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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 181 records · Page 10

Crystal plasticity modeling and analysis for the transition from intergranular to transgranular failure in nickel-based alloy Inconel 740H at elevated temperature

The precipitation-strengthened Nickel alloy Inconel® 740H® (IN740H) exhibits increased ductility at higher applied strain rates during quasi-static tensile tests at an elevated temperature of 760°C. The examination of fracture surfaces in this context reveals a noteworthy transition of underlying fracture mechanisms from transgranular to intergranular fracture as the applied strain rate decreases from 1×10 -3 / s to 0.83×10 -4 / s . To thoroughly understand the mechanical response of IN740H under these conditions, this study develops a crystal plasticity finite element (CPFE) model. Further, this model incorporates various deformation mechanisms including dislocation slips, climb, and grain boundary sliding, which are relevant to the test conditions. The model is calibrated using data from both tensile tests at different strain rates and creep tests across a broad stress range at 760°C, enabling the accurate determination of model parameters for each mechanism. Simulation results well captured the experimental observations of different failure modes. At higher strain rates, the model shows a dominance of dislocation slip leading to heterogeneous plastic deformation and formation of transgranular shear bands causing the failure, while at lower strain rates, an increased activity of grain boundary sliding causes grain boundaries crack leading to intergranular failure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High Elevation Radiation Array (HERA) detectors for airborne thunderstorm investigations

A high-energy atmospheric physics phenomenon, referred to as a terrestrial gamma ray flash (TGF), is associated with lightning and produces large bursts of energetic photon radiation. TGFs will be investigated using a suite of gamma-ray instruments designed and constructed to fly on ten United States Air Force (USAF) WC-130J Hurricane Hunter aircraft as part of an aircrew ionization study led by the Air Force Institute of Technology (AFIT) and the United States Air Force School of Aerospace Medicine (USAFSAM), in cooperation with the 53rd Weather Reconnaissance Squadron (WRS). Each instrument consists of one NaI and one plastic detector, a GPS timing device, and an instrument computer that performs data acquisition. High Elevation Radiation Array (HERA) detectors will be employed to maximize the chances of observing TGFs near their source and to gain a better understanding of their origin, mechanism, ubiquity, and to assess potential hazards posed to military and commercial aircrew and passengers. The HERA program, deployed on 10 separate Air Force aircraft over a multi-year campaign, will result in thousands of observational flight hours and be the largest concerted effort to date to observe TGFs in situ through aircraft observations. In this paper, we give an overview of the scientific goals of this campaign and how the HERA instruments have been designed to meet those goals. Here, we include a detailed description of the HERA instrument, along with mass model and signal processing simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Reprocessable polyhydroxyurethane networks reinforced with reactive polyhedral oligomeric silsesquioxanes (POSS) and exhibiting excellent elevated temperature creep resistance

The rapid development of covalent adaptable networks or vitrimers shows promise for addressing the long-standing recycling issues associated with conventional, permanently cross-linked thermosets. At the same time, it is important to demonstrate that properties of reprocessable polymer networks can be optimized to meet the ongoing demand for high-performance materials. We have fabricated reprocessable polyhydroxyurethane (PHU) network composites reinforced with reactive polyhedral oligomeric silsesquioxanes (POSS). With functionalized POSS serving as a fraction of the cross-linkers, the PHU–POSS network nanocomposites exhibit significantly enhanced storage modulus at the rubbery plateau region relative to the neat PHU network. With up to 10 wt% POSS loading, these network composites can undergo melt-state reprocessing at 140 °C with 100% property recovery associated with cross-link density. We also show that hydroxyurethane dynamic chemistry leads to excellent creep resistance at elevated temperature up to 90 °C and is unaffected by reactive incorporation of POSS. In conclusion, this study demonstrates the effectiveness of POSS as nanofillers for designing high-performance, organic-inorganic dynamic PHU networks with excellent reprocessability.

42 ENGINEERING↗

Response of PETN detonators to elevated temperatures

In the present study, commercially available detonators with pentaerythritol tetranitrate (PETN) were subjected to elevated temperatures. The detonators were thermally ignited over a range of heating rates to measure ignition delay time and assess detonator violence. The violence of the detonator was quantified by measuring the velocity of the detonator closure disc (or “flyer”). The maximum flyer velocity of a thermally ignited detonator was comparable in magnitude to that obtained by initiating a room temperature pristine detonator with an exploding bridge wire (under the same confinement); however, the high flyer velocity was not an indication of deflagration to detonation transition (DDT) in the thermally ignited detonator. The detonator responded more violently than a thermally ignited detonator when initiated at 95% of the ignition delay time. Furthermore, inoperability thresholds were also measured by varying the detonator temperature and the threshold was found to be sensitive at detonator temperatures below the melting point of PETN.

42 ENGINEERING↗

A low-latitude, high-elevation 10Be production-rate calibration from the Rwenzori Mountains, Uganda

Cosmogenic nuclide surface-exposure dating has become a key tool in geomorphology. Robust application of the technique relies on determination of local nuclide production rates using independently dated calibration sites. However, there are few existing calibration sites in certain regions, particularly in low-latitude, high-elevation regions where cosmogenic nuclide production is theoretically more sensitive to changes in Earth's magnetic field and atmospheric conditions. We present a new cosmogenic beryllium-10 (10Be) production-rate calibration from the equatorial Rwenzori Mountains in Uganda. The calibration is based on radiocarbon dating of basal lake sediments (∼21.3 kyr BP) from Lake Mahoma (2900 m asl) and measured 10Be concentrations from boulders on the crest of a moraine which dams the lake. Our results indicate a time-integrated 10Be production rate of 15.83 ± 0.81 at/g/yr at Lake Mahoma. We then use these calibration data and two public online calculators to calculate ages for moraines in a separate Rwenzori valley for which there exists a minimum-limiting radiocarbon age constraint (∼12 kyr BP) on surficial glacial sediments. This enables us to assess the performance of different parameters used to scale production rates spatially and temporally (e.g., scaling frameworks, geomagnetic field reconstructions, atmospheric models) for surface-exposure age calculation in the region. Our results highlight the sensitivity of low-latitude cosmogenic nuclide surface-exposure ages to discrete calculation parameters, such as scaling framework or reconstructions of Earth's magnetic field, and the utility of determining production rates at sites where limiting age data exists for other nearby landforms.

Anderson, N [Dartmouth College]↗

Detecting ecological signatures of long-term human activity across an elevational gradient in the Šumava Mountains, Central Europe

Central European mountains, including the Šumava Mountains located along the Czechia/Germany border, have a long and rich anthropogenic history. Yet, documenting prehistoric human impact in Central European mountain environments remains a challenge because of the need to disentangle climate and human-caused responses in terrestrial systems. Here, we present the first reconstructed water table depths (WTDs) from two sites, Pěkná and Blatenská slať, located in the Šumava Mountains. We compare these local WTD records with new and published pollen, non-pollen palynomorphs (NPPs), plant macrofossils, geochemistry and archeological records to investigate how changes in local hydrology and human activities impacted forest succession and fire activity throughout the Holocene across an elevational gradient. Using a generalized additive model, our results suggest that changes in forest succession and fire activity have been primarily caused by climate throughout the Holocene. However, humans have been utilizing mountain environments and their resources continuously since ∼4600 cal yr BP, thus playing a secondary role in modifying forest succession to increase resources beneficial to both humans and grazers. Over the last 1000 years, we provide evidence of directly observed human-caused modifications to the landscape. These results contribute to a growing body of literature illustrating human activities and landscape modifications in Central European mountains.

54 ENVIRONMENTAL SCIENCES↗

Host tree species mediate corticolous lichen responses to elevated CO 2 and O 3 after 10 years exposure in the Aspen-FACE system

Lichens contribute significantly to the biodiversity and functioning of many ecosystems. Although lichens are useful air pollution bioindicators and may respond in significant ways to global change, they are studied infrequently under field conditions in chamberless exposure systems. We surveyed corticolous lichens on paper birch ( Betula papyrifera ) and trembling aspen ( Populus tremuloides ) after 10 years exposure (1998–2007) to elevated CO 2 (eCO 2 ) and O 3 (eO 3 ) in the Aspen-FACE experiment in Rhinelander, WI, USA. This experiment utilized chamberless exposure rings, 30 m in diameter, with both host trees planted together in one quadrant. Four treatments were allocated among 12 rings: ambient, eCO 2 , eO 3 , and the combination of eCO 2 + eO 3 , each replicated once in each of three blocks. Over the course of the experiment, ambient CO 2 increased from 343 to 386 ppm while eCO 2 averaged ~530 ppm CO 2 . Ambient ozone concentrations averaged ~37 ppb and ~49 ppb for eO 3 although exposures decreased with time. Tree growth and leaf area index were negatively affected by eO 3 and stimulated by eCO 2 , resulting in higher photosynthetically active radiation (PAR) in eO 3 and lower in eCO 2 . We assessed lichen richness and cover on five host trees per ring on the north-facing side of the trunks, which were higher on birch than on aspen. Additionally, neither of the lichen measures on birch responded to the exposure treatments, while on aspen lichen cover was highest in eO 3 and lowest in eCO 2 . On aspen, lichen cover was positively related to PAR and dominated by Caloplaca . No relationship was found for birch, although Lecanora exhibited a negative relationship with PAR. These lichens were insensitive to direct effects of eCO 2 and eO 3 at the levels applied. Instead, they responded to indirect effects, such as host tree species, and changes in understory PAR, resulting from direct effects of eO 3 and eCO 2 on the host trees.

54 ENVIRONMENTAL SCIENCES↗

Long-term leaf C:N ratio change under elevated CO 2 and nitrogen deposition in China: Evidence from observations and process-based modeling

Climate change, elevating atmosphere CO 2 (eCO 2 ) and increased nitrogen deposition (iNDEP) are altering the biogeochemical interactions between plants, microbes and soils, which further modify plant leaf carbon-nitrogen (C:N) stoichiometry and their carbon assimilation capability. Many field experiments have observed large sensitivity of leaf C:N ratio to eCO 2 and iNDEP. However, the large-scale pattern of this sensitivity is still unclear, because eCO 2 and iNDEP drive leaf C:N ratio toward opposite directions, which are further compounded by the complex processes of nitrogen acquisition and plant-and-microbial nitrogen competition. Here, we attempt to map the leaf C:N ratio spatial variation in the past 5 decades in China with a combination of data-driven model and process-based modeling. These two approaches showed consistent results. Over different regions, we found that leaf C:N ratio had significant but uneven changes between 2 time periods (1960-1989 and 1990-2015): a 5% ± 8% increase for temperate grasslands in northern China, a 3% ± 6% increase for boreal grasslands in western China, and by contrast, a 7% ± 6% decrease for temperate forests in southern China, and a 3% ± 5% decrease for boreal forests in northeastern China. Additionally, the structural equation models indicated that the leaf C:N change was sensitive to ΔNDEP, ΔCO 2 and ΔMAT rather than ΔMAP and ecosystem types. In this work, process-based modeling suggested that iNDEP was the main source of soil mineral nitrogen change, dominating leaf C:N ratio change in most areas in China, while eCO 2 led to leaf C:N ratio increase in low iNDEP area. This study also indicates that the long-term leaf C:N ratio acclimation was dominated by climate constraint, especially temperature, but was constrained by soil N availability over decade scale.

54 ENVIRONMENTAL SCIENCES↗

Identifying snowfall elevation patterns by assimilating satellite-based snow depth retrievals

Precipitation in mountain regions is highly variable and poorly measured, posing important challenges to water resource management. Traditional methods to estimate precipitation include in-situ gauges, Doppler weather radars, satellite radars and radiometers, numerical modeling and reanalysis products. Each of these methods is unable to adequately capture complex orographic precipitation. Here, we propose a novel approach to characterize orographic snowfall over mountain regions. We use a particle batch smoother to leverage satellite information from Sentinel-1 derived snow depth retrievals and to correct various gridded precipitation products. This novel approach is tested using a simple snow model for an alpine basin located in Trentino Alto Adige, Italy. Here, we quantify the precipitation biases across the basin and found that the assimilation method (i) corrects for snowfall biases and uncertainties, (ii) leads to cumulative snowfall elevation patterns that are consistent across precipitation products, and (iii) results in overall improved basin-wide snow variables (snow depth and snow cover area) and basin streamflow estimates.

54 ENVIRONMENTAL SCIENCES↗

Amundsen Sea Embayment ice-sheet mass-loss predictions to 2050 calibrated using observations of velocity and elevation change

Mass loss from the Amundsen Sea Embayment of the West Antarctic Ice Sheet is a major contributor to global sea-level rise (SLR) and has been increasing over recent decades. Predictions of future SLR are increasingly modelled using ensembles of simulations within which model parameters and external forcings are varied within credible ranges. Accurately reporting the uncertainty associated with these predictions is crucial in enabling effective planning for, and construction of defences against, rising sea levels. Calibrating model simulations against current observations of ice-sheet behaviour enables the uncertainty to be reduced. Here we calibrate an ensemble of BISICLES ice-sheet model simulations of ice loss from the Amundsen Sea Embayment using remotely sensed observations of surface elevation and ice speed. Each calibration type is shown to be capable of reducing the 90% credibility bounds of predicted contributions to SLR by 34 and 43% respectively.

54 ENVIRONMENTAL SCIENCES↗

Small-angle Neutron Scattering (SANS) Characterization of Clay- and Carbonate-rich Shale at Elevated Pressures

Unconventional oil and gas from shale formations have emerged as some of the fastest growing energy resources in the United States, providing both cleaner energy to consumers and reducing the nation’s reliance on energy imports. To properly harness these important natural resources, the nanopore structure of associated shales must be fully understood, particularly under hydraulic fracturing conditions, where they are exposed to both overburden compressive and hydrostatic fluid pressures. The current study uses small-angle neutron scattering (SANS) to characterize pore structure, including porosity, pore accessibility, and pore size distribution, in the 1–100 nm regime at elevated pressures for mineralogically distinct clay- and carbonate-rich shales from the Permian Basin. Unlike typical porosity measurement techniques, SANS is uniquely capable of characterizing both open and closed porosity, allowing measurement of how pore accessibility changes with pressure and determination of the size range of accessible versus inaccessible pores. The porosity of the clay-rich shale was 7.7%, compared to 0.51% for the carbonate-rich shale. However, only 2.6% of the nanopores in the carbonate-rich shale were inaccessible to water at 8 kPSI (55.1 MPa) compared to 7.8% for the clay-rich shale. Furthermore, our analyses indicated that the closed pores fall within distinct size ranges, likely corresponding with the chemical nature of the pore host material. These results provide valuable insight into the effects of shale petrophysical properties on hydrocarbon extraction from unconventional reservoirs.

36 MATERIALS SCIENCE↗

Carbonate Minerals and Dissimilatory Iron-Reducing Organisms Trigger Synergistic Abiotic and Biotic Chain Reactions under Elevated CO 2 Concentration

Increasing CO 2 emission has resulted in pressing climate and environmental issues. While abiotic and biotic processes mediating the fate of CO 2 have been studied separately, their interactions and combined effects have been poorly understood. To explore this knowledge gap, an iron-reducing organism, Orenia metallireducens, was cultured under 18 conditions that systematically varied in headspace CO 2 concentrations, ferric oxide loading, and dolomite (CaMg(CO 3 ) 2 ) availability. The results showed that abiotic and biotic processes interactively mediate CO 2 acidification and sequestration through "chain reactions", with pH being the dominant variable. Specifically, dolomite alleviated CO 2 stress on microbial activity, possibly via pH control that transforms the inhibitory CO 2 to the more benign bicarbonate species. The microbial iron reduction further impacted pH via the competition between proton (H + ) consumption during iron reduction and H + generation from oxidization of the organic substrate. Under Fe(III)-rich conditions, microbial iron reduction increased pH, driving dissolved CO 2 to form bicarbonate. Spectroscopic and microscopic analyses showed enhanced formation of siderite (FeCO 3 ) under elevated CO 2 , supporting its incorporation into solids. In conclusion, the results of these CO 2 -microbe-mineral experiments provide insights into the synergistic abiotic and biotic processes that alleviate CO 2 acidification and favor its sequestration, which can be instructive for practical applications (e.g., acidification remediation, CO 2 sequestration, and modeling of carbon flux).

54 ENVIRONMENTAL SCIENCES↗

Vacancy-Driven Disorder and Elevated Dielectric Response in the Pyrochlore Pb 1.5 Nb 2 O 6.5

Lone pair-driven distortions are a hallmark of many technologically important lead (Pb)-based materials. Here, the role of Pb 2+ in polar perovskites is well understood and easily manipulated for applications in piezo- and ferroelectricity, but the control of ordered lone pair behavior in Pb-based pyrochlores is less clear. Crystallographically and geometrically more complex than the perovskite structure, the pyrochlore structure is prone to geometric frustration of local dipoles due to a triangular arrangement of cations on a diamond lattice. The role of vacancies on the O' site of the pyrochlore network has been implicated as an important driver for the expression and correlation of stereochemically active lone pairs in pyrochlores such as Pb 2 Ru 2 O 6.5 and Pb 2 Sn 2 O 6 . In this work we report on the structural, dielectric, and heat capacity behavior of the cation- and anion-deficient pyrochlore Pb 1.5 Nb 2 O 6.5 upon cooling. We find that local distortions are present at all temperatures that can be described by cristobalite-type cation ordering, and this ordering persists to longer length scales upon cooling. From a crystallographic perspective, the material remains disordered and does not undergo an observable phase transition. In combination with density function calculations, we propose that the stereochemical activity of the Pb 2+ lone pairs is driven by proximity to O' vacancies, and the crystallographic site disorder of the O' vacancies prohibits long range correlation of lone pair-driven distortions. This in turn prevents a low-temperature phase transition and results in an elevated dielectric permittivity across a broad temperature range.

36 MATERIALS SCIENCE↗

Cross-Linker Selection Controls Glass Transition Elevation or Reduction in Dynamic Covalently Bonded Polymer Networks

Introducing cross-links is a powerful approach to improve polymeric material performance relevant to controlling viscoelasticity, thermal and creep resistance, degradability, and efficient membrane separations. The chemically specific glass transition temperature T g is of fundamental importance in determining the time scales of key dynamical processes and physical state of the material in such applications. Here, we study experimentally how the introduction of relatively large cross-linking molecules in slowly exchanging dynamic bond-forming polymers (vitrimers) impacts vitrification for diverse polymer chemistries and a wide range of cross-link fractions. We find T g can increase, decrease, or even remain essentially unchanged, in qualitative contrast to the generic elevation of T g in traditional permanent polymer networks. We formulate an effective terpolymer network model to understand this rich behavior, which emerges as a consequence of a competition between pure cross-linking and generalized plasticization effects. The latter is associated with the tunable cross-linker size and intrinsic dynamic mobility that can offset slowing down due to traditional permanent cross-linking constraints. Here, a new strategy for functional polymer network design is suggested based on adjusting the relative importance of the two competing physical effects, which potentially can significantly enhance energy savings in applications while retaining other intrinsic properties germane to advanced materials performance.

Copolymers↗

In Situ TEM for Structural and Chemical Evolutions of Bimetallic Pt–Ni Nanoparticles at Elevated Temperatures: Implications for Heterogeneous Catalysis

Platinum-based bimetallic nanoparticles (NPs) are of great interest for their applications in catalysis. The catalytic properties of these NPs are significantly dependent on their morphology, structure, and composition, whose response to thermal input remains challenging to be fully understood. This study investigates the thermally induced structural and chemical evolutions of single-crystalline Pt-Ni NPs using in situ transmission electron microscopy. The observed morphological evolution includes the facet development from a truncated octahedron to a spherical-like isotropic shape, followed by the formation of pancake-like ellipsoid shape at high temperatures due to surface atom migration and interfacial wetting enabled by the particle-substrate interaction. Comparative investigations by in situ scanning transmission electron microscopy with energy dispersive X-ray spectroscopy mapping elucidate that the solid-solution compositional configuration can be retained over a large temperature range, while core-shell NPs undergo irreversible solid-solution transitions through chemical homogenization at elevated temperatures. Finally, these findings elucidate the effect of thermal input on structural evolution and compositional redistribution of Pt-Ni bimetallic NPs, offering valuable insights into the design of heterogeneous catalysts.

25 ENERGY STORAGE↗

The AtmoSOFAR Channel: First Direct Observations of an Elevated Acoustic Duct

The Sound Fixing and Ranging (SOFAR) channel in the ocean allows for low frequency sound to travel thousands of kilometers, making it particularly useful for detecting underwater nuclear explosions. Suggestions that an elevated SOFAR-like channel should exist in the stratosphere date back over half a century and imply that sources within this region can be reliably sensed at vast distances. However, this theory has not been supported with evidence of direct observations from sound within this channel. Here we show that an infrasound sensor on a solar hot air balloon recorded the first infrasound detection of a ground truth airborne source while within this acoustic channel, which we refer to as the AtmoSOFAR channel. Our results support the existence of the AtmoSOFAR channel, demonstrate that acoustic signals can be recorded within it, and provide insight into the characteristics of recorded signals. Results also show a lack of detections on ground-based stations, highlighting the advantages of using balloon-borne infrasound sensors to detect impulsive sources at altitude.

54 ENVIRONMENTAL SCIENCES↗

Peatland Plant Community Changes in Annual Production and Composition Through 8 Years of Warming Manipulations Under Ambient and Elevated CO 2 Atmospheres

The Spruce and Peatland Responses Under Changing Environments (SPRUCE) experiment has operated five whole-ecosystem warming manipulations (+0, +2.25, +4.5, +6.75, and +9°C) with paired ambient and elevated CO 2 atmospheres (eCO 2 , +500 ppm) for 8 full calendar years (since August 2015). We tracked shrub-layer vegetation responses to the treatments using annual destructive plot sampling. Tree (Picea and Larix) responses were assessed annually using nondestructive dimensional analyses and allometric conversions. Shrub community changes were assessed for key ericaceous shrubs (Rhododendron, Chamaedaphne, and Kalmia), two Vaccinium species (V. angustifolium, V. oxycoccos), graminoid species (mostly Eriophorum), and one common forb (Maianthemum trifolium), plus minor understory species. We tracked annual aboveground net primary production (ANPP) for vascular plant species in gC m -2 y -1 and overall stand contribution in dry mass. We observed a linear increase in shrub-layer aboveground biomass accumulation with warming over time due primarily to an increase in ericaceous shrub abundance. Cumulative biomass increases across the shrub community showed overall positive responses to eCO 2 after 8 years. Community composition also changed with warming, with increases in woody shrub density, and the reduction or loss of forbs. The tree community showed minimal initial responses to warming early in the treatments, but since 2020, has shown significant increases in ANPP and individual tree growth with warming. The main driver of change in the vascular plant community was temperature, with less pronounced effects of eCO 2 evident. These results indicate an overall increase in ANPP with warming from both the tree and shrub layers of peatland vegetation.

54 ENVIRONMENTAL SCIENCES↗

Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism

Abstract Density functional theory (DFT) has been extensively used to model the properties of water. Albeit maintaining a good balance between accuracy and efficiency, no density functional has so far achieved the degree of accuracy necessary to correctly predict the properties of water across the entire phase diagram. Here, we present density-corrected SCAN (DC-SCAN) calculations for water which, minimizing density-driven errors, elevate the accuracy of the SCAN functional to that of “gold standard” coupled-cluster theory. Building upon the accuracy of DC-SCAN within a many-body formalism, we introduce a data-driven many-body potential energy function, MB-SCAN(DC), that quantitatively reproduces coupled cluster reference values for interaction, binding, and individual many-body energies of water clusters. Importantly, molecular dynamics simulations carried out with MB-SCAN(DC) also reproduce the properties of liquid water, which thus demonstrates that MB-SCAN(DC) is effectively the first DFT-based model that correctly describes water from the gas to the liquid phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗