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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Short-Term Inhibition and Long-Term Enhancement of Irreversible Trace Metal Binding to Goethite in Multi-Metal Systems

Iron (oxyhydr)oxide minerals are important sorbents of trace metals in aquatic environments. Adsorption–desorption hysteresis has been documented for trace metals after aging, suggesting that they become incorporated over time. We previously found that ion size controls the extent of irreversible metal binding of single metals to goethite. In this study, we evaluate how the presence of multiple metals influences irreversible binding. Mixed Ni–Zn and Ni–Cd solutions were aged with goethite at pH 7 for 2 days, 30 days, and 60 days, after which isotope exchange experiments were performed to assess the lability of the adsorbed metal pools. After 2 days of aging, Ni and Cd in mixed-metal systems were more labile than in single-metal systems, indicating that competitive adsorption may partially block irreversible binding on short time scales. After 60 days, all three metals had larger irreversibly bound fractions than in single-metal systems. X-ray absorption near-edge structure (XANES) spectroscopy indicates that irreversibly bound fractions correlate with incorporation into goethite. This study demonstrates that pools of coadsorbed metals are bioaccessible on a time scale of minutes. Cooperative effects promote the structural sequestration of even large trace metals, causing reactive transport models to likely overpredict metal mobility. Long-term metal entrapment processes hinder micronutrient availability, impact contaminant sequestration and critical mineral recovery, and yield complex pathways through which metal solubilization may be enhanced or hindered during redox cycling.

58 GEOSCIENCES↗
DOE OSTI2024

Reversible, irreversible, and mixed regimes for periodically driven disks in random obstacle arrays

We examine an assembly of repulsive disks interacting with a random obstacle array under a periodic drive and find a transition from reversible to irreversible dynamics as a function of drive amplitude or disk density. At low densities and drives, the system rapidly forms a reversible state where the disks return to their exact positions at the end of each cycle. In contrast, at high amplitudes or high densities, the system enters an irreversible state where the disks exhibit normal diffusion. Between these two regimes, there can be an intermediate irreversible state where most of the system is reversible, but localized irreversible regions are present that are prevented from spreading through the system due to a screening effect from the obstacles. Here, we also find states that we term “combinatorial reversible states” in which the disks return to their original positions after multiple driving cycles. In these states, individual disks exchange positions but form the same configurations during the subcycles of the larger reversible cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2000

Time-Dependent Reversible-Irreversible Deformation Threshold Determined Explicitly by Experimental Technique

Structural materials for the design of advanced aeropropulsion components are usually subject to loading under elevated temperatures, where a material's viscosity (resistance to flow) is greatly reduced in comparison to its viscosity under low-temperature conditions. As a result, the propensity for the material to exhibit time-dependent deformation is significantly enhanced, even when loading is limited to a quasi-linear stress-strain regime as an effort to avoid permanent (irreversible) nonlinear deformation. An understanding and assessment of such time-dependent effects in the context of combined reversible and irreversible deformation is critical to the development of constitutive models that can accurately predict the general hereditary behavior of material deformation. To this end, researchers at the NASA Glenn Research Center at Lewis Field developed a unique experimental technique that identifies the existence of and explicitly determines a threshold stress k, below which the time-dependent material deformation is wholly reversible, and above which irreversible deformation is incurred. This technique is unique in the sense that it allows, for the first time, an objective, explicit, experimental measurement of k. The underlying concept for the experiment is based on the assumption that the material s time-dependent reversible response is invariable, even in the presence of irreversible deformation.

Castelli, Michael G.↗
NASA NTRS2011

Variability of Irreversible Poleward Transport in the Lower Stratosphere

The ascent and descent of the Brewer-Dobson circulation plays a large role in determining the distributions of many constituents in the extratropical lower stratosphere. However, relatively fast, quasi-horizontal transport out of the tropics and polar regions also significantly contribute to determining these distributions. The tropical tape recorder signal assures that there must be outflow from the tropics into the extratropical lower stratosphere. The phase of the quasi-biennial oscillation (QBO) and state of the polar vortex are known to modulate the transport from the tropical and polar regions, respectively. In this study we examine multiple years of ozone distributions in the extratropical lower stratosphere observed by the Aura Microwave Limb Sounder (MLS) and the Aura High Resolution Dynamic Limb Sounder (HIRDLS). The distributions are compared with analyses of irreversible, meridional isentropic transport. We show that there is considerable year-to-year seasonal variability in the amount of irreversible transport from the tropics, which is related to both the phase of the QBO and the state of the polar vortex. The reversibility of the transport is consistent with the number of observed breaking waves. The variability of the atmospheric index of refraction in the lower stratosphere is shown to be significantly correlated with the wave breaking and amount of irreversible transport. Finally, we will show that the seasonal extratropical stratosphere to troposphere transport of ozone can be substantially modulated by the amount of irreversible meridional transport in the lower stratosphere and we investigate how observable these differences are in data of tropospheric ozone.

Olsen, Mark↗
DOE OSTI2023

Reversible and Irreversible Layer Edge Relaxation in Laser–Radiation–Hardened 2D Organic–Inorganic Perovskite Crystals

The layer edge states or low energy state (LES) in 2D hybrid organic–inorganic perovskites demonstrate a prolonged carrier lifetime for better performance of optoelectronic devices. However, the fundamental understanding of LES in 2D perovskites is still inconclusive. Herein, a photoluminescence (PL) study of LES in 2D Ruddlesden–Popper perovskites is presented with n = 2 and n = 3 from their cleaved cross sections that are more stable than the natural edge. The PL measurements clearly observe reversible, and irreversible surface relaxations (case I and case II) in three laser intensity ranges, further supported by a PL excitation cycle from low to high laser intensity, and vice versa. The PL wavelength of LES is tunable with laser intensity and blueshifts with increasing laser intensity during irreversible surface relaxation process (case I). Fluorescence lifetime imaging (FLIM) shows that the LES has a longer lifetime than the band-edge emission in the sample without a photodegradation, while the BE lifetime becomes relatively longer in the area with a photodegradation. Furthermore, the presented laser tunable LES and the related irreversible relaxation process provide a new insight that can help improve the photostability in 2D perovskites and understand roles of LESs in optoelectronic device performance.

2D organic-inorganic perovskite↗
DOE OSTI2024

Irreversible Trace Metal Binding to Goethite Controlled by the Ion Size

The dynamics of trace metals at mineral surfaces influence their fate and bioaccessibility in the environment. Trace metals on iron (oxyhydr)oxide surfaces display adsorption–desorption hysteresis, suggesting entrapment after aging. However, desorption experiments may perturb the coordination environment of adsorbed metals, the distribution of labile Fe(III), and mineral aggregation properties, influencing the interpretation of labile metal fractions. Here, in this study, we investigated irreversible binding of nickel, zinc, and cadmium to goethite after aging times of 2–120 days using isotope exchange. Dissolved and adsorbed metal pools exchange rapidly, with half times <90 min, but all metals display a solid-associated fraction inaccessible to isotope exchange. The size of this nonlabile pool is the largest for nickel, with the smallest ionic radius, and the smallest for cadmium, with the largest ionic radius. Spectroscopy and extractions suggest that the irreversibly bound metals are incorporated in the goethite structure. Rapid exchange of labile solid-associated metals with solution demonstrates that adsorbed metals can sustain the dissolved pool in response to biological uptake or fluid flow. Trace metal fractions that irreversibly bind following adsorption provide a contaminant sequestration pathway, limit the availability of micronutrients, and record metal isotope signatures of environmental processes.

58 GEOSCIENCES↗
DOE OSTI2024

Irreversible Trace Metal Binding to Goethite Controlled by the Ion Size

The dynamics of trace metals at mineral surfaces influence their fate and bioaccessibility in the environment. Trace metals on iron (oxyhydr)oxide surfaces display adsorption–desorption hysteresis, suggesting entrapment after aging. However, desorption experiments may perturb the coordination environment of adsorbed metals, the distribution of labile Fe(III), and mineral aggregation properties, influencing the interpretation of labile metal fractions. In this study, we investigated irreversible binding of nickel, zinc, and cadmium to goethite after aging times of 2–120 days using isotope exchange. Dissolved and adsorbed metal pools exchange rapidly, with half times <90 min, but all metals display a solid-associated fraction inaccessible to isotope exchange. The size of this nonlabile pool is the largest for nickel, with the smallest ionic radius, and the smallest for cadmium, with the largest ionic radius. Spectroscopy and extractions suggest that the irreversibly bound metals are incorporated in the goethite structure. Rapid exchange of labile solid-associated metals with solution demonstrates that adsorbed metals can sustain the dissolved pool in response to biological uptake or fluid flow. Trace metal fractions that irreversibly bind following adsorption provide a contaminant sequestration pathway, limit the availability of micronutrients, and record metal isotope signatures of environmental processes.

58 GEOSCIENCES↗
NASA NTRS1974

Irreversibility

The principles of thermodynamics in relation to the irreversibility of real processes in nature are examined, taking into account an analogy used by Gibbs to present a picture concerning the time evolution of a complicated dynamical system. The significance of quantum-mechanics relations with respect to irreversibility considerations is explored. It is shown that quantum mechanical uncertainties are not necessarily required to obtain irreversibility.

Lamb, W. E., Jr.↗
NASA NTRS1999

Estimating Temperature Rise Due to Flashlamp Heating Using Irreversible Temperature Indicators

One of the nondestructive thermography inspection techniques uses photographic flashlamps. The flashlamps provide a short duration (about 0.005 sec) heat pulse. The short burst of energy results in a momentary rise in the surface temperature of the part. The temperature rise may be detrimental to the top layer of the part being exposed. Therefore, it is necessary to ensure the nondestructive nature of the technique. Amount of the temperature rise determines whether the flashlamp heating would be detrimental to the part. A direct method for the temperature measurement is to use of an infrared pyrometer that has much shorter response time than the flash duration. In this paper, an alternative technique is given using the irreversible temperature 'indicators. This is an indirect technique and it measures the temperature rise on the irreversible temperature indicators and computes the incident heat flux. Once the heat flux is known, the temperature rise on the part can be computed. A wedge shaped irreversible temperature indicator for measuring the heat flux is proposed. A procedure is given to use the wedge indicator.

Koshti, Ajay M.↗
NASA NTRS2010

Interannual Variability of Ozone in the Winter Lower Stratosphere and the Relationship to Lamina and Irreversible Transport

We use the high-resolution dynamic limb sounder (HIRDLS) high-vertical resolution ozone profiles in the northern hemisphere lower stratosphere to examine the meridional transport out of the tropics. We focus on February 2005.2007 when there are differences in the dynamical background in the lower stratosphere due to the states of the quasibiennial oscillation and polar vortex. HIRDLS data reveal a large number of low ozone laminae that have the characteristics of tropical air at midlatitudes. More laminae are observed in February in 2006 than in 2005 or 2007. Because laminae can form, move out of the tropics, and return to the tropics without mixing into the midlatitude ozone field, the number of laminae is not directly related to the net transport. We use equivalent latitude coordinates to discriminate between reversible and irreversible laminar transport. The equivalent latitude analysis shows greater irreversible transport between the tropics and lower midlatitudes in both 2005 and 2007 compared to 2006 despite the higher number of laminae observed in 2006. Our conclusion that there was more irreversible transport of tropical air into the lower midlatitudes in 2005 and 2007 is supported by equivalent length analysis of mixing using microwave limb sounder N2O measurements. This study shows that reversibility must be considered in order to infer the importance of lamination to net transport.

Olsen, Mark A.↗
DOE OSTI2024

Reversible to irreversible transitions for ac driven skyrmions on periodic substrates

Abstract Using atomistic simulations, we investigate the dynamical behavior of magnetic skyrmions in dimer and trimer molecular crystal arrangements, as well as bipartite lattices at 3/2 and 5/2 fillings, under ac driving over a square array of anisotropy defects. For low ac amplitudes, at all fillings reversible motion appears in which the skyrmions return to their original positions at the end of each ac drive cycle and the diffusion is zero. We also identify two distinct irreversible regimes. The first is a translating regime in which the skyrmions form channels of flow in opposing directions and translate by one substrate lattice constant per ac drive cycle. The translating state appears in the dimer and trimer arrangements, and produces pronounced peaks in the diffusivity in the direction perpendicular to the external drive. For larger ac amplitudes, we find chaotic irreversible motion in which the skyrmions can randomly exchange places with each other over time, producing long-time diffusive behavior both parallel and perpendicular to the ac driving direction.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Irreversible Catalyst Deactivation Mechanisms of PdO/γ-Al 2 O 3 Catalysts for Lean Methane Oxidation

PdO/γ-Al 2 O 3 catalysts suffer from gradual and irreversible catalyst deactivation under lean CH 4 oxidation conditions, especially in a wet feed. Here, time-resolved CO chemisorption DRIFTS measurements are conducted systematically on a series of PdO/γ-Al 2 O 3 catalysts to probe the surface reactivity of PdO nanoparticles after various in situ pretreatments. At 80 °C, CO barely adsorbs on fully oxidized PdO surfaces but interacts with coordinatively unsaturated Pd sites, causing gradual reduction of the PdO surfaces. This results in the formation of characteristic IR bands on various metallic Pd 0 sites. By monitoring and comparing the formation kinetics of these IR bands on samples before and after CH 4 oxidation, we theorize that the irreversible catalyst deactivation during CH 4 oxidation is caused by PdO surface reconstruction, in which coordinatively unsaturated Pd sites gradually become fully coordinated by oxygen. Effectively, the surface reconstruction leads to the formation of a passivation layer on the PdO nanoparticles, which hinders their ability in activating CH 4 , and hence the subsequent oxidation reaction. Temperature-programmed reduction with CO as the reductant (CO-TPR) reveals that the passivation layer formed during CH 4 oxidation is significant enough to increase the reduction temperature of PdO nanoparticles of the 3.0% PdO/γ-Al 2 O 3 samples, although such an effect is less obvious for the 0.4% PdO/γ-Al 2 O 3 samples. On the other hand, it is also discovered that the passivation layer is not completely inert. Under certain reaction conditions, with some being relatively mild, such as low-temperature CO oxidation in a net lean atmosphere and in the presence of H 2 O, the passivation layer can undergo structure change which results in regeneration or even activation of CH 4 oxidation activity of an already deactivated catalyst. Additionally, it is discovered that the fully coordinated Pd–O surface is a metastable phase under CH 4 oxidation conditions. In the presence of H 2 O and at ambient temperatures, surfaces with coordinatively unsaturated Pd sites are thermodynamically more favorable.

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

Dynamics of inverse metal oxides on metal catalysts using spectro-kinetics: reversible Brønsted acid site formation and irreversible reduction

Brønsted acid sites (BASs) in inverse catalysts are vital for the selective hydrogenolysis of polyols, specifically cleaving secondary C–O bonds. These BASs form dynamically in situ in an H 2 environment. While H 2 enables rapid BAS generation on short timescales, it reduces the catalyst at prolonged exposures. The active center for BAS generation, the kinetics of BAS formation, its reverse decomposition, and the irreversible oxide reduction have lacked direct experimental evidence. Here, aided by advanced spectro-kinetic studies, we identify trimeric W 3 O x sites on Pt as the active centers for BAS generation, whereas isolated WO x species on SiO 2 act merely as spectator species, demonstrated using an inverse WO x /Pt catalyst as a representative system. A detailed kinetic profile capturing the dynamics of W 3 O x sites on Pt is also established. The rate constant for BAS formation is two orders of magnitude higher than for its decomposition, which is one order of magnitude faster than the irreversible site reduction. Co-fed H 2 O suppresses the site reduction by ∼50%. Furthermore, the H 2 partial pressure plays an important role. While lower gas-phase H 2 partial pressure does not influence the reversible BAS formation, it can significantly (∼3×) suppress catalyst reduction. Finally, these findings offer critical insights into optimizing reaction conditions through periodic H 2 pulsing, enhancing catalyst stability and performance in hydrogenolysis reactions.

Sourav, Sagar [Indian Inst. of Technology (IIT), M↗
DOE OSTI2023

Variation of effective filament diameter, irreversibility field, anisotropy, and pinning efficiency in Bi-2212 round wires

Abstract In recent years Bi 2 Sr 2 CaCu 2 O x (Bi-2212) received increasing attention due to its round wire multifilamentary architecture, a unique feature in high- T c superconductor. In fact, round wires are preferable for magnet designs, including solenoids for nuclear magnetic resonance (NMR) or research purpose and accelerator magnets. However, due to the narrow over-pressure heat treatment conditions necessary to obtain high J c and to the peculiar microstructure of Bi-2212 wires, a full understanding of the correlations between the different properties has not yet been developed. In this paper we investigate the effect of a vital part of Bi-2212 optimization, the maximum heat-treatment temperature T max in the range of 885 °C–896 °C, on the variations of J c , effective filament diameter d eff , anisotropy γ , INTER- and intra-grain irreversibility fields and pinning energies U 0 , all critical parameters in unravelling the complex mix of vortex pinning and connectivity that ultimately determines the critical current density. We found that d eff of the higher J c wires heat-treated at lower temperature is much smaller than for the lower J c wires. Moreover, a systematic increase of the irreversibility field and a decrease of the intrinsic Bi-2212 anisotropy underpins the higher J c . The analysis of the pinning energies reveals that there is little sample-to-sample variation in the INTER-grain pinning, whereas in all samples the intra-grain pinning has an enhancement below ∼40–45 K becoming more and more evident with increasing J c . These results suggest that the overall J c performance are not only related to the wire microstructure and connectivity, which obviously affect the INTER-grain properties, but they are also intimately related to the intrinsic and intra-grain properties such as γ and U 0 .

Physics↗
DOE OSTI2025

Irreversible thermodynamics of curved lipid membranes. II. Permeability and osmosis

We present a theory that combines the framework of irreversible thermodynamics with modified integral theorems to model arbitrarily curved and deforming membranes immersed in bulk fluid solutions. We study the coupling between the mechanics and permeability of a viscous and elastically bendable membrane, and a multicomponent bulk fluid solution. An equation for the internal entropy production for irreversibilities at the membrane is derived, determining the generalized thermodynamic forces and fluxes, from which we identify the deviatoric stress as a novel driving force for permeability. A complete set of equations of motion, constitutive laws, and boundary conditions to model the lipid membrane and bulk fluid system are provided.

Alkadri, Ahmad M↗
DOE OSTI2023

Quantifying Aging-Induced Irreversible Volume Change of Porous Electrodes

Automotive manufacturers are working to improve cell and pack design by increasing their performance, durability, and range. One of the critical factors to consider as the industry moves towards materials with higher energy density is the ability to consider the irreversible volume change characteristic of the accelerated SEI layer growth tied to the large volume change and particle cracking typically associated with active material strain. As the time from initial design to manufacture of electric vehicle is decreased in order to rapidly respond to consumer demands and widespread adoption of electric vehicles, the ability to link aging and volume change to end of life vehicle requirements using virtual tools is critical. In this study, apply a mechano-electrochemical model to determine the irreversible volume change at the electrode and cell level, allowing for virtual design iterations to predict the volume change at battery cell aged states.

Electrochemistry↗
NASA NTRS1972

Guinea pig ductus arteriosus. II - Irreversible closure after birth.

To investigate the mechanism underlying irreversibility of ductal closure after birth, studies were undertaken to determine the exact time course for the onset of irreversible closure of the guinea pig ductus arteriosus. Parallel studies of the reactivity of ductal smooth muscle to oxygen and studies of the postpartum cellular changes within the vessel were also carried out.

Fay, F. S.↗
NASA NTRS1995

Flux pinning characteristics and irreversibility line in high temperature superconductors

The flux pinning properties in high temperature superconductors are strongly influenced by thermally activated flux motion. The scaling relation of the pinning force density and the irreversibility line in various high temperature superconductors are numerically analyzed in terms of the flux creep model. The effect of two factors, i.e., the flux pinning strength and the dimensionality of the material, on these properties are investigated. It is speculated that the irreversibility line in Bi-2212 superconductors is one order of magnitude smaller than that in Y-123, even if the flux pinning strength in Bi-2212 is improved up to the level of Y-123. It is concluded that these two factors are equally important in determination of the flux pinning characteristics at high temperatures.

Matsushita, T.↗