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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Lifecycle of updrafts and mass flux in isolated deep convection over the Amazon rainforest: insights from cell tracking

Long-term observations of deep convective cloud (DCC) vertical velocity and mass flux were collected during the Observations and Modelling of the Green Ocean Amazon (GoAmazon2014/5) experiment. Precipitation echoes from a surveillance weather radar near Manaus, Brazil, are tracked to identify and evaluate the isolated DCC lifecycle evolution during the dry and wet seasons. A radar wind profiler (RWP) provides precipitation and air motion profiles to estimate the vertical velocity, mass flux, and mass transport rates within overpassing DCC cores as a function of the tracked cell lifecycle stage. The average radar reflectivity factor (Z), DCC area (A), and surface rainfall rate (R) increased with DCC lifetime as convective cells were developing, reached a peak as the cells matured, and decreased thereafter as cells dissipated. As the convective cells mature, cumulative DCC properties exhibit stronger updraft behaviors with higher upward mass flux and transport rates above the melting layer (compared with initial and later lifecycle stages). In comparison, developing DCCs have the lowest Z associated with weak updrafts, as well as negative mass flux and transport rates above the melting layer. Over the DCC lifetime, the height of the maximum downward mass flux decreased, whereas the height of the maximum net mass flux increased. During the dry season, the tracked DCCs had higher Z, propagation speed, and DCC area, and were more isolated spatially compared with the wet season. Dry season DCCs exhibit higher Z, mass flux, and mass transport rate while developing, whereas wet season DCCs exhibit higher Z, mass flux, and mass transport rates at later stages.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Identification and functional analysis of strigolactone pathway genes regulating tillering traits in sugarcane

Abstract Saccharum officinarum and Saccharum spontaneum are two fundamental species of modern sugarcane cultivars, exhibiting divergent tillering patterns crucial for sugarcane architecture and yield. Strigolactones (SLs), a class of plant hormones, are considered to play a central role in shaping plant form and regulating tillering. Our study highlights the distinct tillering patterns observed between S. officinarum and S. spontaneum and implicates significant differences in SL levels in root exudates between the two species. Treatment with rac-GR24 (an artificial SL analog) suppressed tillering in S. spontaneum. Based on transcriptome analysis, we focused on two genes, TRANSCRIPTION ELONGATION FACTOR 1 (TEF1) and CIRCADIAN CLOCK ASSOCIATED1 (CCA1), which show higher expression in S. spontaneum or S. officinarum, respectively. While the overexpression of SoCCA1 did not lead to significant phenotypic differences, overexpression of SsTEF1 in rice stimulated tillering and inhibited plant height, demonstrating its role in tillering regulation. However, the overexpression of suggests that SoCCA1 may not be the key regulator of sugarcane tillering. Yeast one-hybrid assays identified four transcription factors (TFs) regulating SsTEF1 and four and five TFs regulating SsCCA1 and SoCCA1. This study provides a theoretical foundation for deciphering the molecular mechanisms underlying the different tillering behaviors between S. officinarum and S. spontaneum, providing valuable insights for the molecular-based design of sugarcane breeding strategies.

Qi, Yiying↗
DOE OSTI2026

Framework for X-ray mirror surface shape fitting

For accurate characterization of grazing-incidence X-ray mirrors, we present a comprehensive framework to fit measured surface shapes (either slope or height) of X-ray mirrors used in synchrotron radiation and free-electron laser facilities. We summarize the closed-form expressions of some typical surface shapes of X-ray mirrors including elliptic cylinders, hyperbolic cylinders, ellipsoids, hyperboloids, and diaboloids. This framework is composed of four layers: definition of standard shapes with closed-form expressions, generation of theoretical surface with pose parameters (six degrees of freedom defining an object's position and orientation relative to a coordinate system), parameter optimization with the ability to select which parameters are fit and which are held constant, and the development of user-friendly fitting function wrappers for particular fitting tasks. A few practical fitting examples are demonstrated to verify the effectiveness of the proposed fitting framework. We discuss the physical meanings of the fitting parameters, and provide several examples using the elliptic cylinder and ellipsoid shapes to highlight some features of the framework. Moreover, we provide the presented framework as open-source codes (MATLAB and Python codes available at https://github.com/nsls2omf/xmf) to the community to encourage academic collaboration and further improvements.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Coupling fine-scale root and canopy structure using ground-based remote sensing

Ecosystem physical structure, defined by the quantity and spatial distribution of biomass, influences a range of ecosystem functions. Remote sensing tools permit the non-destructive characterization of canopy and root features, potentially providing opportunities to link above- and belowground structure at fine spatial resolution in functionally meaningful ways. To test this possibility, we employed ground-based portable canopy LiDAR (PCL) and ground penetrating radar (GPR) along co-located transects in forested sites spanning multiple stages of ecosystem development and, consequently, of structural complexity. We examined canopy and root structural data for coherence (i.e., correlation in the frequency of spatial variation) at multiple spatial scales 10 m within each site using wavelet analysis. Forest sites varied substantially in vertical canopy and root structure, with leaf area index and root mass more becoming even vertically as forests aged. In all sites, above- and belowground structure, characterized as mean maximum canopy height and root mass, exhibited significant coherence at a scale of 3.5–4 m, and results suggest that the scale of coherence may increase with stand age. Our findings demonstrate that canopy and root structure are linked at characteristic spatial scales, which provides the basis to optimize scales of observation. Lastly, our study highlights the potential, and limitations, for fusing LiDAR and radar technologies to quantitatively couple above- and belowground ecosystem structure.

09 BIOMASS FUELS↗
DOE OSTI2020

US East Coast synthetic aperture radar wind atlas for offshore wind energy

We present the first synthetic aperture radar (SAR) offshore wind atlas of the US East Coast from Georgia to the Canadian border. Images from RADARSAT-1, Envisat, and Sentinel-1A/B are processed to wind maps using the geophysical model function (GMF) CMOD5.N. Extensive comparisons with 6008 collocated buoy observations of the wind speed reveal that biases of the individual systems range from -0.8 to 0.6 m s -1 . Unbiased wind retrievals are crucial for producing an accurate wind atlas, and intercalibration of the SAR observations is therefore applied. Wind retrievals from the intercalibrated SAR observations show biases in the range of to -0.2 to 0.0 m s -1 , while at the same time improving the root-mean-squared error from 1.67 to 1.46 m s -1 . The intercalibrated SAR observations are, for the first time, aggregated to create a wind atlas at the height 10 m a.s.l. (above sea level). The SAR wind atlas is used as a reference to study wind resources derived from the Wind Integration National Dataset Toolkit (WTK), which is based on 7 years of modelling output from the Weather Research and Forecasting (WRF) model. Comparisons focus on the spatial variation in wind resources and show that model outputs lead to lower coastal wind speed gradients than those derived from SAR. Areas designated for offshore wind development by the Bureau of Ocean Energy Management are investigated in more detail; the wind resources in terms of the mean wind speed show spatial variations within each designated area between 0.3 and 0.5 m s -1 for SAR and less than 0.2m s -1 for the WTK. Our findings indicate that wind speed gradients and variations might be underestimated in mesoscale model outputs along the US East Coast.

17 WIND ENERGY↗
NASA NTRS2003

Scanning Tunneling Optical Resonance Microscopy

Scanning tunneling optical resonance microscopy (STORM) is a method, now undergoing development, for measuring optoelectronic properties of materials and devices on the nanoscale by means of a combination of (1) traditional scanning tunneling microscopy (STM) with (2) tunable laser spectroscopy. In STORM, an STM tip probing a semiconductor is illuminated with modulated light at a wavelength in the visible-to-near-infrared range and the resulting photoenhancement of the tunneling current is measured as a function of the illuminating wavelength. The photoenhancement of tunneling current occurs when the laser photon energy is sufficient to excite charge carriers into the conduction band of the semiconductor. Figure 1 schematically depicts a proposed STORM apparatus. The light for illuminating the semiconductor specimen at the STM would be generated by a ring laser that would be tunable across the wavelength range of interest. The laser beam would be chopped by an achromatic liquid-crystal modulator. A polarization-maintaining optical fiber would couple the light to the tip/sample junction of a commercial STM. An STM can be operated in one of two modes: constant height or constant current. A STORM apparatus would be operated in the constant-current mode, in which the height of the tip relative to the specimen would be varied in order to keep the tunneling current constant. In this mode, a feedback control circuit adjusts the voltage applied to a piezoelectric actuator in the STM that adjusts the height of the STM tip to keep the tunneling current constant. The exponential relationship between the tunneling current and tip-to-sample distance makes it relatively easy to implement this mode of operation. The choice of method by which the photoenhanced portion of the tunneling current would be measured depends on choice of the frequency at which the input illumination would be modulated (chopped). If the frequency of modulation were low enough (typically < 10 Hz) that the feedback circuit could respond, then the voltage applied to the piezoelectric tip-height actuator could be measured by use of a lock-in amplifier locked to the modulation (chopping) signal. However, at a high modulation frequency (typically in the kilohertz range or higher), the feedback circuit would be unable to respond. In this case, the photoenhanced portion of the tunneling current could be measured directly. For this purpose, the tunneling current would be passed through a precise resistor and the voltage drop would be measured by use of the lock-in amplifier.

Bailey, Sheila↗
DOE OSTI2019

Ballistics of self-jumping microdroplets

Water-repellent materials ideally operate at very different liquid scales: from centimeter-size for bugs living on ponds through millimeter-size for antirain functions to micrometer-size for antifogging solids. In the last situation, it was recently evidenced that microdrops condensing on a highly nonadhesive substrate can take advantage from coalescence to jump off the material, even if the dynamical characteristics of the jump were not established at such microscales. We demonstrate in this paper that the jumping speed of drops is nonmonotonic with the drop size, showing a maximum around 5μm (a size commonly observed in dew), below and above which viscous and inertial effects, respectively, impede the takeoff. We quantitatively describe this optimum in antifogging. Here, we also studied the ballistics of the jumping microdrops, from the height they reached to their behavior at landing; a situation where retakeoff is surprisingly found to be nearly unachievable despite the extreme nonwettability of the material.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Engineering custom morpho- and chemotypes of Populus for sustainable production of biofuels, bioproducts, and biomaterials

Humans have been modifying plant traits for thousands of years, first through selection (i.e., domestication) then modern breeding, and in the last 30 years, through biotechnology. These modifications have resulted in increased yield, more efficient agronomic practices, and enhanced quality traits. Precision knowledge of gene regulation and function through high-resolution single-cell omics technologies, coupled with the ability to engineer plant genomes at the DNA sequence, chromatin accessibility, and gene expression levels, can enable engineering of complex and complementary traits at the biosystem level. Populus spp., the primary genetic model system for woody perennials, are among the fastest growing trees in temperate zones and are important for both carbon sequestration and global carbon cycling. Ample genomic and transcriptomic resources for poplar are available including emerging single-cell omics datasets. To expand use of poplar outside of valorization of woody biomass, chassis with novel morphotypes in which stem branching and tree height are modified can be fabricated thereby leading to trees with altered leaf to wood ratios. These morphotypes can then be engineered into customized chemotypes that produce high value biofuels, bioproducts, and biomaterials not only in specific organs but also in a cell-type-specific manner. For example, the recent discovery of triterpene production in poplar leaf trichomes can be exploited using cell-type specific regulatory sequences to synthesize high value terpenes such as the jet fuel precursor bisabolene specifically in the trichomes. By spatially and temporally controlling expression, not only can pools of abundant precursors be exploited but engineered molecules can be sequestered in discrete cell structures in the leaf. The structural diversity of the hemicellulose xylan is a barrier to fully utilizing lignocellulose in biomaterial production and by leveraging cell-type-specific omics data, cell wall composition can be modified in a tailored and targeted specific manner to generate poplar wood with novel chemical features that are amenable for processing or advanced manufacturing. Precision engineering poplar as a multi-purpose sustainable feedstock highlights how genome engineering can be used to re-imagine a crop species.

09 BIOMASS FUELS↗
NASA NTRS2009

Study of Electro-Cyclonic Filtration and Pneumatic Transfer of Lunar Regolith Simulants under 1/6-g and 1-g Gravity Conditions

NASA has built a prototype oxygen production plant to process the lunar regolith using the hydrogen reduction chemical process. This plant is known as "ROxygen - making oxygen from moon rocks". The ROxygen regolith transfer team has identified the flow and transfer characteristics of lunar regolith simulant to be a concern for lunar oxygen production efforts. It is important to ISRU lunar exploration efforts to develop hardware designs that can demonstrate the ability to flow and transfer a given mass of regolith simulant to a desired vertical height under lunar gravity conditions in order to introduce it into a reactor. We will present results obtained under both 1/6-g and 1-g gravity conditions for a system that can pneumatically convey 16.5 kg of lunar regolith simulant (NU-LHT-2M, Mauna Kea Tephra, and JSC-1A) from a flat-bottom supply hopper to a simulated ISRU reactor (dual-chambered receiving hopper) where the granular material is separated from the convey gas (air) using a series of cyclone separators, one of which is an electrically enhanced cyclone separator (electrocyclone). The results of our study include (1) the mass flow rate as a function of input air pressure for lunar regolith simulants that are conveyed pneumatically as a dusty gas in a vertical direction against gravity under lunar gravity conditions (for NU-LHT-2M and Mauna Kea Tephra), and under earth gravity conditions (for NU-LHT-2M, Mauna Kea Tephra and JSC-1A), and (2) the efficiency of the cyclone/electrocyclone filtration system in separating the convey gas (air) from the granular particulates as a function of particle size.

Mantovani, James G.↗
DOE OSTI2022

A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy

Depleted uranium hexafluoride (UF 6 ), a stockpiled byproduct of the nuclear fuel cycle, reacts readily with atmospheric humidity, but the mechanism is poorly understood. Here we compare several potential initiation steps at a consistent level of theory, generating underlying structures and vibrational modes using hybrid density functional theory (DFT) and computing relative energies of stationary points with double-hybrid (DH) DFT. A benchmark comparison is performed to assess the quality of DH-DFT data using reference energy differences obtained using a complete-basis-limit coupled-cluster (CC) composite method. The associated large-basis CC computations were enabled by a new general-purpose pseudopotential capability implemented as part of this work. Dispersion-corrected parameter-free DH-DFT methods, namely PBE0-DH-D3(BJ) and PBE-QIDH-D3(BJ), provided mean unsigned errors within chemical accuracy (1 kcal mol -1 ) for a set of barrier heights corresponding to the most energetically favorable initiation steps. The hydrolysis mechanism is found to proceed via intermolecular hydrogen transfer within van der Waals complexes involving UF 6 , UF 5 OH, and UOF 4 , in agreement with previous studies, followed by the formation of a previously unappreciated dihydroxide intermediate, UF 4 (OH) 2 . The dihydroxide is predicted to form under both kinetic and thermodynamic control, and, unlike the alternate pathway leading to the UO 2 F 2 monomer, its reaction energy is exothermic, in agreement with observation. Finally, harmonic and anharmonic vibrational simulations are performed to reinterpret literature infrared spectroscopy in light of this newly identified species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Performance characteristics of wind profiling radars

Doppler radars used to measure winds in the troposphere and lower stratosphere for weather analysis and forecasting are lower-sensitivity versions of mesosphere-stratosphere-troposphere radars widely used for research. The term wind profiler is used to denote these radars because measurements of vertical profiles of horizontal and vertical wind are their primary function. It is clear that wind profilers will be in widespread use within five years: procurement of a network of 30 wind profilers is underway. The Wave Propagation Laboratory (WPL) has operated a small research network of radar wind profilers in Colorado for about two and one-half years. The transmitted power and antenna aperture for these radars is given. Data archiving procedures have been in place for about one year, and this data base is used to evaluate the performance of the radars. One of the prime concerns of potential wind profilers users is how often and how long wind measurements are lacking at a given height. Since these outages constitute an important part of the performance of the wind profilers, they are calculated at three radar frequencies, 50-, 405-, and 915-MHz, (wavelengths of 6-, 0.74-, and 0.33-m) at monthly intervals to determine both the number of outages at each frequency and annual variations in outages.

Strauch, R. G.↗
NASA NTRS1999

Ocean Wave Studies with Applications to Ocean Modeling and Improvement of Satellite Altimeter Measurements

Combining analysis of satellite data (altimeter, scatterometer, high-resolution visible and infrared images, etc.) with mathematical modeling of non-linear wave processes, we investigate various ocean wave fields (on scales from capillary to planetary), their role in ocean dynamics and turbulent transport (of heat and biogeochemical quantities), and their effects on satellite altimeter measuring accuracy. In 1998 my attention was focused on long internal gravity waves (10 to 1000 km), known also as baroclinic inertia-gravity (BIG) waves. We found these waves to be a major factor of altimeter measurements "noise," resulting in a greater uncertainty [up to 10 cm in terms of sea surface height (SSH) amplitude] in the measured SSH signal than that caused by the sea state bias variations (up to 5 cm or so). This effect still remains largely overlooked by the satellite altimeter community. Our studies of BIG waves address not only their influence on altimeter measurements but also their role in global ocean dynamics and in transport and turbulent diffusion of biogeochemical quantities. In particular, in collaboration with Prof Peter Weichman, Caltech, we developed a theory of turbulent diffusion caused by wave motions of most general nature. Applied to the problem of horizontal turbulent diffusion in the ocean, the theory yielded the effective diffusion coefficient as a function of BIG wave parameters obtainable from satellite altimeter data. This effort, begun in 1997, has been successfully completed in 1998. We also developed a theory that relates spatial fluctuations of scalar fields (such as sea surface temperature, chlorophyll concentration, drifting ice concentration, etc.) to statistical characteristics of BIG waves obtainable from altimeter measurements. A manuscript is in the final stages of preparation. In order to verify the theoretical predictions and apply them to observations, we are now analyzing Sea-viewing Wide Field of view Sensor (SeaWiFS) and Field of view Sensor (SeaWiFS) and Advanced Very High-Resolution Radiometer (AVHRR) data on sea surface temperature (SST) and chlorophyll concentration jointly with TOPEX/POSEIDON data on SSH variations.

Glazman, Roman E.↗
NASA NTRS2019

Average Path Profile of Atmospheric Temperature and Humidity Structure Parameters from a Microwave Profiling Radiometer

The values of the key atmospheric turbulence parameters (structure constants) for temperature and water vapor, that is, C(exp 2)(sub T), and C(exp 2)(sub Q), are highly dependent upon the vertical height within the atmosphere thus making it necessary to specify profiles of these values along the atmospheric propagation path. The remote sensing method suggested and described in this work makes use of a rapidly integrating microwave profiling radiometer to capture profiles of temperature and humidity through the atmosphere. The integration times of currently available profiling radiometers are such that they are approaching the temporal intervals over which one can possibly make meaningful assessments of these key atmospheric parameters. These integration times, coupled with the boundary effects of the Earth’s surface are, however, unconventional for turbulence characterization; the classical Kolmogorov turbulence theory and related 2/3 law for structure functions prevalent in the inertial subrange are no longer appropriate. An alternative to this classical approach is derived from first principles to account for the nuances of turbulent mechanics met with using radiometer sensing, that is, the large-scale turbulence driven by the various possible boundary conditions within the buoyancy subrange. Analytical expressions connecting the measured structure functions to the corresponding structure parameters are obtained. The theory is then applied to an experimental scenario involving radiometric profile measurements of temperature and shows very good results.

Manning, Robert M.↗
DOE OSTI2018

Robotic Crane System for the Deconstruction of Chernobyl Unit 4 - 18583

The Chernobyl Nuclear Power Plant (ChNPP) Unit 4 accident occurred on April 26, 1986 leaving a severely damaged reactor building and a highly radioactive area. To minimize the long-term radiological impact to personnel and the environment, Unit 4 was immediately enclosed by a structure named the Object Shelter (OS). To transform the OS into an ecologically safe system, the Shelter Implementation Plan (SIP) was developed in 1997. The most significant SIP tasks was the design and construction of the New Safe Confinement (NSC). The NSC is a 36,000 tonne arch enclosure that includes a suite of process equipment to address the ruins of Unit 4 while assuring the safety of workers, public, and the environment. The NSC has a span of 257 meters, length of 164 meters, and height of 110 meters and is designed for a 100 years life. The New Safe Confinement was slid from its erection area to directly over Unit 4 (a distance of 327 meters) in November 2016. One of the major mechanical handling systems installed in the NSC is the Main Cranes System (MCS), designed and fabricated by PaR Systems (USA). The planned deconstruction activities require the handling of shielded waste disposal casks containing fuel as well as transporting extremely large structural elements -remotely controlled using video surveillance equipment. The lifting activities required the cranes to be tele-robotically controlled to prevent inadvertent collisions, expedite repetitive and high accuracy functions, protect the equipment and structures within the NSC as well as increase the overall effectiveness of the MCS. In addition, due to the elevated radiation levels, remote deconstruction activities will need to be performed. The MCS has design provisions included for a tele-robotically controlled manipulator and a suite of tooling to be used for multiple activities including concrete coring, cutting, debris collection and other heavy demolition activities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Recovery of Forest Structure Following Large-Scale Windthrows in the Northwestern Amazon

The dynamics of forest recovery after windthrows (i.e., broken or uprooted trees by wind) are poorly understood in tropical forests. The Northwestern Amazon (NWA) is characterized by a higher occurrence of windthrows, greater rainfall, and higher annual tree mortality rates (~2%) than the Central Amazon (CA). We combined forest inventory data from three sites in the Iquitos region of Peru, with recovery periods spanning 2, 12, and 22 years following windthrow events. Study sites and sampling areas were selected by assessing the windthrow severity using remote sensing. At each site, we recorded all trees with a diameter at breast height (DBH) ≥ 10 cm along transects, capturing the range of windthrow severity from old-growth to highly disturbed (mortality > 60%) forest. Across all damage classes, tree density and basal area recovered to >90% of the old-growth values after 20 years. Aboveground biomass (AGB) in old-growth forest was 380 (±156) Mg ha -1 . In extremely disturbed areas, AGB was still reduced to 163 (±68) Mg ha -1 after 2 years and 323 (± 139) Mg ha -1 after 12 years. This recovery rate is ~50% faster than that reported for Central Amazon forests. The faster recovery of forest structure in our study region may be a function of its higher productivity and adaptability to more frequent and severe windthrows. These varying rates of recovery highlight the importance of extreme wind and rainfall on shaping gradients of forest structure in the Amazon, and the different vulnerabilities of these forests to natural disturbances whose severity and frequency are being altered by climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Landscape-scale Characterization of Arctic Tundra Vegetation Composition, Structure, and Function with a Multi-sensor Unoccupied Aerial System: Supporting Data.

Airborne remote sensing data collected using the Brookhaven National Laboratory's (BNL) heavy-lift unoccupied aerial system (UAS) octocopter platform, the Osprey, operated by the Terrestrial Ecosystem Science and Technology (TEST) group (https://www.bnl.gov/testgroup). This package includes data from three flights flown over the NGEE-Arctic Council, Kougarok and Teller sites in July, 2018. The Osprey is a multi-sensor UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) and thermal infrared (TIR) surface 'skin' temperature imagery, as well as surface reflectance at 1 nm intervals in the visible to near-infrared spectral range 350 - 1000 nm measured at regular intervals along each flight path. Derived image products include ortho-mosaiced RGB and TIR images, an RGB-based digital surface model (DSM) using the structure from motion (SfM) technique, digital terrain model (DTM), and a canopy height model (CHM). In addition, a VNIR surface reflectance file is provided for the trigger locations collected during each flight campaign. Ancillary aircraft data, flight mission parameters, and general flight conditions provided by the onboard flight and data collection computers are also included. Unprocessed and processed data products are included in this package (processing levels 0-3). Data and metadata are provided as text (*.txt, *.json, *.kml, *hdr, *.enp), tabular (*.dat, *.csv, *.waypoint, ENVI format (no extension)), point cloud (*.laz) and image (*.jpg, *.tif, *png) formats. This metadata document contains flight campaign, instrument and file metadata, along with a description of data processing levels, data products and file naming scheme.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy?s Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2019

Fusion of Surface Ceilometer Data and Satellite Cloud Retrievals in 2D Mesh Interpolating Model with Clustering

For accurate cloud ceiling information, a data fusion approach is proposed that utilizes satellite data to extend surface station information to much wider areas. Cloud base height (CBH) retrieved from satellite observations provides for much larger spatial coverage and higher resolution. The direct comparison of GOES-16 CBH with surface station ceiling yields a local bias that has to be corrected for in the initial GOES-16 cloud base information. This sparsely sampled bias correction presents an irregular 2D mesh of control points, which is then interpolated by constructing a continuous smooth field using polyharmonic splines. The influence of remote stations is restricted by grouping the control points into clusters depending on an effective distance. This cluster-based approach allows for constructing separate spline surfaces corresponding to physically different clouds. The obtained continuous bias correction function is then applied to the entire GOES-16 pixel level CBH except for areas far away from surface stations in data sparse regions such as offshore. The described method is currently being tested using daytime-only observations over the central and eastern United States. Overall, this approach has potential to provide more accurate, high spatial resolution cloud ceiling information for the aviation community.

Khlopenkov, Konstantin↗
DOE OSTI2024

How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?

Bolstered by recent calculations of exact functional-driven errors (FEs) and density-driven errors (DEs) of semilocal density functionals in the water dimer binding energy , we investigate approximate FEs and DEs in neutral water clusters containing up to 20 monomers, charged water clusters, and alkali- and halide-water clusters. Our proxy for the exact density is r 2 SCAN 50, a 50% global hybrid of exact exchange with r 2 SCAN, which may be less correct than r 2 SCAN for the compact water monomer but importantly more correct for long-range electron transfers in the noncompact water clusters. We show that SCAN makes substantially larger FEs for neutral water clusters than r 2 SCAN, while both make essentially the same DEs. Unlike the case for barrier heights, these FEs are small in a relative sense and become large in an absolute sense only due to an increase in cluster size. SCAN@HF, short for SCAN evaluated on the Hartree–Fock (HF) density, produces a cancellation of errors that makes it chemically accurate for predicting the absolute binding energies of water clusters. Likewise, adding a long-range dispersion correction to r 2 SCAN@HF, as in the composite method HF-r 2 SCAN-DC4, makes its FE more negative than in r 2 SCAN@HF, permitting a near-perfect cancellation of FE and DE. r 2 SCAN by itself (and even more so, r 2 SCAN evaluated on the r 2 SCAN 50 density), is almost perfect for the energy differences between water hexamers, and thus probably also for liquid water away from the boiling point. Thus, the accuracy of composite methods like SCAN@HF and HF-r 2 SCAN-DC4 is not due to the HF density being closer to the exact density, but to a compensation of errors from its greater degree of localization. We also give an argument for the approximate reliability of this unconventional error cancellation for diverse molecular properties. Lastly, we confirm this unconventional error cancellation for the SCAN description of the water trimer via Kohn–Sham inversion of the CCSD(T) density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗