Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “surface level”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,297 records · Page 72

A nitride-based epitaxial surface layer formed by ammonia treatment of silicene-terminated ZrB{sub 2}

We present a method for the formation of an epitaxial surface layer involving B, N, and Si atoms on a ZrB{sub 2}(0001) thin film on Si(111). It has the potential to be an insulating growth template for 2D semiconductors. The chemical reaction of NH{sub 3} molecules with the silicene-terminated ZrB{sub 2} surface was characterized by synchrotron-based, high-resolution core-level photoelectron spectroscopy and low-energy electron diffraction. In particular, the dissociative chemisorption of NH{sub 3} at 400 °C leads to surface nitridation, and subsequent annealing up to 830 °C results in a solid phase reaction with the ZrB{sub 2} subsurface layers. In this way, a new nitride-based epitaxial surface layer is formed with hexagonal symmetry and a single in-plane crystal orientation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing the Complexities of Structural Changes in Layered Oxide Cathode Materials for Li-Ion Batteries during Fast Charge–Discharge Cycling and Heating

The rechargeable lithium-ion battery (LIB) is the most promising energy storage system to power electric vehicles with high energy density and long cycling life. However, in order to meet customers’ demands for fast charging, the power performances of current LIBs need to be improved. From the cathode aspect, layer-structured cathode materials are widely used in today’s market and will continue to play important roles in the near future. The high rate capability of layered cathode materials during charging and discharging is critical to the power performance of the whole cell and the thermal stability is closely related to the safety issues. Therefore, the in-depth understanding of structural changes of layered cathode materials during high rate charging/discharging and the thermal stability during heating are essential in developing new materials and improving current materials. Since structural changes take place from the atomic level to the whole electrode level, combination of characterization techniques covering multilength scales is quite important. Finally, in many cases, this means using comprehensive tools involving diffraction, spectroscopy, and imaging to differentiate the surface from the bulk and to obtain structural/chemical information with different levels of spatial resolution.

25 ENERGY STORAGE↗

Coulomb Electron Interaction between an Adsorbate and Substrate: a Model of a Surface Dimer

The Coulomb interaction in the adsorption (adsorbate—substrate) system is reduced to a short-range repulsion between electrons of the adsorbed particle and atom of the substrate, which form a surface dimer. It is shown that allowance for this interaction leads to increased charge transfer between components of the dimer and decreased charge transfer between the dimer and metal substrate, which is caused by variation of the Fermi level in the adsorption system.

74 ATOMIC AND MOLECULAR PHYSICS↗

Ice Cryo-Encapsulation Balloon (Project ICEBall) Field Campaign Report

The Ice Cryo-Encapsulation Balloon (ICEBall) field campaign was designed to sample the ice crystals that compose high-altitude cirrus with a passive device. The campaign made use of a new instrument, ICEBall, which is a balloon-borne ice crystal sampling system. The ice crystal sounding system is capable of measuring ice crystal concentration, temperature, atmospheric pressure, ice crystal habit, aerosol particle morphology, and residual composition. The 3-kg instrument is carried upwards at 5 m s-1 by a high-altitude balloon. The instrument can be cut down from the balloon at any altitude up to 20 km, and the apparatus returns to the surface by parachute. Basic measurements such as temperature and pressure are recorded onboard, and high-frequency Global Positioning System (GPS) records altitude and latitude/longitude. Ice crystal concentrations are measured through the use of a high-resolution video camera mounted on the device. Ice crystals are collected through an open aperture leading to insulated collection chambers cooled with dry ice. Upon exiting the top of the cloud system, the chamber aperture is closed, and the ~1 mm3 sample cell is magnetically sealed and isolated at -78 °C, ensuring that ice particles do not sublimate or grow after collection. Once the crystals are returned to the surface, they are double-sealed and immersed at liquid nitrogen temperature in “dry-cryo shippers” before being transported back to the laboratory. Dr. Magee’s laboratory at The College of New Jersey contains a cryo-stage scanning electron microscope (SEM), which was used to interrogate the crystals and aerosol particles. The main purpose of this pilot field campaign was to provide an unprecedented level of detail on the crystal habits and ice surface complexity in mid-latitude cirrus, which may help resolve issues associated with habit identification and classification in cirrus. The ICEBall campaign was originally scheduled to run from March 28 to April 18 of 2021 at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Southern Great Plains observatory. The COVID-19 pandemic intervened and caused us to shift the dates of the experiment to October 16-November 6 of 2021. This period is also climatologically favorable for cirrus. The approximately six-month gap between our original field campaign dates and the actual dates afforded us the opportunity to build two new ICEBall payload instruments. These instruments were tested during an August 2021 trip to The College of New Jersey. During this field testing phase, we decided to launch the ICEBall payload upstream from the ARM SGP site with the goal of landing in the vicinity of the site. Our goal was to sample the ice crystals before the cirrus were advected over the remote-sensing instruments at the SGP site. The team assembled for the field campaign consisted of the Principle Investigator (PI) and Co-Principle Investigator (Co-PI) (Drs. Harrington and Magee), The Pennsylvania State University research scientist Dr. Alfred Moyle, and two graduate students (Ms. Marley Majetic and Gwenore Pokrifka). The team operated out of a house rented in Enid, Oklahoma. We successfully sampled seven cirrus cloud systems during the three-week field campaign (October 21, 23-26, 31, and November 1). This was a much higher success rate than either of the PIs anticipated (our goal was closer to sampling three or four cases). The balloon was typically launched from oil pads or farm fields northwest of Enid and the payload was typically retrieved somewhat north of the SGP site. We never landed directly at the SGP site, and so did not need regular access to the SGP facilities. Our greatest concern going into the field campaign was the longer-term storage of crystals in the -196°C cryo dry-shipper dewars and the subsequent transport across the country. We had tested storage and transport prior to the field campaign, but we had never stored crystals for a few weeks nor had we transported the dewars over long distances. To our great relief, the storage and transport worked flawlessly and we were able to image a large number of crystals from six of the seven cases. Working with the staff at the ARM SGP office was excellent. They not only helped us find the sources we needed for helium, liquid nitrogen, and other materials, but also helped with contacts within the Federal Aviation Administration (FAA) and Vance Air Force Base. One goal of our field project was to tie the in situ measurements of ice crystal habits to the radar signatures derived from the Ka-band ARM Zenith-pointing Radar (KAZR). Unfortunately KAZR was down for the duration of our experiment. However, the Ka-band Scanning ARM Cloud Radar (KASACR) was put into vertically pointing mode during the ICEBall campaign and those data, along with Doppler lidar measurements, have proved very useful.

54 ENVIRONMENTAL SCIENCES↗

Trace Levels of Copper in Carbon Materials Show Significant Electrochemical CO 2 Reduction Activity

Carbon materials are frequently used as supports for electrocatalysts because they are conductive and have high surface area. However, recent studies have shown that these materials can contain significant levels of metallic impurities that can dramatically alter their electrochemical properties. Here, the electrocatalytic activity of pure graphite (PG), graphene oxide (GO), and carbon nanotubes (CNT) dispersed on glassy carbon (GC) are investigated for the electrochemical CO 2 reduction reaction (CO 2 RR) in aqueous solution. It was observed that GO and CNT dispersed on GC all exhibit significant electrochemical activity that can be ascribed to impurities of Ni, Fe, Mn, and Cu. The level of Cu in GO can be particularly high and is the cause for the appearance of methane in the products produced over this material when it is used for the CO 2 RR. Washing these supports in ultrapure nitric acid is effective in removing the metal impurities and results in a reduction in the electrochemical activity of these forms of carbon. In particular, for GO, nearly all of the catalytically relevant metals can be removed. Electrochemical deposition of Cu on GO and PG supported on GC, and on GC itself, increased both the electrochemical activity of these materials and the production of methane via the CO 2 RR. Particularly high rates of methane formation per unit of Cu mass were obtained for Cu electrodeposited on GO and PG supported on GC. We suggest that this high activity may be due to the preferential deposition of Cu onto defects present in the graphene sheets comprising these materials.

36 MATERIALS SCIENCE↗

Investigation of dry-etch-induced defects in >600 V regrown, vertical, GaN, p-n diodes using deep-level optical spectroscopy

The effect of dry-etch-induced defects on the electrical performance of regrown, c-plane, GaN p-n diodes where the p-GaN layer is formed by epitaxial regrowth using metal-organic, chemical-vapor deposition was investigated. Diode leakage increased greatly for etched-and-regrown diodes compared to continuously grown diodes, suggesting a defect-mediated leakage mechanism. Deep level optical spectroscopy (DLOS) methods were used to identify energy levels and densities of defect states to understand etch-induced damage in regrown devices. DLOS results showed the creation of an emergent, mid-gap defect state at 1.90 eV below the conduction band edge for etched-and-regrown diodes. Reduction in both the reverse leakage and the concentration of the 1.90 eV mid-gap state was achieved using a wet chemical treatment on the etched surface before regrowth, suggesting that the 1.90 eV deep level contributes to increased leakage and premature breakdown but can be mitigated with proper post-etch treatments to achieve >600 V reverse breakdown operation.

42 ENGINEERING↗

NEON AOP Survey of Upper East River CO Watersheds: LAZ Files, LiDAR Surface Elevation, Terrain Elevation, and Canopy Height Rasters

Lawrence Berkeley National Laboratory (LBNL) contracted the National Ecological Observatory Network Airborne Observation Platform (NEON AOP) to observe watersheds of interest surrounding Crested Butte, CO with remotely sensed data, including LiDAR. The flight box design encompassed the watersheds, surveying a total area of 334 km2 across 72 lines. The instrument used was an Optech Gemini, with a pulse density of 2-9 pulses m-2 across the study area (see final report document for detailed information (Goulden and Musinsky 2020). These LiDAR data are the primary data that were provided by NEON, and include both LiDAR source data and derived surface products. The source data are contained in 'crbu_laz.zip' and 'classified_point_cloud.zip. 'classified_point_cloud.zip' represents an additional processing level on 'crbu_laz.zip'. The derived products are 'dsm_mosaic_min_phase_me.tif', 'dtm_mosaic_min_phase_me.tif', and 'tch_mosaic_min_phase_me.tif'. These files are raster mosaics of a digital surface elevation model (DSM), digital terrain elevation model (DTM), and a canopy height model (CHM) at 1 m resolution with a height threshold of > 2 m, respectively, in geotiff (.tif) format. 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. [UPDATE] On 06/26/2026 the files 'crbu_laz.zip' and 'classified_point_cloud.zip' were replaced with original output files from NEON to address zip file corruption and naming errors. No changes were made to the underlying data. (See Methods Step 2 for details).

2018 NEON and 2025 CHESS Campaigns↗

Colour centres and nanostructures on the surface of laser crystals

This paper presents a study of structural and radiationinduced colour centres in the bulk and ordered nanostructures on the surface of doped laser crystals: sapphire, yttrium aluminium garnet and strontium titanate. The influence of thermal annealing, ionising radiation and plasma exposure on the spectroscopic properties of high-purity materials and crystals containing Ti, V and Cr impurities is examined. Colour centres resulting from changes in the electronic state of impurities and plasma-induced surface modification of the crystals are studied by optical, EPR and X-ray spectroscopies, scanning electron microscopy and atomic force microscopy. X-ray line valence shift measurements are used to assess changes in the electronic state of some impurity and host ions in the bulk and on the surface of oxide crystals. Conditions are examined for the formation of one- and two-level arrays of ordered crystallites 10{sup -10} to 10{sup -7} m in size on the surface of crystals doped with irongroup and lanthanoid ions. The spectroscopic properties of the crystals are analysed using ab initio self-consistent field calculations for Me{sup n+} : [O{sup 2-}]{sub k} clusters. (interaction of laser radiation with matter. laser plasma)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Humidity-dependent compression-induced glass transition of the air–water interfacial Langmuir films of poly(D,L-lactic acid- ran -glycolic acid) (PLGA)

Constant rate compression isotherms of the air–water interfacial Langmuir films of poly(D,L-lactic acid- ran -glycolic acid) (PLGA)show a distinct feature of an exponential increase in surface pressure in the high surface polymer concentration regime. We have previously demonstrated that this abrupt increase in surface pressure is linked to the glass transition of the polymer film, but the detailed mechanism of this process is not understood. In order to obtain a molecular-level understanding of this behavior, we performed extensive characterizations of the surface mechanical, structural and rheological properties of Langmuir PLGA films at the air–water interface, using combined experimental techniques including the Langmuir film balance, X-ray reflectivity and double-wall-ring interfacial rheometry methods.

36 MATERIALS SCIENCE↗

Fabrication and Characterization of CNT‐Based Smart Tips for Synchrotron Assisted STM

Determination of chemical composition along with imaging at the atomic level provides critical information towards fundamental understanding of the surface of materials and, hence, yields the capability to design new materials by tailoring their ultimate functionalities. Synchrotron X‐ray assisted scanning tunneling microscopy (SX‐STM) is a promising new technique to achieve real space chemically specific atomic mapping. Chemical sensitivity of SX‐STM relies on excitation of core electrons by incident X‐rays when their energy is tuned to an absorption edge of a particular element. However, along with core‐level electrons, photoelectrons are also excited, which yield additional current and interfere with the tunneling current. To reduce the background photoelectron current and to improve ultimate resolution of SX‐STM, we have developed and fabricated multiwalled carbon nanotubes (MWCNT) based “smart tips” using plasma enhanced chemical vapor deposition and focused ion beam milling. The newly developed CNT‐based smart tips, characterized step by step by scanning electron microscopy (SEM) during the fabrication process, demonstrate good performance and provide opportunity for realizing atomic chemical mapping.

36 MATERIALS SCIENCE↗

TEMPEST3 surface runoff water chemistry and organic matter composition

Coastal flooding, driven by storm surges and sea level rise, can mobilize organic matter (OM) via runoff, while introducing compositionally distinct OM (e.g., estuarine OM) into the system. To understand event-scale OM dynamics, we monitored source waters and surface runoff during an ecosystem-scale field manipulation experiment, TEMPEST (Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatments), in June 2024. The TEMPEST experiment is part of the COMPASS-FME (Coastal Observations, Mechanisms, and Predictions Across Systems and Scales – Field, Measurements, and Experiments) project and designed to investigate biogeochemical and ecological impacts of freshwater and seawater flooding on coastal terrestrial-aquatic interface ecosystems by simulating freshwater and seawater storm events in two 2000m2 coastal upland forest plots (freshwater and brackish seawater plots). The temporal coverage of this dataset is during the TEMPESTⅢ event (June 11-13, 2024). This dataset contains: - Surface runoff discharge measured by flumes - Sensor data (specific conductivity, salinity, dissolved oxygen, and temperature) - Particle size distribution - Total suspended sediment concentrations (TSS), particulate and dissolved organic carbon (POC, DOC) concentrations, total nitrogen and total dissolved nitrogen (TN, TDN) concentrations - Bulk particulate and dissolved OM compositions (stable C and N isotopes of particulates and optical measurements of chromophoric dissolved OM) - High resolution mass spectrometry analysis data - Water isotope data All data files are plain-text CSV (comma-separated value), and no special software is required to read them.

COMPASS-FME↗

Applicability of Density Functional Theory in Reproducing Accurate Vibrational Spectra of Surface Bound Species

The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of 22.62 and 21.1% for the NAN stretching and RhAH stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the RhAH and NAN stretching modes from the bulk phonons and by solving one- and two-dimensional Schr€odinger equation associated with the RhAH, RhAN, and NAN potential energy we calculated the anharmonic correction for NAN and RhAH stretching modes as 231 cm21 and 277 cm21 at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments.

Environmental Molecular Sciences Laboratory↗

A low-cost and realistic noisy light system for studying photosynthesis

Unlike the light conditions commonly used to grow photosynthetic organisms in the research laboratory, the light intensity in real environments is dynamic. A simple and low-cost system is described in which a commercial dimmable LED panel is controlled to simulate a sinusoidal function representing daylight hours and overlaid with stochastic shading events. The output closely resembles light intensity measurements on Earth’s surface on partly cloudy days or in lower levels of plant canopies. Here, this tool may be useful to researchers studying photosynthetic acclimation responses.

59 BASIC BIOLOGICAL SCIENCES↗

Integrating Carbon Nanomaterials with Metals for Bio-sensing Applications

Age structure in most developed countries is changing fast as the average lifespan is increasing significantly, calling for solutions to provide improved treatments for age-related neurological diseases and disorders. In order to address these problems, a reliable way of recording information about neurotransmitters from in vitro and in vivo applications is needed to better understand neurological diseases and disorders as well as currently used treatments. Likewise, recent developments in medicine, especially with the opioid crisis, are demanding a swift move to personalized medicine to administer patient needs rather than population-wide averages. In order to enable the so-called personalized medicine, it is necessary to be able to do measurements in vivo and in real time. These actions require sensitive and selective detection of different analytes from very demanding environments. Current state-of-the-art materials are unable to provide sensitive and selective detection of neurotransmitters as well as the required time resolution needed for drug molecules at a reasonable cost. To meet these challenges, we have utilized different metals to grow carbon nanomaterials and applied them for sensing applications showing that there are clear differences in their electrochemical properties based on the selected catalyst metal. Additionally, we have combined atomistic simulations to support optimizing materials for experiments and to gain further understanding of the atomistic level reactions between different analytes and the sensor surface. With carbon nanostructures grown from Ni and Al + Co + Fe hybrid, we can detect dopamine, ascorbic acid, and uric acid simultaneously. On the other hand, nanostructures grown from platinum provide a feasible platform for detection of H 2 O 2 making them suitable candidates for enzymatic biosensors for detection of glutamate, for example. Tetrahedral amorphous carbon electrodes have an ability to detect morphine, paracetamol, tramadol, and O-desmethyltramadol. With carbon nanomaterial-based sensors, it is possible to reach metal-like properties in sensing applications using only a fraction of the metal as seed for the material growth. We have also seen that by using nanodiamonds as growth catalyst for carbon nanofibers, it is not possible to detect dopamine and ascorbic acid simultaneously, although the morphology of the resulting nanofibers is similar to the ones grown using Ni. This further indicates the importance of the metal selection for specific applications. However, Ni as a continuous layer or as separate islands does not provide adequate performance. Thus, it appears that metal nanoparticles combined with fiber-like morphology are needed for optimized sensor performance for neurotransmitter detection. This opens up a new research approach of application-specific nanomaterials, where carefully selected metals are integrated with carbon nanomaterials to match the needs of the sensing application in question.

59 BASIC BIOLOGICAL SCIENCES↗

Medium-independent hydrogen atom binding isotherms of nickel oxide electrodes

Adsorption and transfer of hydrogen atoms at solid/solution interfaces are fundamental to heterogeneous catalysis for chemical energy transformations and other processes. Reported here are electrochemical and spectroelectrochemical measurements of the thermodynamics of H-atom binding to nickel oxide electrodes, both the average and the distribution of NiO–H bond dissociation free energies (BDFEs). These are perhaps the first measurements of binding isotherms at non-metal electrodes. Remarkably, both the BDFEs and the non-Langmuirian isotherms are the same in water, acetonitrile, and dimethylformamide, and with different buffers and proton activities. Such medium independence of the BDFEs and isotherms has not been previously reported for any binary material. The medium independence supports the common use of computed hydrogen binding energies as intrinsic descriptors of surface reactivity, while the broadened isotherms add a level of complexity to such analyses. Furthermore, this work demonstrates the capability to derive key thermodynamic parameters at chemically reactive solid-liquid interfaces.

13 HYDRO ENERGY↗

A theoretical kinetic study of ĊH 3 + ṄH 2 : From electronic structure to NH 3 /CH 4 combustion modelling implications

Carbon–nitrogen interaction reactions play an important role in governing the reactivity of ammonia blended fuels. However, there remains uncertainties regarding their detailed reaction pathways and rate constants, hampering the development of high-fidelity chemical kinetic models. In this study, the kinetics of ĊH 3 + ṄH 2 , a key C–N interaction reaction in ammonia/methane blend combustion have been investigated. The potential energy surface has been explored using the high-level ANL0F method, yielding highly accurate stationary point energies that agree with ATcT values within 0.1 kcal mol –1 . Variable reaction coordinate transition state theory is used to treat the barrierless association and decomposition reaction channels, based on directly sampled radical-radical interaction energies at the CASPT2-F12(2e,2o)/cc-pVTZ-F12 level of theory. The minimum transitional mode numbers of states obtained are then coupled with the RRKM/master equation to calculate temperature- and pressure-dependent rate constants. Our a priori calculations capture available experimental measurements from the literature very well. The calculated rate constants have been incorporated into an NH 3 /CH 4 chemical kinetic model currently under development at the University of Galway. The effect of the updated kinetic data for ĊH 3 + ṄH 2 on model predicted NH 3 /CH 4 fuel reactivity is elucidated.

ab initio↗

Distributed renewable energy resource trust metrics and secure routing

To ensure reliable and predictable service in the electrical grid between distributed renewable distributed energy resources (DERs) it is important to gauge the level of trust present within critical components and DER aggregators (DERAs). Although trust throughout a smart grid is temporal and dynamically varies according to measured states, it is possible to accurately formulate communications and service level strategies based on such trust measurements. Utilizing an effective set of machine learning and statistical methods, it is shown that establishment of trust levels between DERAs using behavioral pattern analysis is possible. Further, it is also shown that the establishment of such trust can facilitate simple secure communications routing between DERAs. Providing secure routing between DERAs enables a grid operator to maintain service level agreements to its customers, reduce the attack surface and increase operational resiliency.

97 MATHEMATICS AND COMPUTING↗