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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Preliminary analysis of FCM fuel thermal-mechanical performance under normal and transient conditions

Fully ceramic microencapsulated (FCM) fuel is a candidate fuel form to replace commercial UO{sub 2} fuel rod in LWR to enhance fuel reliability under accident conditions. The FCM pellet consists of TRISO particles embedded inside the dense SiC matrix. This fuel design is more complex than conventional LWR fuel, which needs new fuel performance models or analysis tools to assist fuel design and concept evaluation. In this paper an attempt was made to develop a finite element method to analyze FCM fuel pellet thermal-mechanical performance. Three idealized cases of normal operation, power ramp, and LOCA were analyzed. The results showed that the temperature distribution and stress distribution of FCM pellet exhibited a strong non-uniformity. The irradiation strain and creep of buffer layer and PyC (pyrolytic carbon) layers had a strong effect on the mechanical performance of FCM pellet. The hoop stresses of SiC layers and SiC matrix increased significantly during the LOCA and varied with radial positions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Land management strategies for improving water quality in biomass production under changing climate

Here, the Corn Belt states are the largest corn-production areas in the United States because of their fertile land and ideal climate. This attribute is particularly important as the region also plays a key role in the production of bioenergy feedstock. In much of the nation, agricultural nutrients are a primary cause of water quality degradation. This study focuses on potential change in streamflow, sediment, nitrogen, and phosphorus due to climate change and land management practices in the South Fork Iowa River (SFIR) watershed, Iowa. Thirty-six projections from select Regional Climate Models (RCM) for Representative Concentration Pathways (RCP) 2.5, 4.5, and 8.5 were used to develop climate change scenarios for the SFIR watershed and incorporated into the Soil and Water Assessment Tool (SWAT). The watershed is covered primarily with annual crops (corn and soybeans). Three scenarios of land use change and conservation practices were further developed to examine their impacts on water quality under historical and modeled future climate. With cropland conversion to switchgrass, stover harvest, and best management practices (BMPs) (such as establishing riparian buffers and applying cover crops) significant reductions in nutrients were observed in the SFIR watershed under historical climate and future climate scenarios. Under historical climate, suspended sediment (SS), total nitrogen (N), and phosphorus (P) at the outlet point of the SFIR watershed could decrease by up to 56.7%, 32.0%, and 16.5%, respectively, compare with current land use when a portion of the cropland is converted to switchgrass and cover crop is in place. Climate change could cause an increase in 12.0% (SS), 4.7% (N), and 7.7% (P) from current land use. This increase could be mitigated through land management and practices by 53.6% (SS), 27.8 (N), and 7.0% (P). Climate change reduced crop yield. Nutrient and sediments loadings distributed heterogeneously across the watershed. Water footprint analysis further revealed changes in green water that are highly dependent on land management scenarios. The study highlights the versatile approaches in landscape management that are available to address climate change adaptation and acknowledged the complex nature of different perspectives in water sustainability. Further study involving implementing landscape design and management using long-term field to watershed water monitoring data is necessary to verify the findings and moving towards watershed specific regional programs for climate adaptation.

09 BIOMASS FUELS↗
DOE OSTI2016

A Synchronized Sensor Array for Remote Monitoring of Avian and Bat Interactions with Offshore Renewable Energy Facilities

Wind energy production in the U.S. is projected to increase to 35% of our nation’s energy by 2050. This substantial increase in the U.S. is only a portion of the global wind industry growth, as many countries strive to reduce greenhouse gas emissions. A major environmental concern and potential market barrier for expansion of wind energy is bird and bat mortality from impacts with turbine blades, towers, and nacelles. Carcass surveys are the standard protocol for quantifying mortality at onshore sites. This method is imperfect, however, due to survey frequency at remote sites, removal of carcasses by scavengers between surveys, searcher efficiency, and other biases as well as delays of days to weeks or more in obtaining information on collision events. Furthermore, carcass surveys are not feasible at offshore wind energy sites. Near-real-time detection and quantification of interaction rates is possible at both onshore and offshore wind facilities using an onboard, integrated sensor package with data transmitted to central processing centers. We developed and experimentally tested an array of sensors that continuously monitors for interactions (including impacts) of birds and bats with wind turbines. The synchronized array includes three sensor nodes: (1) vibration (accelerometers and contact microphones), (2) optical (visual and infrared spectrum cameras), and (3) bioacoustics (acoustic and ultrasonic microphones). Accelerometers and contact acoustic microphones are placed at the root of each blade to detect impact vibrations and sound waves propagating through the structure. On-board data processing algorithms using wavelet analysis detect impact signals exceeding background vibration. Stereo-visual and infrared cameras were placed on the nacelle to allow target tracking, distance, and size calculations. On-board image processing and target detection algorithms identify moving targets within the camera field of view. Bioacoustic recorders monitor vocalizations and echolocations to aid in identifying organisms involved in interactions. Data from all sensors are temporarily stored in ring (i.e., circular) buffers with a duration varying by sensor type. Detection of target presence or impact by any of the sensors can trigger the archiving of data from all buffers for transmission to a central data processing center for evaluation and post-processing. This mitigates the risk of “data mortgages” posed by continual recording and minimizes personnel time required to manually review event data. We first conducted individual component tests at laboratories and field sites in Corvallis and Newport, Oregon, and Seattle and Sequim, Washington. We conducted additional component tests on research wind turbines at the North American Wind Research and Training Center, Mesalands Community College (MCC; General Electric 1.5 MW turbine), New Mexico, and the National Wind Technology Center, National Renewable Energy Laboratory (NREL; Controls Advanced Research Turbines 3 [CART 3] 600 kW Westinghouse turbine), Colorado. We conducted fully integrated system tests at NREL in October 2014 and April 2015. We used only research wind turbines so that we could conduct controlled, experimentally generated impacts using empty and water-filled tennis balls shot from a compressed air cannon on the ground. The approx. 57-140 g tennis balls (depending on water content) were at the upper mass range for bats, but lower mass range for marine birds. Therefore, the ability to detect collisions of most seabirds is likely greater than our experiments demonstrate, but possibly lower for some bats depending on the background signal of a given turbine. Vibration data demonstrated that background signals of operating turbines varied markedly among the CART 3 under normal operation (greatest), GE (moderate), and CART 3 during idle rotation (generator not engaged; least). In total, we measured 63 experimental blade impacts on the two research turbines. Impaction detection was dependent on background signals, position of impact on the blade (a tip strike resulted in the strongest impact signal), and impact kinetics (velocity of ball and whether the ball struck the surface of the blade or the leading edge of the blade struck the ball). Overall detection percentage ranged from 100% for the “quietest” conditions (CART 3 idle rotation), down to 35% for the noisiest (CART 3 normal operation). Impact signals were detected from sensors on more than one blade (i.e., blades other than the blade struck) 50% - 75% of the time. Stereo imaging provided valuable metrics, but increased data processing and equipment cost. Given the cost of cameras with sufficient resolution for target identification, we suggest mounting cameras directly on the blades to continuously view the entire rotor swept area with the fewest number of cameras. Bioacoustic microphones provide taxonomic identification, as well as information on ambient noise levels. They also assist in identifying environmental conditions such as hail storms, high winds, thunder, lightning, etc., that may contribute to a collision or a false positive detection. We demonstrated a proof of concept for an integrated sensor array to detect and identify bird and bat collisions with wind turbines. The next phase of research and development for this system will miniaturize and integrate sensors from all three nodes into a single wireless package that can be attached directly to the blade. This next generation system would use all “smart” sensors capable of onboard data processing to drastically reduce data streams and processing time on a central computer. A provisional patent for the blade mounted system was submitted by Oregon State University and recorded by the U.S. Patent and Trademark Office (application no. 62313028). Eventually, technology and industry advances will allow this low cost monitoring system to be designed into materials during manufacturing so that all turbines could be monitored with either a subset or full suite of sensors. As standard equipment on all commercial turbines, the sensor suite would allow the industry to effectively monitor whether individual turbines were causing mortalities or not and under what circumstances. It would also provide real-time evaluation of mechanical and structural integrity of a turbine via vibration, image, and acoustic data streams, thereby permitting modifications in operation to limit environmental or mechanical damage.

17 WIND ENERGY↗
DOE OSTI2023

A Simple and Flexible Infusion Platform for Automated Native Mass Spectrometry Analysis

High throughput native mass spectrometry analysis of proteins and protein complexes has been enabled by recent development of infusion and liquid chromatography (LC) systems, which often include complete LC pumps without fully utilizing their gradient flows. We demonstrated a lower-cost infusion cart for native mass spectrometry applications using a single isocratic solvent pump that can operate at both nano- and high-flow configurations (0.05-150 $μ$L/min) for both infusion and online buffer exchange experiments. In conclusion, the platform is controlled via open-source software and can potentially be expanded for customized experimental designs, offering a lower cost alternative to laboratories with limited budgets and/or needs in student training.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Hardware functional obfuscation with ferroelectric active interconnects

Existing circuit camouflaging techniques to prevent reverse engineering increase circuit-complexity with significant area, energy, and delay penalty. In this paper, we propose an efficient hardware encryption technique with minimal complexity and overheads based on ferroelectric field-effect transistor (FeFET) active interconnects. By utilizing the threshold voltage programmability of the FeFETs, run-time reconfigurable inverter-buffer logic, utilizing two FeFETs and an inverter, is enabled. Judicious placement of the proposed logic makes it act as a hardware encryption key and enable encoding and decoding of the functional output without affecting the critical path timing delay. Additionally, a peripheral programming scheme for reconfigurable logic by reusing the existing scan chain logic is proposed, obviating the need for specialized programming logic and circuitry for keybit distribution. Our analysis shows an average encryption probability of 97.43% with an increase of 2.24%/ 3.67% delay for the most critical path/ sum of 100 critical paths delay for ISCAS85 benchmarks.

42 ENGINEERING↗
DOE OSTI2023

Shared micromobility as a first- and last-mile transit solution? Spatiotemporal insights from a novel dataset

The first- and last-mile (FM/LM) problem is a major deterrent to public transit use. With the rise of shared micromobility options such as shared e-scooters in recent years, there is a growing interest in understanding their potential to serve as a last-mile transit solution. However, empirical data regarding the integrated use of shared micromobility and public transit have been limited so far. As a result, much is unknown regarding the spatiotemporal patterns and characteristics of shared micromobility trips serving as an FM/LM connection to transit. Here, this paper addresses these knowledge gaps by leveraging a novel dataset (i.e., the Spin post-ride survey dataset) that records thousands of transit-connecting shared e-scooter trips in Washington DC. Specifically, we used the dataset to reveal the spatiotemporal patterns of transit-connecting shared e-scooter trips in Washington DC, resulting in some major policy insights regarding the integral use of shared e-scooters and public transit. We further leveraged the dataset to validate if and to what extent a commonly applied buffer-zone approach can infer FM/LM micromobility trips accurately. Statistical tests showed that the actual FM/LM Spin e-scooter trips differ from inferred FM/LM Spin e-scooter trips in both spatial and temporal dimensions. This indicates that the common practice of inferring FM/LM micromobility trips with a buffer-zone approach can lead to inaccurate estimates of transit-connecting micromobility trips.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2015

Degradation mechanisms of Ti/Al/Ni/Au-based Ohmic contacts on AlGaN/GaN HEMTs

We investigated the degradation mechanism of Ti/Al/Ni/Au-based Ohmic metallization on AlGaN/GaN high electron mobility transistors upon exposure to buffer oxide etchant (BOE). The major effect of BOE on the Ohmic metal was an increase of sheet resistance from 2.89 to 3.69 Ω/ₜafter 3 min BOE treatment. The alloyed Ohmic metallization consisted 3–5 μm Ni-Al alloy islands surrounded by Au-Al alloy-rings. The morphology of both the islands and ring areas became flatter after BOE etching. Lastly, we used energy dispersive x-ray analysis and Auger electron microscopy to analyze the compositions and metal distributions in the metal alloys prior to and after BOE exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Irradiation performance of AGR-1 high temperature reactor fuel

The AGR-1 experiment contained 72 low-enriched uranium oxide/uranium carbide TRISO coated particle fuel compacts in six capsules irradiated to burnups of 11.2 to 19.6% FIMA, with zero TRISO coating failures detected during the irradiation. The irradiation performance of the fuel including the extent of fission product release and the evolution of kernel and coating microstructures was evaluated based on detailed examination of the irradiation capsules, the fuel compacts, and individual particles. Fractional release of 110m Ag from the fuel compacts was often significant, with capsule-average values ranging from 0.01 to 0.38. Analysis of silver release from individual compacts indicated that it was primarily dependent on fuel temperature history. Europium and strontium were released in small amounts through intact coatings, but were found to be significantly retained in the outer pyrocarbon and compact matrix. The capsule-average fractional release from the compacts was 1 × 10 –4 to 5 × 10 –4 for 154 Eu and 8 × 10 –7 to 3 × 10 –5 for 90 Sr. The average 134 Cs fractional release from compacts was <3 × 10 –6 when all particles maintained intact SiC. An estimated four particles out of 2.98 × 10 5 in the experiment experienced partial cesium release due to SiC failure during the irradiation, driving 134 Cs fractional release in two capsules to approximately 10 –5 . Identification and characterization of these particles has provided unprecedented insight into the nature and causes of SiC coating failure in high-quality TRISO fuel. In general, changes in coating morphology were found to be dominated by the behavior of the buffer and inner pyrolytic carbon (IPyC), and infrequently observed SiC layer damage was usually related to cracks in the IPyC. Palladium attack of the SiC layer was relatively minor, except for the particles that released cesium during irradiation, where SiC corrosion was found adjacent to IPyC cracks. In conclusion, palladium, silver, and uranium were found in the SiC layer of irradiated particles, and characterization of these elements within the SiC microstructure is the subject of ongoing focused study.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Experimental Analysis of File Transfer Rates over Wide-Area Dedicated Connections

File transfers over dedicated connections, supported by large parallel file systems, have become increasingly important in high-performance computing and big data workflows. It remains a challenge to achieve peak rates for such transfers due to the complexities of file I/O, host, and network transport subsystems, and equally importantly, their interactions. We present extensive measurements of disk-to-disk file transfers using Lustre and XFS file systems mounted on multi-core servers over a suite of 10 Gbps emulated connections with 0-366 ms round trip times. Our results indicate that large buffer sizes and many parallel flows do not always guarantee high transfer rates. Furthermore, large variations in the measured rates necessitate repeated measurements to ensure confidence in inferences based on them. We propose a new method to efficiently identify the optimal joint file I/O and network transport parameters using a small number of measurements. We show that for XFS and Lustre with direct I/O, this method identifies configurations achieving 97% of the peak transfer rate while probing only 12% of the parameter space.

Rao, Nageswara S.↗
DOE OSTI2015

Reduced interface recombination in Cu{sub 2}ZnSnS{sub 4} solar cells with atomic layer deposition Zn{sub 1−x}Sn{sub x}O{sub y} buffer layers

Cu{sub 2}ZnSnS{sub 4} (CZTS) solar cells typically include a CdS buffer layer in between the CZTS and ZnO front contact. For sulfide CZTS, with a bandgap around 1.5 eV, the band alignment between CZTS and CdS is not ideal (“cliff-like”), which enhances interface recombination. In this work, we show how a Zn{sub 1−x}Sn{sub x}O{sub y} (ZTO) buffer layer can replace CdS, resulting in improved open circuit voltages (V{sub oc}) for CZTS devices. The ZTO is deposited by atomic layer deposition (ALD), with a process previously developed for Cu(In,Ga)Se{sub 2} solar cells. By varying the ALD process temperature, the position of the conduction band minimum of the ZTO is varied in relation to that of CZTS. A ZTO process at 95 °C is found to give higher V{sub oc} and efficiency as compared with the CdS reference devices. For a ZTO process at 120 °C, where the conduction band alignment is expected to be the same as for CdS, the V{sub oc} and efficiency is similar to the CdS reference. Further increase in conduction band minimum by lowering the deposition temperature to 80 °C shows blocking of forward current and reduced fill factor, consistent with barrier formation at the junction. Temperature-dependent current voltage analysis gives an activation energy for recombination of 1.36 eV for the best ZTO device compared with 0.98 eV for CdS. We argue that the V{sub oc} of the best ZTO devices is limited by bulk recombination, in agreement with a room temperature photoluminescence peak at around 1.3 eV for both devices, while the CdS device is limited by interface recombination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Anti-P2 structured Na0.5NbO2 and its negative strain effect

Layer-structured oxides are studied for their essential roles in various applications (e.g. high-energy batteries and superconductors) due to their distinctive physical structures and chemical properties. Most of the layered AxMO2 (A = alkali ions, M = transition metals) are composed of MO6 octahedra and various A coordination polyhedra such as octahedra (O), tetrahedra (T) or trigonal prisms (P). Herein, we report a new layered oxide material, anti-P2 Na0.5NbO2, which is composed of NbO6 trigonal prisms and NaO6 octahedra. Its lattice shrinks as sodium (Na) ions are intercalated in it and expands when the ions are deintercalated (a negative volume or strain effect). Analysis by X-ray absorption spectroscopy and density functional theory (DFT) calculations indicates that the negative volume effect is mainly a result of the enhanced interlayer (Na–O) interaction and the weakened Nb– Nb and Nb–O bonding in the O–Nb–O slab upon Na intercalation. Moreover, Na0.5NbO2 exhibits high structural stability, a long cycle life and prominent rate performance for Na-ion batteries. These distinctive features make Na0.5NbO2 an ideal ‘‘volume buffer’’ to compensate for positive-strain electrode materials. These findings will arouse great interest in anti-P2 layered oxides for materials science and applications, and enrich the understanding of novel negative-strain materials for energy storage either as excellent independent active electrode materials or as volume buffers for constructing long-life composite electrodes made of positive-strain materials.

Wang, Xuefeng↗
DOE OSTI2018

Chemical Sensor Development and Antibacterial Activities Based on Polyaniline/Gemini Surfactants for Environmental Safety

The polyaniline doped novel anionic gemini surfactant (PANI/GS) was chemically synthesized by a micellar polymerization process and then characterized in details by X-ray powder diffractometry, scanning electron microscopy, and FTIR spectroscopy. The results show the presence of polyaniline in the emeraldine base was formed by doping with gemini surfactant. The thermal properties of the composites were studied by carrying out thermal gravimetric analysis. The PANI/GS were found to be soluble in common organic solvents such as chloroform as well as DMSO. The antibacterial activity of the obtained PANI/GS was also evaluated against Gram positive bacteria Bacillus subtilis, Gram negative bacteria Escherichia coli and antibiotics (Amoxicillin) using the agar plate. The antibacterial study showed that the PANI/GS was found to be most effective against both B. subtilis and E. coli respectively which was significant compared to the amoxicillin. Beside that thin-layer of PANI/GS onto glassy carbon electrode (GCE) was fabricated with conducting 5% nafion coating agents to fabricate a sensitive and selective Cd{sup 2+} ionsic sensor in short response time into the phosphate buffer phase. The fabricated cationic-sensor was exhibited higher sensitivity, large-dynamic concentration ranges, long-term stability, and improved electrochemical performances towards Cd{sup 2+} ions. The calibration plot is linear (r{sup 2}, 0.9799) over the large Cd{sup 2+} concentration ranges (10.0 nM–1.0 mM). The sensitivity and detection limit is calculated as 2.324 µA µM{sup −1}cm{sup −2} and 6.85 nM (signal-to-noise ratio, at a SNR of 3) respectively. These novel efforts are intiated a well-known method for significant cationic sensor development with directly fabricated nanocomposite onto GCE for the detection of hazardous toxins in ecological and environmental fields in huge scales. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Assessing Metal Ion Assignment Accuracy in Protein Data Bank Models via Elemental Spectroscopy

Accurate representation of metal ions in macromolecular structures is critical for chemical interpretation, computational modeling, and machine-learning methods that rely on Protein Data Bank (PDB) entries. However, the elemental identity of metals modeled in crystallographic structures is often inferred indirectly and rarely validated experimentally. Here, we combine Particle Induced X-ray Emission (PIXE) and X-ray Fluorescence Spectroscopy (XRFS) to determine the elemental composition of protein samples used to generate 70 deposited metalloprotein crystal structures. By analyzing the original protein material employed for crystallization, but before the addition of crystallization buffer solutions, we assess whether the modeled metal ions in deposited structures are consistent with experimentally detectable elemental content. We find that in a majority of cases, the metals modeled in the corresponding PDB entries are inconsistent with the metals present in the protein samples before crystallization, or that additional metals are present but not represented in the structural models. Spectroscopic results were integrated with automated crystallographic validation metrics, including real-space Z-difference (RSZD) analysis and systematic rerefinement, to evaluate atomic-number mismatch at metal sites. PIXE and XRFS show strong agreement for dominant elemental signals and provide complementary, scalable approaches for identifying suspect metal assignments. This work does not address physiological or functional metalation but instead highlights a widespread data integrity issue in deposited macromolecular structures, PDB-wide. These results establish an experimentally corroborated link between elemental identity and crystallographic validation metrics, enabling the large-scale detection of chemically inconsistent annotations in structural databases used for computational modeling and machine learning.

Crystallization↗
DOE OSTI2018

How does biochar influence soil N cycle? A meta-analysis

Modern agriculture is driving the release of excessive amounts of reactive nitrogen (N) from the soils to the environment, thereby threatening ecological balances and functions. The amendment of soils with biochar has been suggested as a promising solution to regulate the soil N cycle and reduce N effluxes. However, a comprehensive and quantitative understanding of biochar impacts on soil N cycle remains elusive. A meta-analysis was conducted to assess the influence of biochar on different variables involved in soil N cycle using data compiled across 208 peer-reviewed studies. On average, biochar beneficially increases symbiotic biological N2 fixation (63%), improves plant N uptake (11%), reduces soil N2O emissions (32%), and decreases soil N leaching (26%), but it poses a risk of increased soil NH3 volatilization (19%). Biochar-induced increase in soil NH3 volatilization commonly occurs in studies with soils of low buffering capacity (soil pH = 5, organic carbon = 10 g/kg, or clay texture), the application of high alkaline biochar (straw- or manure-derived biochar), or biochar at high application rate (>40 t/ha). Besides, if the pyrolytic syngas is not purified, the biochar production process may be a potential source of N2O and NOx emissions which correspond to 2–4% and 3–24% of the feedstock-N, respectively. This study suggests that to make biochar beneficial for decreasing soil N effluxes, clean advanced pyrolysis technique and adapted use of biochar are of great importance.

biochar, nitrogen cycle, soil, nitrous oxide, ammo↗
DOE OSTI2019

Formation of Pseudomonas aeruginosa Biofilms in Full-thickness Scald Burn Wounds in Rats

Using Sprague-Dawley rats (350–450 g; n = 61) and the recently updated Walker-Mason rat scald burn model, we demonstrated that Pseudomonas aeruginosa readily formed biofilms within full-thickness burn wounds. Following the burn, wounds were surface-inoculated with P. aeruginosa in phosphate-buffered saline (PBS), while sterile PBS was used for controls. On post-burn days 1, 3, 7, and 11, animals were euthanized and samples collected for quantitative bacteriology, bacterial gene expression, complete blood cell counts, histology, and myeloperoxidase activity. Robust biofilm infections developed in the full-thickness burn wounds inoculated with 1 × 10 4 CFU of P. aeruginosa . Both histology and scanning electron microscopy showed the pathogen throughout the histologic cross-sections of burned skin. Quantigene analysis revealed significant upregulation of alginate and pellicle biofilm matrix genes of P. aeruginosa within the burn eschar. Additionally, expression of P. aeruginosa proteases and siderophores increased significantly in the burn wound environment. Interestingly, the host’s neutrophil response to the pathogen was not elevated in either the eschar or circulating blood when compared to the control burn. This new full-thickness burn biofilm infection model will be used to test new anti-biofilm therapies that may be deployed with soldiers in combat for immediate use at the site of burn injury on the battlefield.

Science & Technology - Other Topics↗
DOE OSTI2017

Analysis of macroparticle charge screening in a nonequilibrium plasma based on the kinetic collisional point sink model

The screening of macroparticles in a nonequilibrium plasma is considered on the basis of the Vlasov kinetic equations supplemented with the collisional term in the Bhatnagar–Gross–Krook approximation and the point sink method. In this method, the absorption of electrons and ions by a macroparticle is described by introducing effective point sinks into the kinetic equations for plasma electrons and ions. Explicit expressions are derived for the potential distribution around a macroparticle and effective charges that determine the behavior of the potential at large distances taking into account collisions of electrons and ions with neutral buffer gas atoms. We consider the cases of a constant collision frequency and constant mean free paths of electrons and ions in the buffer gas. Numerical calculations are performed for dusty isothermal and nonisothermal plasmas in helium, neon, argon, krypton, and xenon at pressures of 10{sup –1} to 10{sup 4} Pa, which are typical of experiments with dusty plasmas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Degeneracy in Intercalated Pb Phases under Buffer-Layer Graphene on SiC(0001) and Diffuse Moiré Spots in Surface Diffraction

First-principles density functional theory (DFT) is used to analyze the stability of Pb intercalated phases under buffer layer graphene on SiC(0001) as a function of the supercell size, Pb coverage, and degree of Pb ordering. By comparing the chemical potentials of such two-dimensional Pb structures, here we find that there is a family of structurally distinct thermodynamically preferred Pb subsurface configurations with minute stability differences. These differences are comparable to the thermal energies at about 450 °C, where the Pb intercalated phases are grown. High-resolution surface-diffraction experiments using Spot Profile Analysis Low-Energy Electron Diffraction (SPA-LEED) confirm this high degree of degeneracy of the Pb intercalated phases from broad, low-intensity moiré spots observed exclusively from intercalated Pb. The low intensity of the moiré spots implies the coexistence of structurally different subsurface Pb phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗