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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

Nanometer-scale structure differences in the myofilament lattice spacing of two cockroach leg muscles correspond to their different functions

ABSTRACT Muscle is highly organized across multiple length scales. Consequently, small changes in the arrangement of myofilaments can influence macroscopic mechanical function. Two leg muscles of a cockroach have identical innervation, mass, twitch responses, length–tension curves and force–velocity relationships. However, during running, one muscle is dissipative (a ‘brake’), while the other dissipates and produces significant positive mechanical work (bifunctional). Using time-resolved X-ray diffraction in intact, contracting muscle, we simultaneously measured the myofilament lattice spacing, packing structure and macroscopic force production of these muscles to test whether structural differences in the myofilament lattice might correspond to the muscles' different mechanical functions. While the packing patterns are the same, one muscle has 1 nm smaller lattice spacing at rest. Under isometric stimulation, the difference in lattice spacing disappeared, consistent with the two muscles' identical steady-state behavior. During periodic contractions, one muscle undergoes a 1 nm greater change in lattice spacing, which correlates with force. This is the first identified structural feature in the myofilament lattice of these two muscles that shares their whole-muscle dynamic differences and quasi-static similarities.

Tune, Travis Carver↗

Beyond the Global Brain Differences: Intraindividual Variability Differences in 1q21.1 Distal and 15q11.2 BP1-BP2 Deletion Carriers

Carriers of the 1q21.1 distal and 15q11.2 BP1-BP2 copy number variants exhibit regional and global brain differences compared with noncarriers. However, interpreting regional differences is challenging if a global difference drives the regional brain differences. Intraindividual variability measures can be used to test for regional differences beyond global differences in brain structure. Magnetic resonance imaging data were used to obtain regional brain values for 1q21.1 distal deletion (n = 30) and duplication (n = 27) and 15q11.2 BP1-BP2 deletion (n = 170) and duplication (n = 243) carriers and matched noncarriers (n = 2350). Regional intra-deviation scores, i.e., the standardized difference between an individual’s regional difference and global difference, were used to test for regional differences that diverge from the global difference. For the 1q21.1 distal deletion carriers, cortical surface area for regions in the medial visual cortex, posterior cingulate, and temporal pole differed less and regions in the prefrontal and superior temporal cortex differed more than the global difference in cortical surface area. For the 15q11.2 BP1-BP2 deletion carriers, cortical thickness in regions in the medial visual cortex, auditory cortex, and temporal pole differed less and the prefrontal and somatosensory cortex differed more than the global difference in cortical thickness. We find evidence for regional effects beyond differences in global brain measures in 1q21.1 distal and 15q11.2 BP1-BP2 copy number variants. The results provide new insight into brain profiling of the 1q21.1 distal and 15q11.2 BP1-BP2 copy number variants, with the potential to increase understanding of the mechanisms involved in altered neurodevelopment.

15q11.2 BP1-BP2↗

Cross-Market Price Difference Forecast Using Deep Learning for Electricity Markets

Price forecasting is in the center of decision making in electricity markets. Many researches have been done in forecasting energy prices while little research has been reported on forecasting price difference between day-ahead and realtime markets due to its high volatility, which however plays a critical role in virtual trading. To this end, this paper takes the first attempt to employ novel deep learning architecture with Bidirectional Long-Short Term Memory (LSTM) units to forecast the price difference between day-ahead and real-time markets for the same node. The raw data is collected from PJM market, processed and fed into the proposed network. The Root Mean Squared Error (RMSE) and customized performance metric are used to evaluate the performance of the proposed method. Case studies show that it outperforms the traditional statistical models like ARIMA, and machine learning models like XGBoost and SVR methods in both RMSE and the capability of forecasting the sign of price difference. Additionally, to cross-market price difference forecast, the proposed approach has the potential to be applied to solve other forecasting problems such as price spread forecast in DA market for Financial Transmission Right (FTR) trading purpose.

DA/RT price difference↗

Enhancing and Extinguishing the Different Emission Features of 2D (EA(1-)(x)FA(x))(4)Pb3Br10 Perovskite Films

2D hybrid perovskites are attractive for optoelectronic devices. In thin films, the color of optical emission and the texture of crystalline domains are often difficult to control. Here, a method for extinguishing or enhancing different emission features is demonstrated for the family of 2D Ruddlesden-Popper perovskites (EA(1-)(x)FA(x))(4)Pb3Br10 (EA = ethylammonium, FA = formamidinium). When grown from aqueous hydrobromic acid, crystals of (EA(1-)(x)FA(x))(4)Pb3Br10 retain all the emission features of their parent compound, (EA)(4)Pb3Br10. Surprisingly, when grown from dimethylformamide (DMF), an emission feature, likely self-trapped exciton (STE), near 2.7 eV is missing. Extinction of this feature is correlated with DMF being incorporated between the 2D Pb-Br sheets, forming (EA(1-)(x)FA(x))(4)Pb3Br10 center dot(DMF)(y). Without FA, films grown from DMF form (EA)(4)Pb3Br10, retain little solvent, and have strong emission near 2.7 eV. Slowing the kinetics of film growth strengthens a different emission feature, likely a different type of STE, which is much broader and present in all compositions. Films of (EA(1-)(x)FA(x))(4)Pb3Br10 center dot(DMF)(y) have large, micron-sized domains and homogeneous orientation of the semiconducting sheets, resulting in low electronic disorder near the absorption edge. The ability to selectively strengthen or extinguish different emission features in films of (EA(1-)(x)FA(x))(4)Pb3Br10 center dot(DMF)(y) reveals a pathway to tune the emission color in these compounds.

2D halide perovskites↗

Characterization of ferredoxins involved in electron transfer pathways for nitrogen fixation implicates differences in electronic structure in tuning 2[4Fe 4S] Fd activity

Ferredoxins (Fds) are small proteins which shuttle electrons to pathways like biological nitrogen fixation. Physical properties tune the reactivity of Fds with different pathways, but knowledge on how these properties can be manipulated to engineer new electron transfer pathways is lacking. Recently, we showed that an evolved strain of Rhodopseudomonas palustris uses a new electron transfer pathway for nitrogen fixation. This pathway involves a variant of the primary Fd of nitrogen fixation in R. palustris, Fer1, in which threonine at position 11 is substituted for isoleucine (Fer1 T11I ). To understand why this substitution in Fer1 enables more efficient electron transfer, we used in vivo and in vitro methods to characterize Fer1 and Fer1 T11I . Electrochemical characterization revealed both Fer1 and Fer1 T11I have similar redox transitions (–480 mV and – 550 mV), indicating the reduction potential was unaffected despite the proximity of T11 to an iron-sulfur (Fe—S) cluster of Fer1. Additionally, disruption of hydrogen bonding around an Fe—S cluster in Fer1 by substituting threonine with alanine (T11A) or valine (T11V) did not increase nitrogenase activity, indicating that disruption of hydrogen bonding does not explain the difference in activity observed for Fer1 T11I . Electron paramagnetic resonance spectroscopy studies revealed key differences in the electronic structure of Fer1 and Fer1 T11I , which indicate changes to the high spin states and/or spin-spin coupling between the Fe—S clusters of Fer1. Finally, our data implicates these electronic structure differences in facilitating electron flow and sets a foundation for further investigations to understand the connection between these properties and intermolecular electron transfer.

59 BASIC BIOLOGICAL SCIENCES↗

Entanglement Enabled Intensity Interferometry of different wavelengths of light

Highlights: • We use quantum entanglement to erase the color of photons for a new imaging method. • Can achieve higher resolution imaging by accessing hidden phase information. • We detail practical experimental designs to implement our theoretical protocols. We propose methods to perform intensity interferometry of photons having two different wavelengths. Distinguishable particles typically cannot interfere with each other, but we overcome that obstacle by processing the particles via entanglement and projection so that they lead to the same final state at the detection apparatus. Specifically, we discuss how quasi-phase-matched nonlinear crystals can be used to convert a quantum superposition of light of different wavelengths onto a common wavelength, while preserving the phase information essential for their meaningful interference. We thereby gain access to a host of new observables, which can probe subtle frequency correlations and entanglement. Further, we generalize the van Cittert–Zernike formula for the intensity interferometry of extended sources, demonstrate how our proposal supports enhanced resolution of sources with different spectral character, and suggest potential applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data for Attributing Differences of Solar-Induced Chlorophyll Fluorescence (SIF)-Gross Primary Production (GPP) Relationships between Two C4 Crops, Corn and Miscanthus

Information to characterize the solar-induced chlorophyll fluorescence (SIF)-gross primary production (GPP) relationship in C4 cropping systems remains limited. The annual C4 crop corn and perennial C4 crop miscanthus differ in phenology, canopy structure and leaf physiology. Investigating the SIF-GPP relationships in these species could deepen our understanding of SIF-GPP relationships within C4 crops. Using in situ canopy SIF and GPP measurements for both species along with leaf-level measurements, we found considerable differences in the SIF-GPP relationships between corn and miscanthus, with a stronger SIF-GPP relationship and higher slope of SIF-GPP observed in corn compared to miscanthus. These differences were mainly caused by leaf physiology. For miscanthus, high non-photochemical quenching (NPQ) under high light, temperature and water vapor deficit (VPD) conditions caused a large decline of fluorescence yield (ΦF), which further led to a SIF midday depression and weakened the SIF-GPP relationship. The larger slope in corn than miscanthus was mainly due to its higher GPP in mid-summer, largely attributed to the higher leaf photosynthesis and less NPQ. Our results demonstrated variation of the SIF-GPP relationship within C4 crops and highlighted the importance of leaf physiology in determining canopy SIF behaviors and SIF-GPP relationships.

Feedstock Production↗

Chandra Observations of Cygnus X-1 at Different Spectral States and Different Orbital Phases

Cygnus X-1 has been observed in different spectral states and at different orbit phases with the Chandra High Energy Transmission Grating Spectrometer. The observed absorption line and edge features are different in these observations. These differences may be caused by the variations of the column density at different orbit phases in a photoionized-wind accretion system. The variations of the absorption features observed in different states may also provide information about changes in the configuration of the corona and accretion disk around the black hole. We present results of our data analysis and discuss the physical implications of these results.

Feng, Yixin↗

Variations in the Sea Ice Edge and the Marginal Ice Zone on Different Spatial Scales as Observed from Different Satellite Sensor

The Marginal sea Ice Zone (MIZ) and the sea ice edge are the most dynamic areas of the sea ice cover. Knowledge of the sea ice edge location is vital for routing shipping in the polar regions. The ice edge is the location of recurrent plankton blooms, and is the habitat for a number of animals, including several which are under severe ecological threat. Polar lows are known to preferentially form along the sea ice edge because of induced atmospheric baroclinicity, and the ice edge is also the location of both vertical and horizontal ocean currents driven by thermal and salinity gradients. Finally, sea ice is both a driver and indicator of climate change and monitoring the position of the ice edge accurately over long time periods enables assessment of the impact of global and regional warming near the poles. Several sensors are currently in orbit that can monitor the sea ice edge. These sensors, though, have different spatial resolutions, different limitations, and different repeat frequencies. Satellite passive microwave sensors can monitor the ice edge on a daily or even twice-daily basis, albeit with low spatial resolution - 25 km for the Special Sensor Microwave Imager (SSM/I) or 12.5 km for the Advanced Microwave Scanning Radiometer (AMSR-E). Although special methods exist that allow the detection of the sea ice edge at a quarter of that nominal resolution (PSSM). Visible and infrared data from the Advanced Very High Resolution Radiometer (AVHRR) and from the Moderate Resolution Imaging Spectroradiometer (MODIS) provide daily coverage at 1 km and 250 m, respectively, but the surface observations me limited to cloud-free periods. The Landsat 7 Enhanced Thematic Mapper (ETM+) has a resolution of 15 to 30 m but is limited to cloud-free periods as well, and does not provide daily coverage. Imagery from Synthetic Aperture Radar (SAR) instruments has resolutions of tens of meters to 100 m, and can be used to distinguish open water and sea ice on the basis of surface and volume scattering characteristics. The Canadian RADARSAT C-band SAR provides data that cover the Arctic Ocean and the MIZ every 3 days. A change-point detection approach was utilized to obtain an ice edge estimate from the RADARSAT data The Quickscat scatterometer provides ice edge information with a resolution of a few kilometers on a near-daily basis. During portions of March and April of 2003 a series of aircraft flights were conducted over the ice edge in the Bering Sea carrying the Polarimetric Scanning Radiometer (PSR), which provides spectral coverage identical with the AMSR-E instrument at a resolution of 500 meters. In this study we investigated these different data sets and analyzed differences in their definition of the sea ice edge and the marginal ice zone and how these differences as well as their individual limitations affect the monitoring of the ice edge dynamics. We also examined how the nature of the sea ice edge, including its location, compactness and shape, changes over the seasons. Our approach was based on calculation of distances between ice edges derived from the satellite and aircraft data sets listed above as well as spectral coherence methods and shape parameters such as tortuosity, curvature, and fractional dimension.

Markus, Thorsten↗

Root traits reveal safety and efficiency differences in grasses and shrubs exposed to different fire regimes

Plant roots are important components of terrestrial ecosystems, but little is known about how root traits differ between plant species or vary across space in natural ecosystems. In this study, we investigated how root traits vary across grasses and woody shrubs in a tallgrass prairie located in Manhattan, KS, USA. Specifically, were interested in understanding how anatomical traits vary across these different plant groups, across different depths in the soil, and also across multiple areas of tallgrass prairie that are burned at different frequencies. We compared traits that allow roots to use soil water efficiently and those that help roots persist through extended periods of drought. We found that woody roots exhibited traits that allow them to use water efficiently in shallow soils but persist through drought in deeper soil. Here, these traits may allow shrubs to transport water from shallow soils to deeper soil after large rain events and resist extended periods without rain when soils become dry, which may allow woody plants to successfully compete for water in less frequently burned, more diverse plant communities. Grasses had traits that allow them to use water efficiently but also tolerate drought in shallow soils, regardless of fire treatment. This unique trait combination likely gives grasses a competitive advantage over other tallgrass prairie plants across different fire regimes. Together, these results show that anatomical root traits can be used to enhance mechanistic understanding of plant functioning in dynamic ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Lianas and Trees From a Seasonally Dry and a Wet Tropical Forest Did Not Differ in Embolism Resistance but Did Differ in Xylem Anatomical Traits in the Dry Forest

One of the most prominent changes in neotropical forests has been the increase in abundance and size of lianas. Studies suggest that lianas have more acquisitive strategies than trees, which could allow them to take advantage of water more effectively when it is available in water-limited forests, but few studies compared across growth form (i.e., lianas vs. trees) and forest type (i.e., wet vs. seasonally dry). We measured hydraulic and anatomical traits of co-occurring lianas and trees that convey drought resistance (xylem embolism resistance and intervessel pit membranes) and water transport capacity (xylem vessel diameter and density) in a seasonally dry and a wet evergreen tropical forest to address: (1) Are there differences between vulnerability to embolisms (P 50 —water potential at 50% loss of hydraulic conductivity) and hydraulic safety margins (HSM) across growth form and forest type? (2) How do vessel diameter and density vary across growth form and forest type? (3) Are there differences in xylem intervessel pit membrane thickness across growth form and forest type and does it predict xylem embolism vulnerability in trees and lianas? We examined hydraulic and xylem anatomical traits of 32 species—eight lianas and eight trees in each forest type. We found no difference in P 50 and HSMs between lianas and trees and between the wetter and drier forest. Dry forest lianas had 81% greater maximum vessel diameter and 125% greater range in vessel diameter sizes than dry forest trees but, there was no significant difference between life forms in the wet forest. Dry forest species had 50% greater vessel density and 30% greater maximum pit membrane thickness than wet forest ones. Maximum pit membrane thickness was correlated to P 50 and HSMs. The main difference between lianas and trees occurred in the dry forest, where lianas had larger maximum xylem vessel size than trees, implying that they have proportionally greater hydraulic conductive capacity than the trees in seasonal forests.

Smith-Martin, Chris M.↗

Different Enzyme Conformations Induce Different Mechanistic Traits in HIV‐1 Protease

Abstract The influence of the dynamical flexibility of enzymes on reaction mechanisms is a cornerstone in biological sciences. In this study, we aim to 1) study the convergence of the activation free energy by using the first step of the reaction catalysed by HIV‐1 protease as a case study, and 2) provide further evidence for a mechanistic divergence in this enzyme, as two different reaction pathways were seen to contribute to this step. We used quantum mechanics/molecular mechanics molecular dynamics simulations, on four different initial conformations that led to different barriers in a previous study. Despite the sampling, the four activation free energies still spanned a range of 5.0 kcal ⋅ mol −1 . Furthermore, the new simulations did confirm the occurrence of an unusual mechanistic divergence, with two different mechanistic pathways displaying equivalent barriers. An active‐site water molecule is proposed to influence the mechanistic pathway.

Coimbra, João T. S.↗

Regional Differences in the Structure of Juglans nigra Phytobiome Reflect Geographical Differences in Thousand Cankers Disease Severity

Thousand cankers disease threatens Juglans nigra (Eastern Black Walnut) in urban and natural landscapes. Incidence and severity of thousand cankers disease is higher in the host’s introduced range in the western United States. We hypothesized that these differences are driven partly by geographical variation in the host phytobiome due to its roles in host stress tolerance, nutrient acquisition, and defense. To evaluate the role of the phytobiome in mediating thousand cankers disease, we characterized the J. nigra phytobiome of diseased and healthy trees in portions of its native (Indiana and Tennessee) and introduced (Washington) ranges. Grafted clones present in each state and open-pollinated populations were sampled. DNA was extracted from soil and branch (caulosphere) tissues and internal transcribed spacer and 16s regions were sequenced for characterization of fungal and bacterial communities. We found that microbial communities in the caulosphere and soil differ between native and introduced ranges of J. nigra and harbor different mutualistic and pathogenic microorganisms. Additionally, caulosphere microbial communities were more species rich and diverse in the native range of J. nigra, suggesting greater levels of functional redundancy and multifunctionality in the native-range phytobiome compared with the introduced range. We also found higher network complexity in the caulosphere of trees in the introduced range and evidence for two alternative stable community states associated with diseased and healthy trees. Our results provide support for the hypothesis that geographical variation in thousand cankers disease incidence and severity is partially driven by differences in the phytobiome of J. nigra in its introduced and native ranges.

59 BASIC BIOLOGICAL SCIENCES↗

Critical differences in 3D atomic structure of individual ligand-protected nanocrystals in solution

Precise three-dimensional (3D) atomic structure determination of individual nanocrystals is a prerequisite for understanding and predicting their physical properties. Nanocrystals from the same synthesis batch display what are often presumed to be small but possibly important differences in size, lattice distortions, and defects, which can only be understood by structural characterization with high spatial 3D resolution. We solved the structures of individual colloidal platinum nanocrystals by developing atomic-resolution 3D liquid-cell electron microscopy to reveal critical intrinsic heterogeneity of ligand-protected platinum nanocrystals in solution, including structural degeneracies, lattice parameter deviations, internal defects, and strain. These differences in structure lead to substantial contributions to free energies, consequential enough that they must be considered in any discussion of fundamental nanocrystal properties or applications.

Kim, Byung Hyo↗

Differences in urban plant community compositions across an urban-rural gradient in Knoxville, TN

Urban forests, or vegetation in areas under heavy human influence, provide many ecosystem services to urban residents such as localized cooling via evapotranspiration, shade, filtering of air pollution, and the associated health benefits of natural spaces. In order to quantify the magnitude of localized cooling by trees growing in varying levels of urbanization (based on % impervious surfaces, e.g., buildings, pavement), urban forest species composition, tree size, and tree density must be characterized. As a part of Oak Ridge National Laboratory’s (ORNL) urban forest temperature study, we conducted tree censuses in five Knoxville city parks where ORNL meteorological stations are deployed. Moreover, we measured every woody plant ≥ 5 cm diameter at breast height (DBH) within a 50 m radius of each site’s meteorological station for its DBH and species identification. When possible, individuals were identified down to species. Certain genera (Quercus spp., Carya spp., Pinus spp.) were identified down to genera in interest of time. Individual and total site basal area were calculated from measured DBH data. Results show notable differences in urban plant community compositions and total woody plant basal area across sites, with more urban sites closer to downtown (West View and SEEED) having lower tree basal area than the more suburban sites (West Hills, Cumberland Estates, and Victor Ashe). We identified 54 species across all sites, with West Hills and Victor Ashe having the highest species diversity. Our results show differences in forest compositions and sizes across Knoxville, which are currently informing ORNL’s evapotranspiration estimates for each site. Data Summary: Census data for West Hills (WH), Cumberland Estates (CE), Victor Ashe (VA), West View (WV), and Socially Equal Energy Efficient Development or SEEED (SD) urban forests in Knoxville, TN, USA, including tree size based on diameter at breast height (DBH; 1.3 m), species identification (Latin and common names), and basal area per stem (BA=π×[.5*DBH]^2). Field data are summarized in this file: “Community_Composition_Data.CSV”. Site-specific data detailing each site’s coordinates, number of stems measured at DBH, average tree DBH, α-diversity (number of species present), and total site basal area (sum of individual basal areas per site) are in this file: “Site_Comparisons.CSV”.

Warren, Jeffrey [ORNL] (ORCID:0000000206804697)↗

Optical analysis of III-nitride micro-light-emitting diodes with different sidewall treatments at low current density operation

Here, in this work, the optical efficiency of III-nitride blue micro-LEDs (μLEDs) ranged from 5 × 5 to 60 × 60 μm 2 with different sidewall treatments at low current density range was investigated. The results showed dielectric sidewall passivation using atomic layer deposition (ALD) has superior optical enhancement compared to conventional RF sputtering, where most of the enhancement occurred at low current density range. Additionally, the use of ALD sidewall passivation and chemical treatment offered significant efficiency improvement for different sizes of μLEDs at operating less than 1 A cm −2 and the devices without sidewall treatments did not emit light. The effect of sidewall treatments to the effective Shockley–Read–Hall (SRH) nonradiative recombination coefficient, or the effective A coefficient from the ABC model, was estimated. The effective SRH nonradiative recombination coefficient was suppressed by two orders of magnitude for devices with sidewall treatments compared to devices without sidewall passivation.

Wong, Matthew S.↗

Continuous assimilation of simulated Geosat altimetric sea level into an eddy-resolving numerical ocean model. I - Sea level differences. II - Referenced sea level differences

The optimal interpolation method of Lorenc (1981) was used to conduct continuous assimilation of altimetric sea level differences from the simulated Geosat exact repeat mission (ERM) into a three-layer quasi-geostrophic eddy-resolving numerical ocean box model that simulates the statistics of mesoscale eddy activity in the western North Pacific. Assimilation was conducted continuously as the Geosat tracks appeared in simulated real time/space, with each track repeating every 17 days, but occurring at different times and locations within the 17-day period, as would have occurred in a realistic nowcast situation. This interpolation method was also used to conduct the assimilation of referenced altimetric sea level differences into the same model, performing the referencing of altimetric sea sevel differences by using the simulated sea level. The results of this dynamical interpolation procedure are compared with those of a statistical (i.e., optimum) interpolation procedure.

White, Warren B.↗