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DOE OSTI2020

Reversible (De)Intercalation of Hydrated Zn 2+ in Mg 2+ -Stabilized V 2 O 5 Nanobelts with High Areal Capacity

The rechargeable aqueous zinc ion battery (ZIB) is regarded as one of the most promising candidates for large-scale energy storage applications due to its low-cost and eco-friendly properties. However, the development of a suitable cathode operating with high areal capacity and uncovering the relevant reaction mechanisms remain challenging. Herein, the application of Mg 0.26 V 2 O 5 ∙0.73H 2 O (MVO) nanobelts as a ZIB cathode is demonstrated. In situ FT-IR reveals the shift of OH stretching from 3350 cm -1 to 3200 cm -1 , corresponding to the hydration shell of Zn 2+ , while in situ Raman suggests the interlayer charges creening effect, which would boost the intercalation of hydrated Zn 2+ . Density function theory reveals that the hydrated Zn 2+ can lower the Coulombic repulsion at the electrode-electrolyte interface and circumvents the desolvation penalty of hydrated Zn 2+ during the (de)intercalation process. Additionally, excellent structure stability and large interlayer spacing guarantee the highly reversible (de)intercalation of hydrated Zn 2+ . Therefore, the MVO nanobelts exhibit a high areal capacity of 2.12 mAh cm -2 at 0.05 A g -1 , outstanding cycling stability of 2500 cycles at 10 A g -1 with a mass loading of 5 mg cm -2 . Finally, it is believed that the use of hydrated intercalation charge carriers will boost further studies in other multivalent rechargeable batteries.

25 ENERGY STORAGE↗

DOE OSTI2025

Phosphate-modulated transformation of Sb(V)-bearing ferrihydrite under microbial iron- and sulfate-reducing conditions

Antimony (Sb) is a toxic metalloid that poses environmental risks in terrestrial and aquatic systems. The fate of the Sb(V) oxyanion, Sb(OH) 6 − , is governed by complex biogeochemical processes, including immobilization by ferric (Fe(III)) oxides, reduction by sulfide, and the less-explored competitive adsorption with other anions such as phosphate (PO 4 3− ). Here, this study investigates the interplay between such mechanisms in controlling the behavior of Sb(V) associated with ferrihydrite (Fh) under Fe(III)- and sulfate-reducing conditions, with a particular emphasis on the role of phosphate in influencing Sb(V) mobility and transformation. Anoxic reactors that contained Sb(V)-coprecipitated Fh, varying PO 4 3− concentrations (0, 0.2, and 2 mM), and sulfate, were inoculated with a microbial community sourced from Sb-contaminated soil. Additionally, abiotic reactors with either Sb(V)-adsorbed or Sb(V)-coprecipitated Fh and different PO 4 3− loadings (0–100 mM) were created to investigate the competitive adsorption mechanisms in the absence of microbial activity. Results from the abiotic reactors suggest that Sb(V) is likely incorporated into the Fh structure, with only minor amounts remaining surface-bound and extractable by PO 4 3− . In the biotic reactors, microbial Fe(III) and sulfate reduction were more extensive in the presence of PO 4 3− . At 0.2 mM PO 4 3− , microbial activity transformed Fh into siderite and led to the complete reduction of Sb(V) to Sb(III) as stibnite (Sb 2 S 3 ). At 2 mM PO 4 3− , the greater coverage by PO 4 3− stabilized Fh and decreased the extent of both Fe(III) and Sb(V) reduction, and shifted the reduced products to mackinawite and Sb(III) adsorbed onto Fh, in addition to stibnite formation. This study demonstrates that while PO 4 3− may not directly compete with Sb(V) for sorption sites, it can influence Sb mobility in Fe(III)- and sulfate-reducing environments by enhancing microbial activity and altering the mineralization pathways.

Microbial Fe(III) and sulfate reduction↗

DOE OSTI2024

Counter Data Paucity through Adversarial Invariance Encoding: A Case Study on Modeling Battery Thermal Runaway

Lithium-ion batteries, widely used for their durability and high energy storage, face the risk of internal short circuits leading to catastrophic thermal runaway events. These events, triggered by external stimuli like mechanical loads, pose safety concerns in applications such as electric vehicles. Detecting and understanding thermal runaway events is crucial, but physics-driven models struggle to explain the non-linear evolution of battery temperature during these events, considering factors like material composition and state-of-charge. Due to the rarity of these events and the cost of data collection, we propose a deep learning (DL) model to predict battery temperature responses during thermal runaway. The challenge lies in the scarcity of data, making traditional DL models prone to overfitting and learning low-quality representations of the complex process.Our approach introduces a novel few-shot architecture that incorporates an adversarially governed invariant encoding process. This architecture aims to distill "invariant" relationships by addressing distributional shifts in data across various battery properties, facilitating the detection of thermal runaway events. Specifically, our results demonstrate that deep learning models conditioned on these "invariant" representations outperform state-of-the-art baselines, achieving a remarkable 96.8% performance improvement in terms of the popular metric MAPE. This framework presents a promising direction for enhancing battery safety modeling, particularly in the context of rare and complex events like thermal runaway. Our code and code and dataset used for the paper are public1.

Tabassum, Anika [ORNL] (ORCID:0000000254600955)↗

NASA NTRS2018

Aeroelastic Uncertainty Quantification of a Low-Boom Aircraft Configuration

As the state of the art in uncertainty quantification for low-boom aircraft advances, the underlying assumption of a rigid airframe must be revisited. The goal of this research is to investigate the impact of uncertainties in aeroelastic deformation of a low-boom aircraft on ground noise. Variations in structural properties and uncertainties in loading, derived from flight conditions, both factor into the overall aeroelastic deformation and subsequently the ground noise. Incorporation of these aeroelastic uncertainties in the prediction of ground noise during the design phase can lead to improved robustness. In this paper, a review of methodologies and techniques employed in low-boom uncertainty quantification will be given. In addition, methods for aeroelastic uncertainty quantification are integrated into the previous work and a generalized set of procedures is established. In a case study implementing the analysis procedures, ground noise generated from a static aeroelastic deformed low-boom aircraft increased slightly over that from the undeformed geometry for both undertrack and offtrack angles. Ground noise sensitivities to uncertainties in near field conditions and structural parameters varied significantly with atmospheric profiles. Shifts in confidence interval width in addition to shifts in deterministic values of ground noise were observed while varying atmospheric conditions.

Phillips, Benjamin D.↗

NASA NTRSDate not supplied

TPSAS-NF1676L-10947-DND

There are large uncertainties in quantifying dust effects on the climate because of the limitations on the measurements and observations of dust-cloud-precipitation-dynamics interactions. As a major terrestrial source of atmospheric aerosols, dusts may serve as a significant climate forcing for the changing climate due to its effect on solar and thermal radiation as well as on clouds and precipitation processes. Latest satellites measurements enable us to determine dust loadings and cloud distributions and can potentially be used to reduce the uncertainties in the estimations of aerosol effects on climate. This study uses sensors on various satellites to investigate the impact of mineral dust on cloud microphysical and precipitation processes in convective systems. A trans-Atlantic dust outbreak of Saharan origin occurring in early March 2004 is considered. For the observed convective systems under a given convective strength, small hydrometeors were found more prevalent in the dusty stratiform regions than in those regions that were dust free. Evidence of abundant cloud ice particles in the dust regions, particularly at altitudes where heterogeneous nucleation of mineral dust prevails, further supports the observed changes of clouds and precipitation. These microphysical effects of the dusts on clouds are to shift the size spectrum of precipitation-sized hydrometeors from heavy precipitation to light precipitation and ultimately to suppress precipitation and increase the lifecycle of cloud systems, especially for stratiform clouds.

B Lin↗

NASA NTRS1999

Damage Tolerance Issues as Related to Metallic Rotorcraft Dynamic Components

In this paper issues related to the use of damage tolerance in life managing rotorcraft dynamic components are reviewed. In the past, rotorcraft fatigue design has combined constant amplitude tests of full-scale parts with flight loads and usage data in a conservative manner to provide "safe life" component replacement times. In contrast to the safe life approach over the past twenty years the United States Air Force and several other NATO nations have used damage tolerance design philosophies for fixed wing aircraft to improve safety and reliability. The reliability of the safe life approach being used in rotorcraft started to be questioned shortly after presentations at an American Helicopter Society's specialist meeting in 1980 showed predicted fatigue lives for a hypothetical pitch-link problem to vary from a low of 9 hours to a high in excess of 2594 hours. This presented serious cost, weight, and reliability implications. Somewhat after the U.S. Army introduced its six nines reliability on fatigue life, attention shifted towards using a possible damage tolerance approach to the life management of rotorcraft dynamic components. The use of damage tolerance in life management of dynamic rotorcraft parts will be the subject of this paper. This review will start with past studies on using damage tolerance life management with existing helicopter parts that were safe life designed. Also covered will be a successful attempt at certifying a tail rotor pitch rod using damage tolerance, which was designed using the safe life approach. The FAA review of rotorcraft fatigue design and their recommendations along with some on-going U.S. industry research in damage tolerance on rotorcraft will be reviewed.

Everett, R. A., Jr.↗

NASA NTRS2005

Damage Tolerance Issues as Related to Metallic Rotorcraft Dynamic Components

Everett, R. A., Jr.↗

DOE OSTI2024

NO Reduction with CO on Low‐loaded Platinum‐group Metals (Rh, Ru, Pd, Pt, and Ir) Atomically Dispersed on Ceria

Abstract Low‐loaded platinum‐group single‐atom catalysts on CeO 2 (M 1 /CeO 2 ) were synthesized via high‐temperature atom trapping (AT) and tested for the NO+CO reaction under dry and wet conditions. The activity of these catalysts for NO+CO reaction follows the order Rh>Pd≈Ru>Pt>Ir. For Rh, Ru, and Pd single‐atom catalysts, the N 2 O byproduct is formed but not clearly observed in Ir and Pt cases, which may result from the higher reaction temperature (>200 °C) required for Pt and Ir catalysts. The presence of water can promote the activity of these M 1 /CeO 2 catalysts for the NO+CO reaction. Under wet conditions, significant NH 3 formation occurred during the reaction, which is due to the co‐existence of water‐gas‐shift reaction on these catalysts. Compared with Pt, Pd and Ir, the Rh and Ru single‐atom catalysts show higher selectivity to NH 3 species, resulting from the hydride species on the surface. Among all tested catalysts, Ru 1 /CeO 2 shows the highest production of ammonia and highest CO conversion due to excellent water‐gas‐shift activity, whereas Pd 1 /CeO 2 shows lowest ammonia production. Rh 1 /CeO 2 shows the best low temperature NO reduction activity among all tested catalysts.

Tian, Jinshu↗

NASA NTRS1986

Laser velocimeter measurements in shrouded and unshrouded radial flow pump impellers

Shrouded and unshrouded versions of a four-vaned radial flow impeller with a design flow coefficient of 0.063 were tested in a volute pump using a two-component frequency-shifted laser velocimeter. Velocity profiles were measured at six flow rates and at four radial and six circumferential positions in the volute. The variations of the velocity from blade to blade and in the axial direction were measured and are presented. A passage vortex caused by tip leakage and relative casing wall velocity was found in the unshrouded impeller. The tip leakage did not accumulate in the suction wake region; the suction wake region was only 30 to 50 percent as large in the unshrouded impeller as compared to the shrouded impeller. The slip was 30 percent higher in the unshrouded impeller and the variation of slip with flow rate is presented. At no measured position in the impellers did the slip factor reach unity; the closest approach was 0.90. Reverse loadings of the vanes at outer radii were found for flow rates below the impeller/volute matching point for both impellers.

Hamkins, C. P.↗

NASA NTRS2002

Effect of surface roughness on liquid property measurements using mechanically oscillating sensors

The resonant frequency and quality factor Q of a liquid immersed magnetoelastic sensor are shown to shift linearly with the liquid viscosity and density product. Measurements using different grade oils, organic chemicals, and glycerol-water mixtures show that the surface roughness of the sensor in combination with the molecular size of the liquid play important roles in determining measurement sensitivity, which can be controlled through adjusting the surface roughness of the sensor surface. A theoretical model describing the sensor resonant frequency and quality factor Q as a function of liquid properties is developed using a novel equivalent circuit approach. Experimental results are in agreement with theory when the liquid molecule size is larger than the average surface roughness. However, when the molecular size of the liquid is small relative to the surface roughness features molecules are trapped, and the trapped molecules act both as a mass load and viscous load; the result is higher viscous damping of the sensor than expected. c2002 Elsevier Science B.V. All rights reserved.

Non-NASA Center↗

NASA NTRS2010

Changes in Stratiform Clouds of Mesoscale Convective Complex Introduced by Dust Aerosols

Aerosols influence the earth s climate through direct, indirect, and semi-direct effects. There are large uncertainties in quantifying these effects due to limited measurements and observations of aerosol-cloud-precipitation interactions. As a major terrestrial source of atmospheric aerosols, dusts may serve as a significant climate forcing for the changing climate because of its effect on solar and thermal radiation as well as on clouds and precipitation processes. Latest satellites measurements enable us to determine dust aerosol loadings and cloud distributions and can potentially be used to reduce the uncertainties in the estimations of aerosol effects on climate. This study uses sensors on various satellites to investigate the impact of mineral dust on cloud microphysical and precipitation processes in mesoscale convective complex (MCC). A trans-Atlantic dust outbreak of Saharan origin occurring in early March 2004 is considered. For the observed MCCs under a given convective strength, small hydrometeors were found more prevalent in the dusty stratiform regions than in those regions that were dust free. Evidence of abundant cloud ice particles in the dust regions, particularly at altitudes where heterogeneous nucleation of mineral dust prevails, further supports the observed changes of clouds and precipitation. The consequences of the microphysical effects of the dust aerosols were to shift the size spectrum of precipitation-sized hydrometeors from heavy precipitation to light precipitation and ultimately to suppress precipitation and increase the lifecycle of cloud systems, especially over stratiform areas.

Lin, B.↗

NASA NTRS1990

Describing-function analysis of a ripple regulator with slew-rate limits and time delays

The effects of time delays and slew-rate limits on the steady-state operating points and performance of a free-running ripple regulator are evaluated using describing-function analysis. The describing function of an ideal comparator (no time delays or slew rate limits) has no phase shift and is independent of frequency. It is found that turn-on delay and turn-off delay have different effects on gain and phase and cannot be combined. Comparator hysteresis affects both gain and phase; likewise, time delays generally affect both gain and phase. It is found that the effective time delay around the feedback loop is one half the sum of turn-on and turn-off delays, regardless of whether the delays are caused by storage time or slew rate limits. Expressions are formulated for the switching frequency, switch duty ratio, dc output, and output ripple. For the case of no hysteresis, a simple, graphical solution for the switching frequency is possible, and the resulting switching frequency is independent of first-order variations of input or load.

Wester, Gene W.↗

NASA NTRS1993

Activity-induced regulation of myosin isoform distribution - Comparison of two contractile activity programs

This study examined the role of specific types of contractile activity in regulating myosin heavy chain (MHC) isoform expression in rodent soleus. A combination of hindlimb suspension (SN) and two programmed contractile training activity paradigms, either isometric contractile activity (ST-IM) or high-load slowly shortening isovelocity activity, were utilized. Both training paradigms increased muscle mass compared with SN alone. However, only ST-IM resulted in a partial prevention of the suspension-induced decrease in type I MHC. With the use of a fluorescently labeled antibody to type IIa MHC, the distribution of MHCs among fibers was examined immunohistochemically. In SN, the percentage of cells staining positive for type IIa MHC was increased but the staining intensity of the positively staining cells was unchanged compared with control cells. In the ST-IM soleus, the percentage of positively staining fibers was unchanged but the intensity of the positively staining cells was decreased compared with SN values. These results suggest that 1) isometric contractile activity is more effective than isovelocity activity in preventing suspension-induced shifts in soleus MHC distribution and 2) changes associated with both suspension and training occur in only a small number of fibers, with the majority of fibers apparently unresponsive to these interventions.

Diffee, Gary M.↗

DOE OSTI2024

The Effect of Grain Boundary Facet Junctions on Segregation and Embrittlement

Junctions are discontinuities in flat grain boundaries that arise in all polycrystalline materials and are thought to play important roles in the response of a grain boundary network to thermal and mechanical loads. A key open question concerns the mechanisms by which solute segregation to junctions impacts properties of the grain boundary. Here, in this work, we investigate the influence of grain boundary facet junctions on solute embrittlement, and we present an analytical model that uses the hydrostatic stress field contributed by dislocations at multiple junctions to describe these effects. Specifically, we study junctions between {112} facets of various lengths in Au $\langle111\rangle$ Σ3 tilt grain boundaries. Copper and silver solutes are employed to determine if the effect of junctions on solute segregation and embrittlement is dependent on size relative to the host. Combined, atomistic simulation data and the analytical model show that Cu and Ag have opposite segregation responses to junctions due to the sign of the hydrostatic stress field induced by junctions. However, a positive shift in the embrittling potency is computed near junctions regardless of solute type or the stress state of the segregation site. Hence, for the conditions studied, junctions consistently shift the energetic landscape towards embrittlement.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Molecular Weight Effects on the Viscoelastic Response of a Polyimide

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC -SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of each material with different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of approximately 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly.

Nicholson, Lee M.↗

DOE OSTI2021

Sustainable Campus with PEV and Microgrid

Market penetration of electric vehicles (EVs) is gaining momentum, as is the move towards increasingly distributed, clean and renewable electricity sources. EV charging shifts a significant portion of transportation energy use onto building electricity meters. Hence, integration strategies for energy-efficiency in buildings and transport sectors are of increasing importance. This paper focuses on a portion of that integration: the analysis of an optimal interaction of EVs with a building-serving transformer, and coupling it to a microgrid that includes PV, a fuel cell and a natural gas micro-turbine. The test-case is the Nanyang Technological University (NTU), Singapore campus. The system under study is the Laboratory of Clean Energy Research (LaCER) Lab that houses the award winning Microgrid Energy Management System (MG-EMS) project. The paper analyses three different case scenarios to estimate the number of EVs that can be supported by the building transformer serving LaCER. An approximation of the actual load data collected for the building into different time intervals is performed for a transformer loss of life (LOL) calculation. The additional EV loads that can be supported by the transformer with and without the microgrid are analyzed. The numbers of possible EVs that can be charged at any given time under the three scenarios are also determined. The possibility of using EV fleet at NTU campus to achieve demand response capability and intermittent PV output leveling through vehicle to grid (V2G) technology and building energy management systems is also explored.

Singh, Reshma↗

DOE OSTI2021

Novel Geochemistry Determined from High Pressure, High Temperature Simulation Experiments of Hydraulic Fracture Test Site 2

A standard method in unconventional oil and gas production is the process of hydraulic fracturing followed by a shut-in period, during which the fracture fluid remains pressurized in the reservoir for up to three weeks before production begins. Despite this widely used process, very little is known about what occurs in the reservoir during this shut-in process. In order to properly delineate potential reservoir reactions that may occur during shut-in that would lead to corrosion and scaling events, experiments were conducted in high pressure, high temperature reactors to simulate conditions of the Wolfcamp Formation in the Delaware Basin. Experimental design allowed the assessment of the effect of proppant, microbiology, and time on the mineralogy and fluid chemistry in the reservoir. Results suggest the biggest impact on fluid chemistry and shale mineralogy during shut-in is time. Analyses demonstrate dissolution of the shale material, with maximum dissolved ions occurring after 7 days of the shut-in period. After 21 days, results suggest precipitation occurs. The Delaware Basin is demonstrated to be high in sulfate content, which further increases in the fluid due to dissolution reactions during shut-in. The pressure vessel experiments suggest there was no significant contribution to reactions from microbiology during the shut-in period. Furthermore, early production samples demonstrate a significant selection of the microorganism Caminicella, a genus of which has previously been correlated to corrosion and sulfide production. Results suggest shut-in conditions may provide high sulfate concentrations that could later be utilized by a shifted microbial community to drive potential well infrastructure failure. This is the first study to incorporate microbiology, mineralogy, and fluid chemistry to investigate the fundamental geochemical reactions that occur during shut-in and early phase production of the Delaware Downloaded from http://onepetro.org/URTECONF/proceedings-pdf/21URTC/2-21URTC/D021S032R001/2477425/urtec-2021-5219-ms.pdf/1 by Carol Worster on 28 February 2022 Basin. Results from this study can complement observations from the Hydraulic Fracture Test Site 2 observations

58 GEOSCIENCES↗

NASA NTRS1990

Repeated buckling of composite shear panels

Failures in service of aerospace structures and research at the Technion Aircraft Structures Laboratory have revealed that repeatedly buckled stiffened shear panels might be susceptible to premature fatigue failures. Extensive experimental and analytical studies have been performed at Technion on repeated buckling, far in excess of initial buckling, for both metal and composite shear panels with focus on the influence of the surrounding structure. The core of the experimental investigation consisted of repeated buckling and postbuckling tests on Wagner beams in a three-point loading system under realistic test conditions. The effects of varying sizes of stiffeners, of the magnitude of initial buckling loads, of the panel aspect ratio and of the cyclic shearing force, V sub cyc, were studied. The cyclic to critical shear buckling ratios, (V sub cyc/V sub cr) were on the high side, as needed for efficient panel design, yet all within possible flight envelopes. The experiments were supplemented by analytical and numerical analyses. For the metal shear panels the test and numerical results were synthesized into prediction formulas, which relate the life of the metal shear panels to two cyclic load parameters. The composite shear panels studied were hybrid beams with graphite/epoxy webs bonded to aluminum alloy frames. The test results demonstrated that composite panels were less fatigue sensitive than comparable metal ones, and that repeated buckling, even when causing extensive damage, did not reduce the residual strength by more than 20 percent. All the composite panels sustained the specified fatigue life of 250,000 cycles. The effect of local unstiffened holes on the durability of repeatedly buckled shear panels was studied for one series of the metal panels. Tests on 2024 T3 aluminum panels with relatively small unstiffened holes in the center of the panels demonstrated premature fatigue failure, compared to panels without holes. Preliminary tests on two graphite epoxy shear panels with small holes in the center showed no similar fatigue life degradation and no shift in failure mode. Further tests on the effect of holes are in progress.

Singer, Josef↗