spatial and temporal scales, geological formations, and coupled processes. This Virtual Special Issue on DECOVALEX-2023 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes. While primarily focused on radioactive waste, much of the work included here has wider application to many geoengineering topics.

Coupled processes↗