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At least 1,783 records · Page 99

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DOE OSTI2021

A crystal plasticity finite element model embedding strain-rate sensitivities inherent to deformation mechanisms: Application to alloy AZ31

We report the fundamental power-law relationship representing the flow rule in crystal visco-plasticity ensures uniqueness in the selection of slip systems accommodating imposed plastic strain-rates. The power-law relationship also introduces an artificially high strain-rate sensitivity in crystal plasticity simulations, unless a high value of the power-law exponent is used. However, the use of high values for the exponent is limited by numerical tractability. This paper presents a numerical method implemented in a crystal plasticity finite element (CPFE) model for embedding any value of the power-law exponent reflecting the true material strain-rate sensitivity. Importantly, the method does not increase computation time involved in the simulations. The enhanced CPFE model is used to interpret and predict a complex strain-rate sensitive response and microstructural evolution of AZ31 Mg alloy. Measured values of strain-rate sensitivity for slip and twinning modes are used in the simulations. Calculations show that the model successfully captures the phenomena pertaining to the effect of changing applied strain-rate on the mechanical response including flow stress and evolution of texture and twinning for a broad range of strain-rates ranging from 10 -3 s -1 to 10 3 s -1 and loading orientations in tension and compression. It is shown that such predictions are a consequence of not only relative amounts of slip and twinning activities driven by a set of accurately characterized hardening law parameters but also values of the strain-rate sensitivities inherent to individual deformation mechanisms. Besides, the model validates the measured strain-rate dependency of deformation mechanisms while accurately reproducing the mechanical data. Hence, the model can be used to verify and further refine or infer measured strain-rate sensitivity per deformation mechanism by reproducing experimental data.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Infinitely rugged intra-cage potential energy landscape in metallic glasses caused by many-body interaction

The absence of translational symmetry in glassy materials poses a significant challenge in establishing effective structure-property relationships in real space. Consequently, the potential energy landscape (PEL) in phase space is widely utilized to comprehend the complex phenomena in glasses. The classical PEL features a two-scale profile comprising mega-basins and sub-basins, corresponding to α-relaxations (e.g. glass transition) and β-relaxations (e.g. local cage-breaking atomic rearrangements), respectively. Recent studies, however, reveal that sub-basins are not smooth and contain finer structures, the origins of which remain elusive. Here we probe the smoothness of sub-basin bottoms in glasses' PEL by introducing small intra-cage cyclic loading and then measuring the net changes in atomic-level stresses. Compared to glasses with pair interaction, glasses with many-body interaction exhibit orders-of-magnitude larger and loading-dependent stress changes even before the first cage-breaking event takes place, which reflect much more feature-rich sub-basins. We further demonstrate this stark contrast stems from the spatial distribution of individual atom's constraining force field. Specifically, at vanishing perturbations, many-body interactions disrupt the positive-definite synchrony in energy variations of the perturbed atom and the whole system, causing inherently less confined atomic responses and infinitely rugged sub-basins. The implications of these findings for the selective addition or removal of fine structures in the PEL and the subsequent tuning of glassy materials' responses to external stimuli are also explored.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Assessment of Galileo modal test results for mathematical model verification

The modal test program for the Galileo Spacecraft was completed at the Jet Propulsion Laboratory in the summer of 1983. The multiple sine dwell method was used for the baseline test. The Galileo Spacecraft is a rather complex 2433 kg structure made of a central core on which seven major appendages representing 30 percent of the total mass are attached, resulting in a high modal density structure. The test revealed a strong nonlinearity in several major modes. This nonlinearity discovered in the course of the test necessitated running additional tests at the unusually high response levels of up to about 21 g. The high levels of response were required to obtain a model verification valid at the level of loads for which the spacecraft was designed. Because of the high modal density and the nonlinearity, correlation between the dynamic mathematical model and the test results becomes a difficult task. Significant changes in the pre-test analytical model are necessary to establish confidence in the upgraded analytical model used for the final load verification. This verification, using a test verified model, is required by NASA to fly the Galileo Spacecraft on the Shuttle/Centaur launch vehicle in 1986.

Trubert, M.↗

NASA NTRS1983

Assessment of a 3-D boundary layer code to predict heat transfer and flow losses in a turbine

The prediction of the complete flow field in a turbine passage is an extremely difficult task due to the complex three dimensional pattern which contains separation and attachment lines, a saddle point and horseshoe vortex. Whereas, in principle such a problem can be solved using full Navier-Stokes equations, in reality methods based on a Navier-Stokes solution procedure encounter difficulty in accurately predicting surface quantities (e.g., heat transfer) due to grid limitations imposed by the speed and size of the existing computers. On the other hand the overall problem is strongly three dimensional and too complex to be analyzed by the current design methods based on inviscid and/or viscous strip theories. Thus there is a strong need for enhancing the current prediction techniques through inclusion of 3-D viscous effects. A potentially simple and cost effective way to achieve this is to use a prediction method based on three dimensional boundary layer (3-DBL) theory. The major objective of this program is to assess the applicability of such a 3-DBL approach for the prediction of heat loads, boundary layer growth, pressure losses and streamline skewing in critical areas of a turbine passage. A brief discussion of the physical problem addressed here along with the overall approach is presented.

Vatsa, V. N.↗

NASA NTRS1992

Sensitivity analysis of dynamic aeroelastic responses

This paper summarizes ongoing research on the sensitivity analysis of dynamic aeroelastic response of wings. Two approaches are being used to express the unsteady aerodynamic loads: (1) the frequency-domain approach, and (2) the state-space approach. The frequency-domain approach is demonstrated on a three-dimensional box wing and the state-space domain approach is demonstrated on a simple two-dimensional sectional model. Three different methods are used to find the sensitivities: (1) a purely finite difference approach, (2) a semi-analytical approach in which an analytical expression is used for calculating the sensitivity of an eigenvalue of the complex valued aeroelastic matrix, however, the derivatives of the components of the matrix are obtained using finite difference, and (3) a semi-analytic approach that differs from (2) in the sense that the sensitivity of the aerodynamic matrix is now obtained analytically. A good agreement is seen between the three sets of results. For the two-dimensional sectional model the results for the sensitivities of the flutter speed with respect to the various parameters are obtained.

Kapania, Rakesh K.↗

NASA NTRS2004

Subsurface Stress Fields In Single Crystal (Anisotropic) Contacts

Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and alternating stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent HCF failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and noncrystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. This paper presents analytical and numerical techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts. The subsurface stress results are required for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades. An analytical procedure is , presented, for evaluating the subsurface stresses in the elastic half-space, using a complex potential method outlined by Lekhnitskii. Numerical results are presented for cylindrical and spherical anisotropic contacts, using finite element analysis. Effects of crystal orientation on stress response and fatigue life are examined.

Arakere, Nagaraj K.↗

NASA NTRS2013

Creep and Environmental Durability of EBC/CMCs Under Imposed Thermal Gradient Conditions

Interest in SiC fiber-reinforced SiC ceramic matrix composite (CMC) environmental barrier coating (EBC) systems for use in high temperature structural applications has prompted the need for characterization of material strength and creep performance under complex aerospace turbine engine environments. Stress-rupture tests have been performed on SiC/SiC composites systems, with varying fiber types and coating schemes to demonstrate material behavior under isothermal conditions. Further testing was conducted under exposure to thermal stress gradients to determine the effect on creep resistance and material durability. In order to understand the associated damage mechanisms, emphasis is placed on experimental techniques as well as implementation of non-destructive evaluation; including electrical resistivity monitoring. The influence of environmental and loading conditions on life-limiting material properties is shown.

Appleby, Matthew↗

DOE OSTI2023

Silica Supported Organometallic Ir I Complexes Enable Efficient Catalytic Methane Borylation

Catalytic C–H borylation is an attractive method for the conversion of the most abundant hydrocarbon, methane (CH 4 ), to a mild nucleophilic building block. However, existing CH 4 borylation catalysts often suffer from low turnover numbers and conversions, which is hypothesized to result from inactive metal hydride agglomerates. Herein we report that the heterogenization of a bisphosphine molecular precatalyst, [(dmpe)Ir(cod)CH 3 ], onto amorphous silica dramatically enhances its performance, yielding a catalyst that is 12-times more efficient than the current standard for CH 4 borylation. The catalyst affords over 2000 turnovers at 150 °C in 16 h with a selectivity of 91.5% for mono- vs diborylation. Higher catalyst loadings improve yield and selectivity for the monoborylated product (H 3 CBpin) with 82.8% yield and >99% selectivity being achieved with 1255 turnovers. X-ray absorption and dynamic nuclear polarization-enhanced solid-state NMR spectroscopic studies identify the supported precatalyst as an Ir I species, and indicate that upon completion of catalysis, multinuclear Ir polyhydrides are not formed. This is consistent with the hypothesis that immobilization of the organometallic Ir species on a surface prevents bimolecular decomposition pathways. Importantly, immobilization of the homogeneous Ir I fragment onto amorphous silica represents a unique and simple strategy to improve the TON and longevity of a CH 4 borylation catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Rate Limiting Regimes in Photochemical H2 Generation by Complexes of Colloidal CdS Nanorods and Hydrogenase

Driving redox enzyme catalysis with photoexcited semiconductor nanocrystals is a compelling approach for chemical conversion. We examined how the interplay of the many chemical steps involved determines the rates of photochemical H2 production with complexes of colloidal CdS nanorods and an [FeFe]-hydrogenase. We elucidated the roles of three critical and previously elusive processes-scavenging of photoexcited holes from nanorods, back-electron transfer, and H2 oxidation. Kinetic Monte Carlo simulations and fitting to experimental data revealed that hole transfer becomes the rate-limiting step at high illumination intensities. Comparisons of simulations to experimental H2 production showed that both back-electron transfer and H2 oxidation play an efficiency-limiting role at high catalyst loadings. This work provides guiding principles for tuning experimental parameters to minimize energy-wasting pathways and optimize photochemical product formation. More broadly, we demonstrate how critical but elusive chemical steps in photochemical reactions can be probed with a combination of experiments and simulations.

08 HYDROGEN↗

DOE OSTI2022

Activating nano-bulk interplays for sustainable ammonia electrosynthesis

Small changes in a catalyst’s composition, modification, and/or integration into a reactor can have significant yet often poorly understood effects on (electro)catalysis. Here we demonstrate the careful tailoring of Ru/La 0.25 Ce 0.75 O 2-x catalysts through the post-synthesized hydrothermal treatment together with control over the Ru loadings to create hydroxyl groups and electronic restructuring for ammonia electrosynthesis. When integrated into a protonic ceramic electrolyzer, the in situ formed Ce 3+ -OH/Ru sites facilitate both the N≡N decoupling and N—H formation at 400 °C and 1 bar of N 2 , boosting the ammonia production rate (2.92 mol h -1 m -2 ) up to 100-fold higher than the current state-of-the-art electrolyzers. Moreover, such catalysts and electrolyzer design concepts can be readily tuned to more complex applications such as coproducing ammonia and other chemicals with hydrocarbons as direct hydrogen sources. Here, the creation of coordinated saturated support –OH/metal sites in the advanced electrolyzer offers an attractive approach for future clean-energy and green-chemical industries.

03 NATURAL GAS↗

DOE OSTI2020

Optimization-based calibration of hydrodynamic drag coefficients for a semisubmersible platform using experimental data of an irregular sea state

For the simulation of the coupled dynamic response of floating offshore wind turbines, it is crucial to calibrate the hydrodynamic damping with experimental data. The aim of this work is to find a set of hydrodynamic drag coefficients for the semisubmersible platform of the Offshore Code Comparison Collaboration, Continuation, with Correlation and unCertainity (OC6) project which provides suitable results for an irregular sea state. Due to the complex interaction of several degrees of freedom (DOF), it is common to calibrate drag coefficients with the time series of decay tests. However, applying these drag coefficients for the simulation of an irregular sea state results in misprediction of the motions. By using numerical optimization, it is possible to calibrate multiple drag coefficients simultaneously and effectively, while also considering several DOF. This work considers time series of structural displacements from wave tank tests of the OC6 project and from simulations of the same load cases in OpenFAST. Results are transferred into the frequency domain and the deviation between power spectral densities of surge, pitch and heave from experiment and numerical simulation is used as an objective function to obtain the best fitting drag coefficients. This novel numerical optimization approach enables finding one set of drag coefficients for different load cases, which is a major improvement compared to decay-test-tuned drag coefficients.

42 ENGINEERING↗

DOE OSTI2024

Structural mechanisms for VMAT2 inhibition by tetrabenazine

The vesicular monoamine transporter 2 (VMAT2) is a proton-dependent antiporter responsible for loading monoamine neurotransmitters into synaptic vesicles. Dysregulation of VMAT2 can lead to several neuropsychiatric disorders including Parkinson’s disease and schizophrenia. Furthermore, drugs such as amphetamine and MDMA are known to act on VMAT2, exemplifying its role in the mechanisms of actions for drugs of abuse. Despite VMAT2’s importance, there remains a critical lack of mechanistic understanding, largely driven by a lack of structural information. Here, we report a 3.1 Å resolution cryo-electron microscopy (cryo-EM) structure of VMAT2 complexed with tetrabenazine (TBZ), a non-competitive inhibitor used in the treatment of Huntington’s chorea. We find TBZ interacts with residues in a central binding site, locking VMAT2 in an occluded conformation and providing a mechanistic basis for non-competitive inhibition. We further identify residues critical for cytosolic and lumenal gating, including a cluster of hydrophobic residues which are involved in a lumenal gating strategy. Our structure also highlights three distinct polar networks that may determine VMAT2 conformational dynamics and play a role in proton transduction. The structure elucidates mechanisms of VMAT2 inhibition and transport, providing insights into VMAT2 architecture, function, and the design of small-molecule therapeutics.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2001

AIRS-Light Instrument Concept and Critical Technology Development

Understanding Earth's climate, atmospheric transport mechanisms, and the hydrologic cycle requires a precise knowledge of global atmospheric circulation, temperature profiles, and water vapor distribution. The accuracy of advanced sounders such as AIRS/AMSU/HSB on NASA's Aqua spacecraft can match radiosonde accuracy. It is essential to fold those capabilities fully into the NPOESS, enabling soundings of radiosonde accuracy, every 6 hours around the globe on an operational basis. However, the size, mass, power demands, and thermal characteristics of the Aqua sounding instrument suite cannot be accommodated on the NPOESS spacecraft. AIRS-Light is an instrument concept, developed under the Instrument Incubator Program, which provides IR sounding performance identical to the AIRS instrument, but uses advances in HgCdTe FPA technology and pulse tube cooler technology, as well as design changes to dramatically reduce the size, mass, and power demand, allowing AIRS-Light to meet all NPOESS spacecraft interface requirements. The instrument concept includes substantial re-use of AIRS component designs, including the complex AIRS FPA, to reduce development risk and cost. The AIRS-Light Instrument Incubator program fostered the development of photovoltaic-mode HgCdTe detector array technology for the 13.5-15.4 micron band covered by photoconductive-mode HgCdTe arrays in AIRS, achieved state of the art results in this band, and substantially reduced the development risk for this last new technology needed for AIRS-Light implementation, A demonstration of a prototype 14.5-15.4 micron band IRFPA in a reduced heat-load dewar together with the IMAS pulse tube cryocooler is in progress.

Maschhoff, Kevin↗

NASA NTRS2001

Biology of bone and how it orchestrates the form and function of the skeleton

The principal role of the skeleton is to provide structural support for the body. While the skeleton also serves as the body's mineral reservoir, the mineralized structure is the very basis of posture, opposes muscular contraction resulting in motion, withstands functional load bearing, and protects internal organs. Although the mass and morphology of the skeleton is defined, to some extent, by genetic determinants, it is the tissue's ability to remodel--the local resorption and formation of bone--which is responsible for achieving this intricate balance between competing responsibilities. The aim of this review is to address bone's form-function relationship, beginning with extensive research in the musculoskeletal disciplines, and focusing on several recent cellular and molecular discoveries which help understand the complex interdependence of bone cells, growth factors, physical stimuli, metabolic demands, and structural responsibilities. With a clinical and spine-oriented audience in mind, the principles of bone cell and molecular biology and physiology are presented, and an attempt has been made to incorporate epidemiologic data and therapeutic implications. Bone research remains interdisciplinary by nature, and a deeper understanding of bone biology will ultimately lead to advances in the treatment of diseases and injuries to bone itself.

Review↗

NASA NTRS2014

Vibro-Acoustic Modulation Based Damage Identification in a Composite Skin-Stiffener Structure

The vibro-acoustic modulation method is applied to a composite skin-stiffener structure to investigate the possibilities to utilize this method for damage identification in terms of detection, localisation and damage quantification. The research comprises a theoretical part and an experimental part. An impact load is applied to the skin-stiffener structure, resulting in a delamination underneath the stiffener. The structure is interrogated with a low frequency pump excitation and a high frequency carrier excitation. The analysis of the response in a frequency band around the carrier frequency is employed to assess the damage identification capabilities and to gain a better understanding of the modulations occurring and the underlying physical phenomena. Though vibro-acoustic is shown to be a sensitive method for damage identification, the complexity of the damage, combined with a high modal density, complicate the understanding of the relation between the physical phenomena and the modulations occurring. more research is recommended to reveal the physics behind the observations.

Ooijevaar, T. H.↗

NASA NTRS2018

Human-in-the-Loop Evaluation of Dynamic Multi-Flight Common Route Advisories

Flights often experience large delays when they are routed around weather. Multi-flight common route advisories provide delay recovery by suggesting time-saving re-routes for groups of flights whose current weather-avoidance routes have become outdated because the weather has dissipated and/or moved away. A laboratory evaluation of these advisories was conducted by four subject matter experts having extensive experience in traffic flow management operations. These experts provided a total of 120 data points in the airspace of Houston Center. The multi-flight common route tool provides time-saving route change advisories taking into account flight plans, wind fields, and the spatio-temporal evolution of predicted convective weather. It is not designed to account for complex operational factors such as non-standard sector traversal and interactions with local traffic management initiatives; hence a relatively low percentage (37%) of advisories generated by the tool were rated as acceptable. However, a high percentage (81%) of advisories were rated as acceptable after the subject matter experts used the tool's user interface to make route modifications that accounted for relevant operational factors not considered by the tool. The workload associated with using the tool, as measured by the NASA Task Load Index, was quite low (1.1 on a scale of 0 to 10). The results of this evaluation make a good case for human-automation teaming to design operationally valid weather re-routes for delay recovery.

Traffic Flow Management↗

NASA NTRS2018

Human-in-the-Loop Evaluation of Dynamic Multi-Flight Common Route Advisories

Traffic Flow Management↗

NASA NTRSDate not supplied

Study of Advanced Occupant Models to Quantify Injury Risk for eVTOL Vehicles

Urban transportation is currently evolving from traditional ground-based vehicles (cars, taxis, and buses) to include air-based electric vertical take-off and landing (eVTOL) vehicles which can be utilized for on-demand transportation, cargo transport, and emergency services. These new eVTOL vehicles are designed to be small, lightweight, and able to operate autonomously without user intervention. Safety is a big part of eventual eVTOL adoption, however gaps in the consideration of safety features exist. Anthropomorphic test devices (ATDs) are used in aerospace crashworthiness standards to quantify occupant injury risk and develop improved safety designs for emergency landing situations, but the ATDs currently used in aircraft certification requirements were developed many decades ago. Developments have occurred over the years involving ATD technology, which includes a host of newer and more biofidelic ATDs such as the Test Device for Human Occupant Restraint (THOR). Increased computing power has also allowed for detailed computational human body models (HBMs) to be created, such as the Global Human Body Model Consortium (GHBMC). This study aims to assess the capability of both HBMs and new ATD designs to identify injury mechanisms within eVTOL relevant emergency landing conditions. Finite element (FE) analysis was used to expand upon full-scale and seat level impact testing conducted by researchers at the National Aeronautics and Space Administration (NASA) to look at effects of occupant model configurations on prediction of injury. The GHBMC HBM and THOR ATD models were simulated in the seat level test conditions to characterize differences between these advanced assessment tools and traditional ATDs in the isolated seat loading environment. Results identified key differences in the responses from each of the models utilized and compared their impact response in head, neck, and spinal injury metrics. The THOR model identified potential risks for head injuries due to head impacts on the seat, however it predicted lower spinal loads than the other occupant surrogates. The GHBMC showed distinctly different biomechanical responses compared to the ATD. The GHBMC model is much more deformable than the ATDs and it exhibited higher distribution of forces and increased sensitivity to the duration of acceleration pulses. Both models incorporated into this study identified key mechanisms for injury that should be considered for passenger safety in the development of these novel aircraft. In addition, this study demonstrated the value of FE modeling for running a variety of complex human surrogates to identify potential injury mechanisms for consideration in regulation and development of new aircraft. Continued research in this field to improve validation these models will only lead to safer aircraft and more comprehensive safety measures.

Crashworthiness↗