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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Radon Isotopes and Stable Water Isotopes from Coal Creek Watershed, Colorado (2021)

The radon isotope and stable water isotope data for Coal Creek Watershed, Colorado, consists of d2H, d18O, and 222Rn values from samples collected at 8 stream location along Coal Creek, samples from 7 groundwater springs within the watershed, and precipitation isotope samples collected by Next Generation Water Observing System (NGWOS) from a collector within the watershed. All stream and spring samples were collected between June and October, 2021, and precipitation isotope samples were collected between November 2020 and September 2021. These data were collected to evaluate how groundwater contributions to Coal Creek originating from a fractured hillslope and alluvial fan respond to summer monsoon rains and seasonal drying. Understanding of groundwater-surface water interactions in montane systems in critical for the future of water availability in the Western US as groundwater contributions are expected to become more important for sustaining summer stream flows. This data package contains: (1) a csv of all radon samples; (2) a csv of all stream and spring isotope samples; (3) a csv of precipitation isotope samples; and (4) a csv of locations for each sampling site. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surface

Directly visualizing chemical trajectories offers insights into catalysis, gas-phase reactions and photoinduced dynamics. Tracking the transformation of chemical species is best achieved by coupling theory and experiment. Here we developed Digital Twin for Chemical Science (DTCS) v.01, which integrates theory, experiment and their bidirectional feedback loops into a unified platform for chemical characterization. DTCS addresses a core question: given a set of experimental conditions, what is the expected outcome and why? It consists of a forward solver that takes a chemical reaction network and predicts spectra under experimental conditions, and an inverse solver that infers kinetics from measured spectra. We applied DTCS to ambient-pressure X-ray photoelectron spectroscopy measurements of the Ag–H2O interface as an example. This approach enables real-time knowledge extraction and guides experiments until a stopping condition is met based on accuracy and degeneracy. As a step toward autonomous chemical characterization, DTCS provides mechanistic knowledge in a verified, standardized manner.

Chemistry↗
DOE OSTI2025

WHONDRS River Corridor Sediment and Water Geochemistry and In Situ Sensor Data from 7 Perennial and 7 Intermittent Streams across San Antonio, Texas (v3)

This dataset supports a broader study examining the effects of intermittency on sediment respiration. The dataset provides sediment and surface water geochemistry and in situ sensor data from 7 perennial and 7 intermittent streams in San Antonio, Texas. Each stream/site was visited both in summer during base flow (July-September 2023) and winter during peak flow (January-February 2024). Related data were collected and will be published separately in collaboration with A. Veach. The data package was originally published in April 2025. It was updated in June 2025 (v2; modified and new files) and September 2025 (v3; modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of two folders of field photos and videos, one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) international generic sample number (IGSN) mapping file; (6) field protocol; (7) a subfolder with sample data; and (8) a subfolder with sensor data. The sample data subfolder contains (1) surface water and sediment dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) surface water and sediment total nitrogen data and averages; (3) sediment grain size data; (4) sediment iron (II) data and averages; (5) wet sediment mass, dry sediment mass, water mass, and wet sediment volume in incubation and sediment ICR vials; (7) sediment incubation respiration rate data and averages; (8) normalized respiration rate data and averages; (9) methods codes; (10) sediment percent carbon and nitrogen; (11) sediment X-ray diffraction (XRD) data; (12) gravimetric moisture and averages; (13) a subfolder with sediment incubation respiration data, scripts, and plots; (14) surface water and sediment FTICR methods; and (15) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains five subfolders, one containing the sediment .xml data files, one containing the water .xml files, one containing the sediment CoreMS output files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). The sensor data subfolder contains (1) a subfolder with miniDOT dissolved oxygen and temperature data and plots; (2) miniDOT dissolved oxygen and temperature summary data; and (3) miniDOT installation methods. All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4. CORRECTION: The data processing methods for FTICR described in “v3_WHONDRS_AV1_Methods_Codes.csv” mistakenly indicate that users should process the data in Formultitude. The corrected description should read: “Both unprocessed and processed data are provided to allow users flexibility in data processing. Instructions and scripts for processing the data using CoreMS are included.” CORRECTION: Carbon and nitrogen content are reported as percentages. The current column headers "01395_C_percent_per_mg" and "01397_N_percent_per_mg" are incorrect. These should read "01395_C_percent" and "01397_N_percent" and will be corrected in the next version of this data package.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

DEM, DSM, and Cleaned LiDAR Point Cloud Data from the NGEE Arctic UAS Campaigns at the Teller 27 Field Site from 2017 and 2018, Seward Peninsula, Alaska

A Digital Elevation Model (DEM) and Digital Surface Model (DSM) were derived from airborne Light Detection and Ranging (LiDAR) data collected from Los Alamos National Laboratory's (LANL) heavy-lift unoccupied aerial system (UAS) quadcopter and hexacopter platforms operated by Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic) scientists from the EES-14 group at LANL. These data were collected in August 2017 and July 2018 at the NGEE Arctic field site near mile marker 27 of the Bob Blodgett Nome-Teller Memorial Highway between Nome, Alaska and Teller, Alaska. A Vulcan Raven X8 Airframe (Mitcheldean, Gloucestershire, UK), DJI Matrice 600 Pro Airframe (Shenzhen, China), and Routescene UAV LiDARSystem (Edinburgh, Scotland, UK) were used to collect LiDAR data. Following pre-processing in Routescene LidarViewer Pro software, the LiDAR point clouds were cleaned and processed using CloudCompare software to separate ground and off-ground points. A high resolution DEM and DSM were then created using ArcGIS Pro software. This data package contains fully cleaned point clouds of ground and off-ground points (.las), a 25 cm DEM (.tif), and a 25 cm DSM (.tif) for the Teller 27 field site. Ancillary aircraft data, flight mission parameters, weather conditions, and raw lidar data and imagery can be found in the L0 datasets for these campaigns: NGA299 (2017) and NGA297 (2018). Minimally processed point clouds and auxiliary files can be found in the L1 dataset: NGA304 (2017 and 2018).The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) 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↗
DOE OSTI2025

Geochemistry and Strontium Isotopes for Coal Creek Watershed, Colorado, 2021-2022

The geochemistry and strontium isotope data for Coal Creek Watershed, Colorado, consists of cation, anion, and 87Sr/87Sr isotope values from samples collected at 8 stream location along Coal Creek, samples from two groundwater springs within the watershed, and a shallow subsurface piezometer. All stream and spring samples were collected between June and October, 2021, and the shallow, near stream piezometer sample was collected in July of 2022. These data were collected to evaluate how groundwater contributions to Coal Creek originating from shallow vs deep flow paths respond seasonal drying. Understanding of groundwater-surface water interactions in montane systems in critical for the future of water availability in the Western US as groundwater contributions are expected to become more important for sustaining summer stream flows. This data package contains: (1) a csv of all cation samples; (2) a csv of all anion samples; (3) a csv of all 87Sr/87Sr isotope samples; and (4) a csv of locations for each sampling site. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Assessing Nontrivial Topology in Weyl Semimetals by Dichroic Photoemission

The electronic structure of Weyl semimetals features Berry flux monopoles in the bulk and Fermi arcs at the surface. While angle-resolved photoelectron spectroscopy (ARPES) is successfully used to map the bulk and surface bands, it remains a challenge to explicitly resolve and pinpoint these topological features. Here we combine state-of-the-art photoemission theory and experiments over a wide range of excitation energies for the Weyl semimetals TaAs and TaP. Further, our results show that simple surface-band-counting schemes, proposed previously to identify nonzero Chern numbers, are ambiguous due to pronounced momentum-dependent spectral weight variations and the pronounced surface-bulk hybridization. Instead, our findings indicate that dichroic ARPES provides an improved approach to identify Fermi arcs but requires an accurate description of the photoelectron final state.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mixed excitonic nature in water-oxidized BiVO 4 surfaces with defects

BiVO 4 is a promising photocatalyst for efficient water oxidation, with surface reactivity determined by the structure of active catalytic sites. Surface oxidation in the presence of oxygen vacancies induces electron localization, suggesting an atomistic route to improve the charge transfer efficiency within the catalytic cycle. In this paper, we study the effect of oxygen vacancies on the electronic and optical properties at BiVO 4 surfaces upon water oxidation. We use density functional theory and many-body perturbation theory to explore the change in the electronic and quasiparticle energy levels and to evaluate the electron-hole coupling as a function of the underlying structure. Further we show that while the presence of defects alters the atomic structure and largely modifies the wave-function nature, leading to defect-localized states at the quasiparticle gap region, the optical excitations remain largely unchanged due to the substantial hybridization of defect and nondefect electron-hole transitions. Our findings suggest that defect-induced surface oxidation supports improved electron transport, both through bound and tunable electronic states and via a mixed nature of the optical transitions, expected to reduce electron-hole defect trapping.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Rapid Alloy Surface Engineering through Closed-Vessel Reagent Pyrolysis

For rapid surface engineering of Cr-containing alloys by low-temperature nitrocarburization, we introduce a process based on pyrolysis of solid reagents, e.g., urea, performed in an evacuated closed vessel. Upon heating to temperatures high enough for rapid diffusion of interstitial solute, but low enough to avoid second-phase precipitation, the reagent is pyrolyzed to a gas atmosphere containing molecules that (i) activate the alloy surface by stripping away the passivating Cr 2 O 3 -rich surface film (diffusion barrier) and (ii) rapidly infuse carbon and nitrogen into the alloy. We demonstrate quantitatively that this method can generate a subsurface zone with concentrated carbon and nitrogen comparable to what can be accomplished by established (e.g., gas-phase- or plasma-based) methods, but with significantly reduced processing time. As another important difference to established gas-phase processing, the interaction of gas molecules with the alloy surface can have auto-catalytic effects by altering the gas composition in a way that accelerates solute infusion by providing a high activity of HNCO. The new method lends itself to rapid experimentation with a minimum of laboratory equipment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Control of the Plasma-Material Interface for Long Pulse Optimization in the Experimental Advanced Superconducting Tokamak (EAST) (Final Report)

This project involved a collaborative effort, led by Dr. Rajesh Maingi of Princeton Plasma Physics Laboratory, to understand and control the plasma-material interface to improve long pulse discharge control and performance in the EAST devices. The focus is on long pulse recycling control and optimization, which can be challenging because of their broad range of materials used for plasma-facing components (PFC) and wall conditioning techniques. The purpose of the EAST device is to demonstrate long-pulse, stable, high performance plasma operation, providing a test-bed for key physics and technology issues for next step devices. As part of these tests, EAST has deployed carbon for the lower divertor PFC, tungsten for the upper divertor, and molybdenum for the main wall. In addition wall coatings are deployed for long pulse recycling control: lithium (Li) via several delivery tools, boronization, and recently also siliconization; for example, in 2013, a layer of SiC was deposited on all of the graphite tiles. Oxygen is also present at trace levels, making for a complex mix of materials and plasma-materials interactions (PMI). This mix of materials and the limited durability of wall coatings, coupled to partially optimized cryo-pumping, lead to evolution of the recycling off the PFCs, which restricts the duration of stationary, high performance, long pulse discharges. Comparing the wall conditioning techniques, Li enables the highest energy confinement and lowest recycling for the longest duration, while also suppressing ELMs in certain discharges. More specifically, research activities at the University of Tennessee focused on heat flux profile measurements in EAST, modeling the surface response, including the bonding energetics and chemical interactions between Li with carbon, tungsten, hydrogen and impurities, in addition to post situ experimental characterization and analysis of the divertor plasma facing components in EAST. This final report describes the overall progress within each of these tasks at the University of Tennessee within the project.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Meteorological and Soil Data from Ecohydrology Sensor Towers at Pump House and Snodgrass Mountain in East River Watershed, Colorado, 2019-2025

This data package includes hourly meteorological and soil sensor data at eight ecohydrology monitoring sites in East River Watershed, Colorado as part of the Watershed Function Scientific Focus Area (WFSFA) research led by Lawrence Berkeley National Lab (LBNL). Four field sites were located on the hillslope of East River (ER) near Pump House (PH) at Mount Crested Butte (ER-PHS1 to 4), and the other four are in the Snodgrass Mountain (SG) area (SG-EHS5 to 8). In terms of vegetation cover, three sites are in montane grasslands (ER-PHS1, ER-PHS2, and SG-EHS5), three are below evergreen conifer canopy (ER-PHS3, SG-EHS6, and SG-EHS7), and two are below deciduous aspen canopy (ER-PHS4 and SG-EHS8). The monitoring period began in October 2019 at the East River sites, in October 2020 at SG-EHS5 and SG-EHS6, and in October 2021 at SG-EHS7 and SG-EHS8. In September 2024, all four East River sites were fully retired. The four Snodgrass Mountain sites remain active. Each site is equipped with a comprehensive suite of meteorological sensors on a tripod and soil sensors that measure weather, energy fluxes, and soil variables. This data package includes measurements from ten different types of sensors and up to thirteen individual sensors per site, including (1) a weather station (measurement height ranges from 2.8~3.8 meters (m) above ground), (2) a quantum sensor for photosynthetic active radiation (PAR) (2.4~3.3m), (3) a net radiometer (1.7~2.1m), (4) an infrared radiometer (1.6~2.2m), (5) a sonic distance sensor (1.5~1.9m), (6) a soil carbon dioxide (CO2) flux chamber (0m), (7) a soil heat flux plate (-0.05m below ground), (8) a soil oxygen sensor (-0.3m), (9) a soil water potential sensor (-0.3m), and (10) soil water content sensors at 3~4 depths (-1.15 ~ -0.1m). A total of twenty-three variables is reported in this data package, including (1) atmospheric variables: air temperature (TA), atmospheric pressure (PA), vapor pressure (VP), and vapor pressure deficit (VPD), (2) precipitation variables: rain precipitation (P) and snow depth (D_SNOW), (3) energy fluxes variables: four-component net radiation (NETRAD) (shortwave/longwave incoming/outgoing radiation, SW_IN, SW_OUT, LW_IN, LW_OUT), photosynthetic photon flux density (PPFD), and soil heat flux (G), (4) soil variables: soil water content (SWC), soil water potential (SWP), soil temperature (TS), soil bulk electrical conductivity (COND_SOIL), and soil gaseous oxygen concentration (O2_SOIL), (5) wind variables: two-dimensional wind speed (WS), gust speed (WS_MAX), and wind direction (WD), and (6) surface variables: surface infrared temperature (T_CANOPY) and soil CO2 flux (CO2_SOIL). Please see the Methods section for data processing and QA/QC steps taken to generate the hourly datasets. The following files are included in this data package (notes on version: v{x}-{y}, where x is the metadata version, and y is the data version, when applicable): (1) “metadata_site_v{x}-{y}.csv” - a site metadata file that summarizes location information of all sites, including site ID, description, coordinates, timeframe, elevation, and vegetation cover, (2) “metadata_instrument_v{x}-{y}.csv” - an instrument metadata file that summarizes sensor information of all sites, including sensor manufacturer and model, measurement height, and sampling and averaging interval of all variables, (3) "data_{SITE_ID}_v{x}-{y}.csv" - eight data files that contain hourly data of each site indicated by {SITE_ID} in the filename, (4) “/figure/data_{SITE_ID}_v{x}-{y}.png" - eight figures that help visualize data of each site indicated by {SITE_ID} in the filename, (5) “/photo/*” - photos of each site indicated by {SITE_ID} in the filename, and (6) four file level metadata (flmd.csv) and data dictionary (*_dd.csv) files that summarize file, header, column, and variable information of all files. Notes: (1) Measurement height: Each variable name is followed by conventional positional qualifiers “H_V_R”, where H indicates the relative horizontal positions of that specific variable, V the vertical positions, and R the replicates. In this data package, only the vertical qualifier V varies, and V increases from the highest vertical position (V=1) to the lowest. Variables with the same qualifier are not necessarily measured by the same sensor, and the same variable with the same qualifier across different sites are not necessarily measured at the same height. Please refer to “metadata_instrument.csv” for the sensor information and measurement heights, and whether a variable is measured below the canopy. (2) Variable availability: Snow depth is not available at ER-PHS3 and SG-EHS7. SWC, soil temperature, and soil bulk EC at the deepest depth (<-1m) are not available at SG-EHS6 and SG-EHS7. The missing value code for numeric variables is -9999, except for SWP. For SWP, the missing value code is +9999, because SWP values are negative. (3) Sampling frequency: Please refer to “metadata_instrument.csv” for the increase of sampling frequency of some variables from 30-min to 1-min at ER-PHS1 to 4 in July 2020. (4) Sensors: While the methods of each sensor are not detailed, all sensors are commercially available, and their methods can be found in their manuals. Please refer to “metadata_instrument.csv” for the sensor manufacturer and model information. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Spatial Study 2022: Surface Water Samples, Cotton Strip Degradation, and Hydrologic Sensor Data across the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin. The dataset provides data and photos generated from sample collection during the same one-week period at 48 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. The contents include surface water geochemistry data; river substrate grain size photos; stream depth data; manual chamber open channel respiration data; and field metadata (including qualitative information on instream and river corridor characteristics). Grain size photos can be used to improve estimates of channel substrate D50 data. The dataset also includes tensile strength and photos from cotton strip field degradation experiments; five-week sensor time series temperature, dissolved oxygen, pressure, pH, specific conductance, chlorophyll A, and turbidity data; plots of the sensor data; and R scripts used to generate the plots. Samples collected during this study were labeled as “Second Spatial Study” or “SSS.” A subset of data from the SSS samples were published in the contiguous United States (CONUS)-Scale Model-Sample (CM) study data package available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689 that presents data from across the CONUS. SSS data published in the CM data package were not included in this data package. They include dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), total nitrogen (TN), grain size, aerobic sediment respiration, dissolved oxygen (DO), and temperature. Parent IDs and Site IDs are consistent between the SSS and CM data packages, and they can be mapped directly so data across packages can be used together. Additionally, sensor data from a similar 2021 spatial study can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1892052 and 2021 sample data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1898914. The 2021 spatial study had some sites in common with this 2022 spatial study. This dataset is comprised of three photo folders and one main data folder with six subfolders. The photo folders contain photographs and videos of cotton strip retrieval and sediment quadrats. The main data folder consists of (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) total suspended solids (TSS) data and cotton strip tensile strength data and averages; (5) field protocol; (6) readme; (7) methods codes; (8) international generic sample number (IGSN) mapping file; (9) sensor installation methods summary; (10) stream depth and averages; and (11) Ultrameter data and averages. The Sonar subfolder consists of Sonar time-series depth data and a processing script. The BarotrollAtm, DepthHOBO, MantaRiver, miniDOT, and miniDOTManualChamber subfolders contain time-series data, plots, and summary files. All files are .csv, .pdf, .txt, .R, .Rmd, .jpg, .jpeg, .AVI, .mp4, or .mov. The data package was originally published in April 2023. It was updated in August 2023 (v2; modified files) and September 2024 (v3; modified files). See the change history section in the readme for details. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effect of applied potential on metal surfaces: Surface energy, Wulff shape and charge distribution

Here we use grand canonical density functional theory to predict the surface energies, Wulff shapes, charge distributions and catalytically active sites of different metal surfaces under electrochemical conditions. We propose a method for computing surface energies from grand canonical density functional theory (GC-DFT) calculations of periodic slab models and use it to compute the surface energies of the facets of Pt, Cu, and Ag crystals to predict their Wulff shapes under electrochemical conditions. GC-DFT predicts that, for the pure metals studied, solvation only slightly affects the Wulff shape while applied potentials considerably affect the surface energies and corresponding Wulff shapes. We used Bader charge analysis of GC-DFT computed electron densities to investigate the effect of applied potential on the distribution of electron density over the atoms of the surfaces of Pt, Cu, Ag, and the 75–25 Ag-Pt and Au-Ni alloys. This analysis shows that, under an applied potential, the electron density is unevenly distributed over the surface atoms and that the charges of atoms more exposed to solvent are more sensitive to bias. Our results show that the most sensitive atom to bias can be used to identify the most favorable adsorption site and thus, the active sites of electrochemical reactions, which is computationally less demanding than calculating the adsorption energies on all possible adsorption sites.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carrier properties of Bi(111) grown on mica and Si(111)

A comparison is presented between properties of Bi(111) films grown by Stranski-Krastanov epitaxy on Si(111) 7 × 7 and by van der Waals epitaxy on mica substrates. Thin film morphologies and electronic transport properties of Bi(111) films of variable thickness are investigated for each growth method. Atomic force micrographs for Bi(111) films on mica reveal clearly defined triangular regions consisting of layered steps with height 0.4 nm, corresponding to the Bi(111) bilayer height. Variable-temperature electronic transport measurements show the existence of a quantum confinement-induced energy gap in the film interiors, resulting in a semimetal-to-semiconductor transition. Magnetotransport analysis in a three-carrier model including metallic electrons in surface states and electrons and holes in the films' interiors provides a detailed study of densities, mobilities, and mean-free paths of the three carrier types. Further, improved electronic transport properties are found in Bi(111) films of higher thickness on mica compared to on Si(111), a likely result of the largely strain-free van der Waals epitaxial growth.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum-Confined Lifshitz Transition on Weyl Semimetal T d -MoTe 2

Adsorption of alkali atoms onto material surfaces is widely utilized for controlling electronic properties and is particularly effective for two-dimensional materials. While tuning the chemical potential and band gap and creating quantum-confined states are well established for alkali adsorption on semiconductors, the effects on semimetallic systems remain largely elusive. Here, utilizing angle-resolved photoemission spectroscopy measurements and density functional theory calculations, we disclose the creation of two-dimensional electron gas and the quantum-confined Lifshitz transition at the surface of a Weyl semimetal T d -MoTe 2 by potassium adsorption. Electrons from potassium adatoms are shown to be transferred mainly to the lowest unoccupied band within the gapped part of the Brillouin zone, which, in turn, induces strong surface band bending and quantum confinement in the topmost layer. The quantum-confined topmost layer evolves from a semimetal to a strong metal with a Lifshitz transition departing substantially from the bulk band. The present finding and its underlying mechanism can be exploited for the creation of electronic heterojunctions in van der Waals semimetals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Observation of anisotropic Dirac cones in the topological material Ti 2 Te 2 P

Anisotropic bulk Dirac (or Weyl) cones in three-dimensional systems have recently gained intense research interest as they are examples of materials with tilted Dirac (or Weyl) cones indicating the violation of Lorentz invariance. In contrast, the studies on anisotropic surface Dirac cones in topological materials which contribute to anisotropic carrier mobility have been limited. By employing angle-resolved photoemission spectroscopy and first-principles calculations, we reveal the anisotropic surface Dirac dispersion in a tetradymite material Ti 2 Te 2 P on the (001) plane of the Brillouin zone. We observe quasielliptical Fermi pockets at the M ¯ point of the Brillouin zone forming the anisotropic surface Dirac cones. Our calculations of the Z 2 indices confirm that the system is topologically nontrivial with multiple topological phases in the same material. In addition, the observed nodal-line-like feature formed by bulk bands makes this system topologically rich.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Vegetation Warming Experiment: Environmental conditions, Utqiagvik (Barrow), Alaska, 2021

Environmental conditions measured in five warming chambers and paired ambient control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska from 19 June - 17 September, 2021. These data were recorded in support of the Zero Power Warming (ZPW) vegetation warming experiment, a series of single season vegetation warming treatments conducted over four years from 2017-2021 (no experiment in 2020). Air temperature and humidity, infrared surface (canopy) temperature, soil temperature, soil moisture, NDVI (normalized difference vegetation index), PRI (photochemical reflectance index), solar radiation and chamber venting were recorded in each chamber at 1 minute intervals. Ambient air temperature, humidity, solar radiation and uplooking PRI and NDVI were measured at a centrally located meteorology station. Vapor pressure deficit (VPD) was calculated and included in the final processed data products. Data has undergone full QA/QC and is presented as 1 minute data, and hourly and daily aggregate data products. This data package includes unprocessed raw data (*.dat files), processed data (*.csv) and metadata including a full description of sensors, calculations and processing (*.csv, *.pdf). See related NGEE-Arctic "Vegetation Warming Experiment" data packages for leaf-level gas exchange and other leaf trait data; chamber, plot and landscape phenocamera images; thaw depth, and GPS locations of chambers and ambient plots. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was 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↗
DOE OSTI2024

Vegetation Warming Experiment: Environmental Conditions, Utqiagvik (Barrow), Alaska, 2017

Environmental conditions measured in five warming chambers and paired ambient control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska from 22 June - 17 September, 2017. These data were recorded in support of the Zero Power Warming (ZPW) vegetation warming experiment, a series of single season vegetation warming treatments conducted over four years from 2017-2021 (no experiment in 2020). Air temperature and humidity, infrared surface (canopy) temperature, soil temperature, soil moisture, NDVI (normalized difference vegetation index), PRI (photochemical reflectance index), solar radiation and chamber venting were recorded in each chamber at 1 minute intervals. Ambient air temperature, humidity, solar radiation and uplooking PRI and NDVI were measured at a centrally located meteorology station. Vapor pressure deficit (VPD) was calculated and included in the final processed data products. Data has undergone full QA/QC and is presented as 1 minute data, and hourly and daily aggregate data products. This data package includes unprocessed raw data (*.dat files), processed data (*.csv) and metadata including a full description of sensors, calculations and processing (*.csv, *.pdf). See related NGEE-Arctic Vegetation Warming Experiment data packages for leaf-level gas exchange and other leaf trait data; chamber, plot and landscape phenocamera images; thaw depth, and GPS locations of chambers and ambient plots. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was 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↗
DOE OSTI2024

Vegetation Warming Experiment: Environmental conditions, Utqiagvik (Barrow), Alaska, 2019

Environmental conditions measured in five warming chambers and paired ambient control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska from 19 June – 25 September, 2019. These data were recorded in support of the Zero Power Warming (ZPW) vegetation warming experiment, a series of single season vegetation warming treatments conducted over four years from 2017–2021 (no experiment in 2020). Air temperature and humidity, infrared surface (canopy) temperature, soil temperature, soil moisture, NDVI (normalized difference vegetation index), PRI (photochemical reflectance index), solar radiation and chamber venting were recorded in each chamber at 1 minute intervals. Ambient air temperature, humidity, solar radiation and uplooking PRI and NDVI were measured at a centrally located meteorology station. Vapor pressure deficit (VPD) was calculated and included in the final processed data products. Data has undergone full QA/QC and is presented as 1 minute data, and hourly and daily aggregate data products. This data package includes unprocessed raw data (*.dat files), processed data (*.csv) and metadata including a full description of sensors, calculations and processing (*.csv, *.pdf). See related NGEE-Arctic "Vegetation Warming Experiment" data packages for leaf-level gas exchange and other leaf trait data; chamber, plot and landscape phenocamera images; thaw depth, and GPS locations of chambers and ambient plots.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) 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↗