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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

TMTpro Complementary Ion Quantification Increases Plexing and Sensitivity for Accurate Multiplexed Proteomics at the MS2 Level

Multiplexed proteomics is a powerful tool to assay cell states in health and disease, but accurate quantification of relative protein changes is impaired by interference from co-isolated peptides. Most widely, this issue is alleviated by MS3-based quantification, reducing sensitivity and requiring specialized instrumentation. An alternative approach is quantification by complementary ions, which allows accurate and precise multiplexed quantification at the MS2 level and is compatible with the most widely distributed instruments. However, complementary ions of the popular TMT tag form inefficiently and plexing is limited to five channels. In this work, we evaluate and optimize complementary ion quantification for the recently released TMTPro tag, which increases plexing capacity to 8 channels (TMTProC). We find that the beneficial fragmentation properties increase quantification signal five-fold compared to TMT. This increased sensitivity results in ~50% more proteins quantified compared to TMTPro-MS3 and even slightly outperforms TMTPro-MS2. Furthermore, TMTProC quantification is more accurate than TMTPro-MS2 and even superior to TMTPro-MS3. To demonstrate the power of TMTProC, we analyzed a human and yeast interference sample and were able to quantify 13,290 proteins in 24 fractions. Thus, TMTProC advances multiplexed proteomics data quality and widens access to accurate multiplexed proteomics beyond laboratories with MS3-capable instrumentation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Increased Polymer Diffusivity in Thin-Film Confinement

In this work, the behavior of polymer melts under planar confinement was investigated using molecular dynamics simulations. Polymers with a range of lengths, from unentangled to highly entangled (N = 25-400), were confined between two discrete-bead parallel walls to create thin films with thicknesses (h = 3.5-40σ, where σ is the unit length) ranging from much larger to much smaller than the polymer size. These simulations were used to measure polymer-chain conformations, entanglement densities, and center-of-mass diffusion, and the results were compared with previous simulations of polymer melts under cylindrical confinement. Changes to the entanglement density and radius of gyration in thin films follow the same behavior as in cylindrical confinement: decreased entanglements per chain, decreased R g perpendicular to the confining wall, and increased R g parallel to the confining wall, though the deviations from bulklike conformations are smaller. Despite similarities in conformation and entanglement behavior between thin-film and cylindrical confinements, the diffusion behavior differs. Under planar confinement, the diffusion coefficient increases monotonically up to 6 times the bulk diffusivity with decreasing film thickness, while it behaves nonmonotonically in cylinders. This is due to the increased degrees of freedom afforded to the polymer chains in a thin film compared to those in a cylinder, allowing chains to diffuse around one another rather than through, as found in cylindrical confinement. Normalized diffusion coefficients, D norm , can be well described by a master curve with an exponential dependence on confinement after scaling D norm by a thickness dependent term.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cu Doping Increases Capacity Retention in LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) by Altering the Potential of the Ni-Based Redox Couple and Inhibiting Particle Pulverization

To discern the influence of Cu 2+ as a dopant on both the structural and electrochemical characteristics of LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622), Cu 2+ (aq) was added to the coprecipitation synthesis from the constituent ions. At 5 mol % Cu 2+ , a single-phase Cu-NMC product results, evidenced by an increase in d-spacing along the [003] and [104] directions and a slight increase in the crystal volume of the R–3m hexagonal (rock-salt superstructure) lattice. XRD data and high-resolution TEM imaging support Cu 2+ doping primarily on the transition metal 3b Wyckoff sites. Here, galvanostatic cycling of Cu-NMC shows a reversible gravimetric capacity of 102 mAh/g compared to 136 mAh/g for undoped NMC. Despite the lower capacity, the discharge capacity retention of Cu-NMC is 89% after 100 cycles compared to only 70% for NMC. XPS analysis reveals that this lower capacity is due to an increase in the concentration of Ni 3+ ions at the surface, while XRD data collected at the top and bottom of charge show a smaller decrease in crystalline domain size for Cu-NMC (40.5% decrease) compared to NMC (74.7% decrease), translating to pulverization of the secondary particles.

25 ENERGY STORAGE↗
DOE OSTI2019

Efficient Thick-Film Polymer Solar Cells with Enhanced Fill Factors via Increased Fullerene Loading

Developing effective methods to make efficient bulk-heterojunction polymer solar cells at roll-to-roll relevant active layer thickness is of significant importance. We investigate the effect of fullerene content in polymer:fullerene blends on the fill factor (FF) and on the performance of thick-film solar cells for four different donor polymers PTB7-Th, PDPP-TPT, BDT-FBT-2T, and poly[5,5'-bis(2-butyloctyl)-(2,2'-bithiophene)-4,4'-dicarboxylate-alt-5,5'-2,2'-bithiophene] (PDCBT). At a few hundreds of nanometers thickness, increased FFs are observed in all cases and improved overall device performances are obtained except for PDCBT upon increasing fullerene content in blend films. This fullerene content effect was studied in more detail by electrical and morphological characterization. The results suggest enhanced electron mobility and suppressed bimolecular recombination upon increasing fullerene content in thick polymer:fullerene blend films, which are the result of larger fullerene aggregates and improved interconnectivity of the fullerene phases that provide continuous percolating pathways for electron transport in thick films. These findings are important because an effective and straightforward method that enables fabricating efficient thick-film polymer solar cells is desirable for large-scale manufacturing via roll-to-roll processing and for multijunction devices.

14 SOLAR ENERGY↗
DOE OSTI2021

Pretreatment with Sodium Methyl Mercaptide Increases Carbohydrate Yield during Kraft Pulping

Kraft pulping is the predominant technology in the pulp and paper industry for removing lignin from wood carbohydrates to produce paper, board, packaging, tissue, and specialty cellulose. However, the kraft process is energy intensive and expensive, and its yield is limited by the degradation of carbohydrates. Pretreatment can increase carbohydrate yield by limiting degradation via primary peeling of reducing end groups. However, protection of galactoglucomannan (GGM), the primary hemicellulose component of softwood, is minimal when conventional pretreatments are used. Here, we investigated the effectiveness of sodium methyl mercaptide pretreatment on southern pine wood chips under a range of experimental conditions. We found that pretreatment of biomass with 4.38% sodium methyl mercaptide at pH 12 and 105 °C for 60 min provided small but significant increases in xylan and cellulose yields relative to control conditions, but preservation of GGM was minimal. Furthermore, to provide insight into molecular-scale details of primary peeling, pretreatment, and alkaline hydrolysis, we performed classical molecular dynamics (MD) simulations under selected process conditions and quantum mechanical (QM) calculations of selected reactions. MD simulations showed that C1 of the GGM reducing end is more readily accessible by HO – and CH 3 S – ions than in cellulose. The free energy barrier for peeling calculated with QM is lower for GGM than for cellulose, indicating increased susceptibility to peeling. In addition, we found that GGM may be more susceptible to internal chain cleavage than cellulose. Thus, even though reducing end groups may be protected initially through pretreatment, new unprotected reducing end groups may be generated through alkaline hydrolysis. Taken together, these findings show the promise of methyl mercaptide as a pretreatment technology for cellulose retention and also provide molecular insight for improving its effectiveness toward GGM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

System-wide emissions implications of increased wind power penetration.

This paper discusses the environmental effects of incorporating wind energy into the electric power system. We present a detailed emissions analysis based on comprehensive modeling of power system operations with unit commitment and economic dispatch for different wind penetration levels. First, by minimizing cost, the unit commitment model decides which thermal power plants will be utilized based on a wind power forecast, and then, the economic dispatch model dictates the level of production for each unit as a function of the realized wind power generation. Finally, knowing the power production from each power plant, the emissions are calculated. The emissions model incorporates the effects of both cycling and start-ups of thermal power plants in analyzing emissions from an electric power system with increasing levels of wind power. Our results for the power system in the state of Illinois show significant emissions effects from increased cycling and particularly start-ups of thermal power plants. However, we conclude that as the wind power penetration increases, pollutant emissions decrease overall due to the replacement of fossil fuels.

17 WIND ENERGY↗
DOE OSTI2011

Tunneling Currents That Increase with Molecular Elongation

We present a model molecular system with an unintuitive transport–extension behavior in which the tunneling current increases with forced molecular elongation. The molecule consists of two complementary aromatic units (1,4-anthracenedione and 1,4-anthracenediol) hinged via two ether chains and attached to gold electrodes through thiol-terminated alkenes. The transport properties of the molecule as it is mechanically elongated in a single-molecule pulling setting are computationally investigated using a combination of equilibrium molecular dynamics simulations of the pulling with gDFTB computations of the transport properties in the Landauer limit. Contrary to the usual exponential decay of tunneling currents with increasing molecular length, the simulations indicate that upon elongation electronic transport along the molecule increases 10-fold. The structural origin of this inverted trend in the transport is elucidated via a local current analysis that reveals the dual role played by H-bonds in both stabilizing π-stacking for selected extensions and introducing additional electronic couplings between the complementary aromatic rings that also enhance tunneling currents across the molecule. The simulations illustrate an inverted electromechanical single-molecule switch that is based on a novel class of transport–extension behavior that can be achieved via mechanical manipulation and highlight the remarkable sensitivity of conductance measurements to the molecular conformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Warming Effects of Spring Rainfall Increase Methane Emissions From Thawing Permafrost

Methane emissions regulate the near-term global warming potential of permafrost thaw, particularly where loss of ice-rich permafrost converts forest and tundra into wetlands. Northern latitudes are expected to get warmer and wetter, and while there is consensus that warming will increase thaw and methane emissions, effects of increased precipitation are uncertain. At a thawing wetland complex in Interior Alaska, we found that interactions between rain and deep soil temperatures controlled methane emissions. In rainy years, recharge from the watershed rapidly altered wetland soil temperatures, warming the top ~80cm of soil in spring and summer and cooling it in autumn. When soils were warmed by spring rainfall, methane emissions increased by ~30%. The warm, deep soils early in the growing season likely supported both microbial and plant processes that enhanced emissions. Finally, our study identifies an important and unconsidered role of rain in governing the radiative forcing of thawing permafrost landscapes.

58 GEOSCIENCES↗
DOE OSTI2019

Distinct Impacts of Increased Aerosols on Cloud Droplet Number Concentration of Stratus/Stratocumulus and Cumulus

In situ aircraft measurements obtained during the RACORO field campaign are analyzed to study the aerosol effects on different cloud regimes. Here, the results show that with increasing cloud condensation nuclei (CCN), cloud droplet number concentration ( N d ) significantly increases in stratocumulus (Sc) while remains almost unchanged in cumulus (Cu). By using a new approach to strictly constrain the dynamics in Cu, we found that neither simultaneously changing cloud dynamics nor dilution of cloud water induced by entrainment-mixing can explain the observed insensitivity of N d . The different degree of reduction in cloud supersaturation caused by increasing aerosols might be responsible for the observed different aerosol indirect effect between Sc and Cu.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Changes in Physical Properties of Everglades Peat Soils Induced by Increased Salinity at the Laboratory Scale: Implications for Changes in Biogenic Gas Dynamics

Abstract Saltwater intrusion due to sea level rise is a major concern for the Florida Everglades because it may induce shifts in ecosystem productivity and physical soil properties. However, the effects of saline water intrusion into the current carbon gas dynamics of the Everglades (particularly in terms of biogenic gas production and emissions, i.e., CH 4 and CO 2 ) are still uncertain. In this work, we present a laboratory‐based study to simulate how sea level rise may alter the physical properties (i.e., hydraulic conductivity) of peat soils from the Everglades and consequently affect the accumulation and release of biogenic gases within the peat matrix. Peat monoliths collected from the Everglades were subjected to progressive increases in salinity from a NaCl solution, and changes to the biogenic gas dynamics regime were simultaneously monitored using a combination of time‐lapse ground‐penetrating radar measurements, manometers, time‐lapse photography, and gas traps. Physical changes to the peat matrix at each salinity interval were assessed using constant head permeameter tests. Consistent with previous research, results show that a progressive increase in salinity (from fresh to saltwater) results in (1) a progressive increase in hydraulic conductivity and (2) a progressive decrease in gas content within the peat matrix (i.e., production) and gas releases. This work has implications for better understanding the potential effects of saltwater intrusion into freshwater peatland systems in the Everglades, particularly in terms of carbon gas dynamics.

Sirianni, Matthew J.↗
DOE OSTI2021

Snow Reconciles Observed and Simulated Phase Partitioning and Increases Cloud Feedback

The surprising increase of Earth's climate sensitivity in the most recent coupled model intercomparison project (CMIP) models has been largely attributed to extratropical cloud feedback, which is thought to be driven by greater supercooled water in present-day cloud phase partitioning (CPP). Here, we report that accounting for precipitation in the Goddard Institute for Space Studies ModelE3 radiation scheme, neglected in more than 60% of CMIP6 and 90% of CMIP5 models, systematically changes its apparent CPP and substantially increases its cloud feedback, consistent with results using CMIP models. Including precipitation in the comparison with cloud–aerosol lidar and infrared pathfinder satellite observations (CALIPSO) measurements and in model radiation schemes is essential to faithfully constrain cloud amount and phase partitioning, and simulate cloud feedbacks. Our findings suggest that making radiation schemes precipitation-aware (missing in most CMIP6 models) should strengthen their positive cloud feedback and further increase their already high mean climate sensitivity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Warming and Increased Respiration Have Transformed an Alpine Steppe Ecosystem on the Tibetan Plateau From a Carbon Dioxide Sink Into a Source

Cold region ecosystems store vast amounts of soil organic carbon (C), which upon warming and decomposition can affect the C balance and potentially change these ecosystems from C sinks to carbon dioxide (CO 2 ) sources. We quantified the decadal year-round CO 2 flux from an alpine steppe-ecosystem on the Tibetan Plateau using eddy covariance and automatic chamber approaches during a period of significant warming (0.13°C per 10 years; and 0.18°C in the non-growing season alone: 1st October to next 30th April). The results showed that ongoing climate change, mainly warming within the topsoil layers, is the main reason for the site’s change from a sink for to a source of CO 2 in the atmosphere. Non-growing-season ecosystem respiration accounted for 51% of the annual ecosystem respiration and has increased significantly. The growing seasons (1st May to 30th September) were consistent CO 2 sink periods without significant changes over the study period. Observations revealed high-emission events from the end of the non-growing season to early in the growing season (1st March to fifteenth May), which significantly (p < 0.01) increased at a rate of 22.6 g C m -2 decade -1 , ranging from 14.6 ± 10.7 g C m -2 yr -1 in 2012 to 35.3 ± 12.1 g C m -2 yr -1 in 2017. Further, structural equation modeling suggested that active layer warming was the key factor in explaining changes in ecosystem respiration, leading to significant changes in net ecosystem exchange over the period 2011–2020 and indicated that these changes have already transformed the ecosystem from a CO 2 sink into a source. These results can be used to improve our understanding of the sensitivity of ecosystem respiration to increased warming during the non-growing period.

58 GEOSCIENCES↗
DOE OSTI2021

Radiocarbon Analyses Quantify Peat Carbon Losses With Increasing Temperature in a Whole Ecosystem Warming Experiment

Abstract Climate warming is expected to accelerate peatland degradation and release rates of carbon dioxide (CO 2 ) and methane (CH 4 ). Spruce and Peatlands Responses Under Changing Environments is an ecosystem‐scale climate manipulation experiment, designed to examine peatland ecosystem response to climate forcings. We examined whether heating up to +9 °C to 3 m‐deep in a peat bog over a 7‐year period led to higher C turnover and CO 2 and CH 4 emissions, by measuring 14 C of solid peat, dissolved organic carbon (DOC), CH 4 , and dissolved CO 2 (DIC). DOC, a major substrate for heterotrophic respiration, increased significantly with warming. There was no 7‐year trend in the DI 14 C of the ambient plots which remained similar to their DO 14 C. At +6.75 °C and +9 °C, the 14 C of DIC, a product of microbial respiration, initially resembled ambient plots but became more depleted over 7 years of warming. We attributed the shifts in DI 14 C to the increasing importance of solid phase peat as a substrate for microbial respiration and quantified this shift via the radiocarbon mass balance. The mass‐balance model revealed increases in peat‐supported respiration of the catotelm depths in heated plots over time and relative to ambient enclosures, from a baseline of 20%–25% in ambient enclosures, to 35%–40% in the heated plots. We find that warming stimulates microorganisms to respire ancient peat C, deposited under prior climate (cooler) conditions. This apparent destabilization of the large peat C reservoir has implications for peatland‐climate feedbacks especially if the balance of the peatland is tipped from net C sink to C source.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Global Dust Cycle and Direct Radiative Effect in E3SM Version 1: Impact of Increasing Model Resolution

Quantification of dust aerosols in Earth System Models (ESMs) has important implications for water cycle and biogeochemistry studies. This study examines the global life cycle and direct radiative effects (DREs) of dust in the U.S. Department of Energy's Energy Exascale Earth System Model version 1 (E3SMv1), and the impact of increasing model resolution both horizontally and vertically. The default 1° E3SMv1 captures the spatial and temporal variability in the observed dust aerosol optical depth (DAOD) reasonably well, but overpredicts dust absorption in the shortwave (SW). Simulations underestimate the dust vertical and long-range transport, compared with the satellite dust extinction profiles. After updating dust refractive indices and correcting for a bias in partitioning size-segregated emissions, both SW cooling and longwave (LW) warming of dust simulated by E3SMv1 are increased and agree better with other recent studies. The estimated net dust DRE of –0.42 Wm –2 represents a stronger cooling effect than the observationally based estimate –0.2 Wm –2 (–0.48 to +0.2), due to a smaller LW warming. Constrained by a global mean DAOD, model sensitivity studies of increasing horizontal and vertical resolution show strong influences on the simulated global dust burden and lifetime primarily through the change of dust dry deposition rate; there are also remarkable differences in simulated spatial distributions of DAOD, DRE, and deposition fluxes. Thus, constraining the global DAOD is insufficient for accurate representation of dust climate effects, especially in transitioning to higher- or variable-resolution ESMs. Better observational constraints of dust vertical profiles, dry deposition, size, and LW properties are needed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Increasing Hurricane Intensification Rate Near the US Atlantic Coast

Hurricanes often cause severe damage and loss of life, and storms that intensify close to the coast pose a particularly serious threat. While changes in hurricane intensification and environment have been examined at basin scales previously, near-coastal changes have not been adequately explored. In this study, we address this using a suite of observations and climate model simulations. Over the 40-year period of 1979–2018, the mean 24-hr hurricane intensification rate increased by ~1.2 kt 6-hr –1 near the US Atlantic coast. However, a significant increase in intensification did not occur near the Gulf coast over the same period. The enhanced hurricane intensification along the Atlantic coast is consistent with an increasingly favorable dynamic and thermodynamic environment there, which is well simulated by climate models over the historical period. Further, multi-model projections suggest a continued enhancement of the storm environment and hurricane intensification near the Atlantic coast in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Global Increase in Nearshore Tropical Cyclone Intensification

Abstract Tropical Cyclones (TCs) inflict substantial coastal damages, making it pertinent to understand changing storm characteristics in the important nearshore region. Past work examined several aspects of TCs relevant for impacts in coastal regions. However, few studies explored nearshore storm intensification and its response to climate change at the global scale. Here, we address this using a suite of observations and numerical model simulations. Over the historical period 1979–2020, observations reveal a global mean TC intensification rate increase of about 3 kt per 24‐hr in regions close to the coast. Analysis of the observed large‐scale environment shows that stronger decreases in vertical wind shear and larger increases in relative humidity relative to the open oceans are responsible. Further, high‐resolution climate model simulations suggest that nearshore TC intensification will continue to rise under global warming. Idealized numerical experiments with an intermediate complexity model reveal that decreasing shear near coastlines, driven by amplified warming in the upper troposphere and changes in heating patterns, is the major pathway for these projected increases in nearshore TC intensification.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Observed Increase in Tropical Cyclone‐Induced Sea Surface Cooling Near the U.S. Southeast Coast

Abstract Tropical cyclones (TCs) induce substantial upper‐ocean mixing and upwelling, leading to sea surface cooling. In this study, we explore changes in TC‐induced cold wakes along the United States (U.S.) Southeast and Gulf Coasts during 1982–2020. Our study shows a significant increase in TC‐induced sea surface temperature (SST) cooling of about 0.20°C near the U.S. Southeast Coast over this period. However, for the U.S. Gulf Coast, trends in TC‐induced SST cooling are insignificant. Analysis of the large‐scale oceanic environments indicate that the increasing TC‐induced cold wakes near the Southeast coast have been predominantly caused by the cooling of subsurface waters in that region. This upper‐ocean change is attributed to the enhancement of surface pressure gradient across land‐sea boundary and the associated increase in alongshore winds over there. Further analysis with climate models reveals the important role of anthropogenic forcings in driving these changes in the atmospheric circulation response along the U.S. Southeast Coast.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Recent Increasing Trend in October–November Caribbean Tropical Cyclone Activity

October–November Caribbean tropical cyclone (TC) activity has significant impacts for both the Caribbean islands and Central America (e.g., Hurricanes Eta and Iota in 2020). October–November Caribbean TCs can also track northward and make continental United States landfall, resulting in substantial damage and fatalities (e.g., Hurricane Michael in 2018 and Delta and Zeta in 2020). We find significant increasing trends in October–November Caribbean hurricanes, rapidly intensifying hurricanes (winds increasing by ≥15 m s −1 within 24 hr), and landfalling hurricanes during the global satellite era (1979–present). Since 1979, we also observe significant warming trends in the western Atlantic Warm Pool and anomalous relative cooling in the eastern Pacific during October–November. These trends yield a more conducive dynamic and thermodynamic environment for Caribbean TCs, including reductions in Caribbean vertical wind shear, increases in Caribbean potential intensity, and a more TC-conducive African easterly jet.

Klotzbach, P. J. [Colorado State Univ., Fort Colli↗