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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Prediction of hemiwicking dynamics in micropillar arrays

Dynamic hemiwicking behavior is observable in both nature and a wide range of industrial applications ranging from biomedical devices to thermal management. We present a semi-analytical modeling framework (without empirical fitting coefficients) to predict transient capillary-driven hemiwicking behavior of a liquid through a nano/microstructured surface, specifically a micropillar array. In our model framework, the liquid domain is discretized into micropillar unit cells to enable the time marching of the hemiwicking front. A simplified linear pressure drop is assumed along the hemiwicking length such that the local meniscus curvature, contact angle, and effective liquid height are determined at each time step in our transient model. This semi-analytical model is validated with experimental data from our own experiments and from published literature for different fluids. Our model predicts hemiwicking dynamics with <20% error over a broad range of micropillar geometries with height-to-pitch ratio ranging between ≈0.34 and 6.7 and diameter-to-pitch ratio in the range of ≈0.25–0.7 and without any fitting parameters. For lower diameter-to-pitch ratio data points related to sparse micropillar array arrangements, we suggest modifications to the semi-analytical model. This work sheds light on complex and dynamic solid–liquid–vapor interfacial interactions which could serve as a guide for the design of textured surfaces for wicking enhancement in multi-phase thermal and mass transport technologies and applications.

Mechanics↗
DOE OSTI2024

High-throughput screening of 2D materials identifies p-type monolayer WS2 as potential ultra-high mobility semiconductor

Abstract 2D semiconductors offer a promising pathway to replace silicon in next-generation electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces and enable scaling the channel thickness down to the monolayer limit. However, these materials exhibit comparatively lower charge carrier mobility and higher contact resistance than 3D semiconductors, making it challenging to realize high-performance devices at scale. In this work, we search for high-mobility 2D materials by combining a high-throughput screening strategy with state-of-the-art calculations based on the ab initio Boltzmann transport equation. Our analysis singles out a known transition metal dichalcogenide, monolayer WS 2 , as the most promising 2D semiconductor, with the potential to reach ultra-high room-temperature hole mobilities in excess of 1300 cm 2 /Vs should Ohmic contacts and low defect densities be achieved. Our work also highlights the importance of performing full-blown ab initio transport calculations to achieve predictive accuracy, including spin–orbital couplings, quasiparticle corrections, dipole and quadrupole long-range electron–phonon interactions, as well as scattering by point defects and extended defects.

Chemistry↗
NASA NTRS1988

Investigation of energy transfer in the ignition mechanism of a NASA standard initiator

The principal objective of the proposed research was to construct a detailed computer model of the NASA Standard Initiator (NSI). The NSI plays a critical role in initiating various pyrotechnic events in the National Space Transportation System and is also used in Shuttle payload applications. Several initiators failed when being tested at very low temperatures (4 to 20 K). During subsequent investigation an unacceptable high failure rate was found even at higher temperatures (100 to 150 K) but the precise cause of failure was not determined. The modelling work was undertaken to investigate reasons for failure and to predict the performance of alternate firing schemes. The work has shown that the most likely cause of failure at low temperature is poor thermal contact between the electrically heated bridgewire and the pyrotechnic charge. This problem may be masked if there is good thermal contact between the bridgewire and the alumina charge cup. The high thermal conductivity of alumina at cryogenic temperatures was overlooked in previous analyses, which assumed that the charge cup acted as a thermal insulator.

Varghese, Philip L.↗
NASA NTRS1989

Simulation of flexible structures with impact: Experimental validation

The simulation of the dynamic behavior of flexible structures with impact, is experimentally and numerically investigated. A radially rotating flexible beam attached to a rigid shaft is considered. Both experimental and numerical studies are undertaken. Experimental studies how excellent agreement with simulation studies using both the momentum balance (coefficient of friction), and spring-dashpot (impact pair) models. The simulation studies are even capable of predicting the high-speed multiple impacts which occur due to structural flexibility and which are experimentally observed using high-speed video photography. The results of the studies show that a simple momentum balance (coefficient of restitution) method for simulating the impact is sufficiently accurate in predicting the dynamic behavior of the system for most engineering applications. The momentum balance method cannot simulate the impact force which develops during the contact duration, but is computationally very efficient. The spring-dashpot model is more difficult to develop and requires significantly larger computation time, but can simulate impact forces and stresses due to impact. The momentum balance (coefficient of restitution) method, although strictly not applicable to flexible bodies, has been shown to provide an accurate and computationally efficient method for simulating the dynamic behavior of flexible structures with impact when contact stresses are not needed.

Ulsoy, A. Galip↗
NASA NTRS1996

Fractional Whirl Motion in Wave Journal Bearings

Unloaded gas, plain journal bearings experience sub-synchronous whirl motion due to fluid film instabilities and wall contact usually occurs immediately after the onset of the whirl motion. An alternative is the wave journal bearing which significantly improves bearing stability. The predicted threshold where the sub-synchronous whirl motion starts was well confirmed by the experimental observation. In addition, both a two-wave and a three-wave journal bearing can operate free of sub-synchronous whirl motion over a large range in speeds. When the sub-synchronous whirl motion occurs, both the two-wave and three-wave bearing can run in a whirl orbit well within the bearing clearance. At large clearances and wave amplitudes a two-wave bearing, unliKe other bearings, can exhibit a sub-synchronous whirl movement at both low and high speeds, but can run extremely stable and without whirl at intermediate speeds. Moreover, in these cases, the whirl frequencies are close to a quarter of the synchronous speed. The three-wave bearing can exhibit sub-synchronous whirl motion only after a specific threshold when the speed increases and the whirl frequencies are close to half of the synchronous speed.

Dimofte, Florin↗
NASA NTRS1996

Nonlinear Analysis and Modeling of Tires

The objective of the study was to develop efficient modeling techniques and computational strategies for: (1) predicting the nonlinear response of tires subjected to inflation pressure, mechanical and thermal loads; (2) determining the footprint region, and analyzing the tire pavement contact problem, including the effect of friction; and (3) determining the sensitivity of the tire response (displacements, stresses, strain energy, contact pressures and contact area) to variations in the different material and geometric parameters. Two computational strategies were developed. In the first strategy the tire was modeled by using either a two-dimensional shear flexible mixed shell finite elements or a quasi-three-dimensional solid model. The contact conditions were incorporated into the formulation by using a perturbed Lagrangian approach. A number of model reduction techniques were applied to substantially reduce the number of degrees of freedom used in describing the response outside the contact region. The second strategy exploited the axial symmetry of the undeformed tire, and uses cylindrical coordinates in the development of three-dimensional elements for modeling each of the different parts of the tire cross section. Model reduction techniques are also used with this strategy.

Noor, Ahmed K.↗
NASA NTRS1997

Coupling of fingertip somatosensory information to head and body sway

Light touch contact of a fingertip with a stationary surface can provide orientation information that enhances control of upright stance. Slight changes in contact force at the fingertip provide sensory cues about the direction of body sway, allowing attenuation of sway. In the present study, we asked to which extent somatosensory cues are part of the postural control system, that is, which sensory signal supports this coupling? We investigated postural control not only when the contact surface was stationary, but also when it was moving rhythmically (from 0.1 to 0.5 Hz). In doing so, we brought somatosensory cues from the hand into conflict with other parts of the postural control system. Our focus was the temporal relationship between body sway and the contact surface. Postural sway was highly coherent with contact surface motion. Head and body sway assumed the frequency of the moving contact surface at all test frequencies. To account for these results, a simple model was formulated by approximating the postural control system as a second-order linear dynamical system. The influence of the touch stimulus was captured as the difference between the velocity of the contact surface and the velocity of body sway, multiplied by a coupling constant. Comparison of empirical results (relative phase, coherence, and gain) with model predictions supports the hypothesis of coupling between body sway and touch cues through the velocity of the somatosensory stimulus at the fingertip. One subject, who perceived movement of the touch surface, demonstrated weaker coupling than other subjects, suggesting that cognitive mechanisms introduce flexibility into the postural control scheme.

NASA Discipline Neuroscience↗
NASA NTRS2007

Design of Oil-Lubricated Machine for Life and Reliability

In the post-World War II era, the major technology drivers for improving the life, reliability, and performance of rolling-element bearings and gears have been the jet engine and the helicopter. By the late 1950s, most of the materials used for bearings and gears in the aerospace industry had been introduced into use. By the early 1960s, the life of most steels was increased over that experienced in the early 1940s, primarily by the introduction of vacuum degassing and vacuum melting processes in the late 1950s. The development of elastohydrodynamic (EHD) theory showed that most rolling bearings and gears have a thin film separating the contacting bodies during motion and it is that film which affects their lives. Computer programs modeling bearing and gear dynamics that incorporate probabilistic life prediction methods and EHD theory enable optimization of rotating machinery based on life and reliability. With improved manufacturing and processing, the potential improvement in bearing and gear life can be as much as 80 times that attainable in the early 1950s. The work presented summarizes the use of laboratory fatigue data for bearings and gears coupled with probabilistic life prediction and EHD theories to predict the life and reliability of a commercial turboprop gearbox. The resulting predictions are compared with field data.

Zaretsky, Erwin V.↗
NASA NTRS2012

Efficient Thermally Conductive Strap Design for Cryogenic Propellant Tank Supports and Plumbing

After evalu1ating NASA space architecture goals, the Office of Chief Technologist identified the need for developing enabling technology for long term loiters in space with cryogenic fluids. One such technology is structural heat interception. In this prototype, heat interception at the tank support strut was accomplished using a thermally conductive link to the broad area cooled shield. The design methodology for both locating the heat intercept and predicting the reduction in boil-off heat leak is discussed in detail. Results from the chosen design are presented. It was found that contact resistance resulting from different mechanical attachment techniques played a significant role in the form and functionality of a successful design.

Elchert, J. P.↗
NASA NTRS2012

Efficient Thermally Conductive Strap Design for Cryogenic Propellant Tank Supports and Plumbing

After evaluating NASA space architecture goals, the Office of Chief Technologist identified the need for developing enabling technology for long term loiters in space with cryogenic fluids. One such technology is structural heat interception. In this prototype, heat interception at the tank support strut was accomplished using a thermally conductive link to the broad area cooled shield. The design methodology for both locating the heat intercept and predicting the reduction in boil-off heat leak is discussed in detail. Results from the chosen design are presented. It was found that contact resistance resulting from different mechanical attachment techniques played a significant role in the form and functionality of a successful design.

Elchert, J. P.↗
NASA NTRS2015

Lattice Boltzmann Method for Spacecraft Propellant Slosh Simulation

A scalable computational approach to the simulation of propellant tank sloshing dynamics in microgravity is presented. In this work, we use the lattice Boltzmann equation (LBE) to approximate the behavior of two-phase, single-component isothermal flows at very low Bond numbers. Through the use of a non-ideal gas equation of state and a modified multiple relaxation time (MRT) collision operator, the proposed method can simulate thermodynamically consistent phase transitions at temperatures and density ratios consistent with typical spacecraft cryogenic propellants, for example, liquid oxygen. Determination of the tank forces and moments is based upon a novel approach that relies on the global momentum conservation of the closed fluid domain, and a parametric wall wetting model allows tuning of the free surface contact angle. Development of the interface is implicit and no interface tracking approach is required. A numerical example illustrates the method's application to prediction of bulk fluid behavior during a spacecraft ullage settling maneuver.

Orr, Jeb S.↗
NASA NTRS2014

A Practical Philosophy of Complex Climate Modelling

We give an overview of the practice of developing and using complex climate models, as seen from experiences in a major climate modelling center and through participation in the Coupled Model Intercomparison Project (CMIP).We discuss the construction and calibration of models; their evaluation, especially through use of out-of-sample tests; and their exploitation in multi-model ensembles to identify biases and make predictions. We stress that adequacy or utility of climate models is best assessed via their skill against more naive predictions. The framework we use for making inferences about reality using simulations is naturally Bayesian (in an informal sense), and has many points of contact with more familiar examples of scientific epistemology. While the use of complex simulations in science is a development that changes much in how science is done in practice, we argue that the concepts being applied fit very much into traditional practices of the scientific method, albeit those more often associated with laboratory work.

complex simulation↗
NASA NTRS2019

Design of an Automated Ultrasonic Scanning System for In-Situ Composite Cure Monitoring and Defect Detection

The preliminary design and development of an automated ultrasonic scanning system for in-situ composite cure monitoring and defect detection in the high temperature environment of an oven was completed. This preliminary design is a stepping stone to deployment in the high temperature and high pressure environment of an autoclave, the primary cure method of aerospace grade thermoset composites. Cure monitoring with real-time defect detection during the process could determine when defects form and how they move. In addition, real-time defect detection during cure could assist validating physics-based process models for predicting defects at all stages of the cure cycle. A physics-based process model for predicting porosity and fiber waviness originating during cure is currently under development by the NASA Advanced Composites Project (ACP). For the design, an ultrasonic contact scanner is enclosed in an insulating box that is placed inside an oven during cure. Throughout the cure cycle, the box is nitrogen-cooled to approximately room temperature to maintain a standard operating environment for the scanner. The composite part is mounted on the outside of the box in a vacuum bag on the build/tool plate. The build plate is attached to the bottom surface of the box. The scanner inspects the composite panel through the build plate, tracking the movement of defects introduced during layup and searching for new defects that may form during cure. The focus of this paper is the evaluation and selection of the build plate material and thickness. The selection was based on the required operating temperature of the scanner, the cure temperature of the composite material, thermal conductivity models of the candidate build plates, and a series of ultrasonic attenuation tests. This analysis led to the determination that a 63.5 mm thick build plate of borosilicate glass would be utilized for the system. The borosilicate glass plate was selected as the build plate material due to the low ultrasonic attenuation it demonstrated, its ability to efficiently insulate the scanner while supporting an elevated temperature on the part side of the plate, and the availability of a 63.5 mm thick plate without the need for lamination.

Hudson, Tyler B.↗
NASA NTRS2014

A Predictive Bubble Point Pressure Model for Porous Liquid Acquisition Device Screens

This article presents a simplified model for porous screen channel liquid acquisition devices based on a maximum bubble point pressure method from Adamson and Gast (1997). To validate the model, three 304 stainless steel (325 × 2300, 450 × 2750, and 510 × 3600) mesh samples were tested in methanol, acetone, isopropyl alcohol, and water. Screen pores are estimated based on analysis from scanning electron microscopy, historical data, and current test data. Results show that the bubble point pressure is proportional to the surface tension of the fluid only when accounting for nonzero contact angles. The previous assumption that bubble point pressure scales inversely with effective pore diameter is shown to be invalid, as the second finest 450 × 2750 produced the highest bubble point of the three screens. The simplified bubble point model can be used to make predictions for any pure fluid when pore diameters are based on bubble point tests and not SEM analysis.

Liquid Acquisition Device↗
NASA NTRS1979

Comparison of predicted and measured elastohydrodynamic film thickness in a 20-millimeter-bore ball bearing

Elastohydrodynamic film thicknesses were measured for a 20-mm bore ball bearing using the capacitance technique. The bearing was thrust loaded to 90, 445, and 778 N (20, 100, and 175 lb). The corresponding maximum contact stress on the inner race was 1.28, 2.09, and 2.45 GPa (185 000, 303,000, and 356, 000 psi). Test speeds ranged from 400 to 15,000 rpm. Measurements were taken with four different lubricants: (1) synthetic paraffinic; (2) synthetic paraffinic with additives; (3) synthetic type II aircraft oil; and (4) synthetic cycloaliphatic hydrocarbon traction fluid. The test bearing was mist lubricated. Test temperatures were 27, 65, and 121 C (80, 150, and 250 F). The measured results for the various test parameters were compared to theoretical predictions from computer programs. Also the data were plotted on dimensionless coordinates and compared to several classical isothermal theories.

Coy, J. J.↗
NASA NTRS2005

Prediction of Fretting Crack Location and Orientation in a Single Crystal Nickel Alloy

Fretting is a structural damage mechanism arising between two nominally clamped surfaces subjected to an oscillatory loading. A critical location for fretting induced damage has been identified at the blade/disk and blade/damper interfaces of gas turbine engine turbomachinery and space propulsion components. The high- temperature, high-frequency loading environment seen by these components lead to severe stress gradients at the edge-of-contact that could potentially foster crack growth leading to component failure. These contact stresses drive crack nucleation in fretting and are very sensitive to the geometry of the contacting bodies, the contact loads, materials, temperature, and contact surface tribology (friction). Recently, a high-frequency, high-temperature load frame has been designed for experimentally investigating fretting damage of single crystal nickel materials employed in aircraft and spacecraft turbomachinery. A modeling method for characterizing the fretting stresses of the spherical fretting contact stress behavior in this experiment is developed and described. The calculated fretting stresses for a series of experiments are then correlated to the observed fretting damage. Results show that knowledge of the normal stresses and resolved shear stresses on each crystal plane can aid in predicting crack locations and orientations.

Matlik, J. F.↗
DOE OSTI2024

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles

Capping agents are often used for controlling the size, aggregation, and properties of nanoparticles. To guide the design of improved nanomaterials for targeted performance, one can use mechanistic insights into the interactions between capping agents and nanoparticles. Here, we employ density functional theory (DFT), reactive force-field molecular dynamics (ReaxFF MD) simulations, and optical spectroscopy to study the interactions between salicylate, as a model capping agent, and zinc oxide (ZnO) nanoparticles. In this work, we find that salicylate strongly interacts with the nanoparticle via the formation of O–Zn bonds in a distorted six-membered coordination ring structure. We describe the mechanisms of capping of ZnO nanoparticles by salicylate via three different binding modes. Simulations indicate that salicylate undergoes dissociative adsorption at the highly active surface Zn sites via a hydrogen-transfer process, thereby forming a tridentate configuration. The water-mediated interaction also facilitates the dissociative adsorption, leading to two salicylate O atoms coordinating with a surface Zn atom, while the other salicylate O atom bonds with another surface Zn atom. For molecular adsorption, binding free energies indicate that salicylate binds more strongly to ZnO, often in a bidentate configuration, than water does. The formation of the salicylate–ZnO complex is substantiated by UV–visible and Fourier transform infrared spectra. We find that the C=O stretching mode of salicylate becomes softened when it interacts with the nanoparticle, suggesting chemisorption of salicylate on ZnO. Although DFT predicts strong interaction between salicylate and ZnO, ReaxFF MD simulation indicates the moderate interaction between these two components in aqueous solution. Water molecules in close contact with the nanoparticle surface undergo dissociation, thus resulting in a surface hydroxyl, a reactive oxygen species that may influence the nanoparticle’s catalytic properties. Overall, the atomic-level information provided here can guide the selection process of salicylate as an appropriate agent for ZnO nanoparticle synthesis when strong interactions of particles with capping agents are required.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗