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At least 127 records · Page 7

Plasma ammonia synthesis over mesoporous silica SBA-15

Herein we demonstrate the synthesis of ammonia via atmospheric DBD plasma discharge over silica. We evaluated the performance of three structural different silicas: non-porous silica, fumed-silica and mesoporous SBA-15 silica. The mesoporous SBA-15 sample resulted in an ammonia synthesis rate per gram of catalyst at least 3 times higher than that of the non-porous and fumed silica when employing a hydrogen rich gas feed. The hierarchical ordered pore size in the mesoporous range of SBA-15 allowed us to observe experimentally, the pore size effect in the plasma discharge. Specifically, the ammonia production is enhanced by the presence of mesopores that can effectively enable the discharge diffusion into the pore as predicted by theoretical calculations. The importance of the porous structure was confirmed by optical emission spectra which indicates a similarity on the relative intensity on the main plasma activated species in the gas phase such as N2+, NH and H_α for the three silicas employed in this work i.e., non-porous, fumed and mesoporous (SBA-15). Furthermore, the remarkable ammonia production when employing the SBA-15 shows that despite the similarities in the gas phase the main differences might be attributed to the diffusion of the plasma discharge into the pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The fastVFP code for solution of the Vlasov–Fokker–Planck equation

Abstract We describe the fast VFP code for solution of the Vlasov–Fokker–Planck equation for non-local electron transport and the generation of magnetic field, especially for application to laser-produced plasmas. We describe the essential features of the code that make it fast and robust and suitable for inclusion as a transport package in a fluid simulation. We present a few sample results that demonstrate the abilities of the code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Single crystal growth and thermoelectric properties of Nowotny chimney-ladder compound Fe 2 Ge 3

Fe 2 Ge 3 with an incommensurate Nowotny chimney-ladder (NCL) structure is a promising material for thermoelectric applications due to its low thermal conductivity. Previous experimental studies on Fe 2 Ge 3 have mainly focused on polycrystalline samples, resulting in a limited understanding of the material's intrinsic thermoelectric properties and the underlying causes of its low thermal conductivity. Here we report the synthesis and thermoelectric properties of single crystalline Fe 2 Ge 3 . Millimeter-sized Fe 2 Ge 3 single crystals grown by the chemical vapor transport method enable the study of the intrinsic thermoelectric properties. The Seebeck coefficient of Fe 2 Ge 3 is negative and its magnitude increases linearly with temperature, showing a degenerate n-type semiconductor behavior. Analysis of the electrical resistivity and specific heat data indicates the existence of an Einstein mode with a characteristic temperature of about 60 K, suggesting the presence of low-energy optical phonons. Further, the thermal conductivity of Fe 2 Ge 3 along the c axis is as low as 1.9Wm -1 K -1 at 300 K and exhibits a nearly temperature-independent characteristic, which is distinct from the previous theoretical calculations with a stronger temperature dependence. The low thermal conductivity may be attributed to the scattering of acoustic phonons by low-energy optical modes and the presence of non-extended diffuson modes, as reported in another NCL compound, MnSi 1.74 . This study provides valuable insights into the electrical and thermal properties of Fe 2 Ge 3 , which can open up possibilities for future advances in thermoelectric applications.

36 MATERIALS SCIENCE↗

An Introduction to the Federated Architecture for Secure and Transactive Distributed Energy Management Solutions (FAST-DERMS)

Deployment and capability of distributed energy resources (DER) in power systems is growing rapidly. These resources present an opportunity for low-cost provision of energy and grid services. The Federal Energy Regulatory Commission recently provided rulings to enable market participation of these distribution-connected resources, but the prevailing strategies for their management may not scale well to meet future needs. This paper introduces the Federated Architecture for Secure and Transactive Distributed Energy Management Solutions (FAST-DERMS) which was designed to address this need. In it we describe the architectural features of the approach, and a reference controls implementation employing a hierarchical coordination that includes stochastic optimization, model predictive control, and a simple real-time management scheme. Sample results from simulation show firm transmission-level service provision measured at the distribution substation.

grid architecture↗

Evaluating Interconnection Queue Impacts Using Hosting Capacity Analysis

The interconnection queue has been identified as a bottleneck in the efforts to shift the nations generation resources towards renewable sources and meet various state and federal goals. Efforts such as the interconnection innovation e-Xchange (i2X) are therefore trying to come up with ways in which the queue could be altered to make interconnection faster, cheaper, and fairer. This paper proposes using hosting capacity analysis methods to simulate the evolution of a power system as new resources are added. Modeling the interconnection process in this way enables simulation based study of various policy decisions for queue management and cost allocation. Sample results are presented to illustrate how some queue modifications might play out both in distribution and transmission systems.

Distributed Energy Resources, Interconnection↗

Influence of Data Acquisition Algorithms on X-ray Phase Contrast Imaging Computed Tomography

X-ray phase contrast imaging (XPCI) is a non-destructive evaluation technique that enables high-contrast detection of low-attenuation materials that are largely transparent in traditional radiography. Extending a grating based Talbot-Lau XPCI system to three- dimensional imaging with computed tomography (CT) imposes two motion requirements: the analyzer grating must translate transverse to the optical axis to capture image sets for XPCI reconstruction, and the sample must rotate to capture angular data for CT reconstruction. The acquisition algorithm choice determines the order of movement and positioning of the two stages. The choice of image acquisition algorithm for XPCI CT is instrumental to collecting high fidelity data for reconstruction. We investigate how data acquisition influences XPCI CT by comparing two simple data acquisition algorithms and determine that capturing a full phase-stepping image set for a CT projection before rotating the sample results in higher quality data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Melt-grown semi-insulating Mn:β-Ga 2 O 3 single crystals exhibiting unique visible absorptions and luminescence

In this study, several acceptor dopants have been explored in β-Ga 2 O 3 to produce semi-insulating substrates and epitaxial films. Fe and Mg make up the majority of research thus far; however, other transition metals provide potential alternatives for optimized performance. β-Ga 2 O 3 bulk single crystals were grown by the Czochralski and vertical gradient freeze methods with a nominal dopant concentration of 0.25 at. % Mn. Ultraviolet-visible-near infrared spectroscopy and photoluminescence revealed polarization- and orientation-dependent optical absorptions (pleochroism) coupled with an orange luminescence. All samples were electrically insulating, on the order of 10 9 –10 11 ohm cm at room temperature, indicative of acceptor doping. Actual dopant concentrations of the intentionally doped transition metal and background impurities were determined via glow discharge mass spectrometry, indicating the macroscale segregation behavior. High-temperature resistivity measurements indicated an experimental acceptor level of 1.7 ± 0.2 eV. Hydrogenation of samples resulted in an increase in the orange luminescence and O–H stretching modes observable in the infrared spectrum. Density functional theory calculations were performed to determine the likely site-occupancy and acceptor level of Mn in the bandgap.

36 MATERIALS SCIENCE↗

Hybridization capture sequencing for Vibrio spp. and associated virulence factors

ABSTRACT Proliferation ofVibriospp. in aquatic ecosystems is associated with climate change and, concomitantly, increased incidence of vibriosis. They are autochthonous to aquatic environments globally, but traditional metagenomic methods for detecting and typing pathogenicVibriospp. are challenged by their presence in relatively low abundance and ability to persist in a viable but nonculturable state. In the study reported here, hybridization capture sequencing (HCS) was employed to profile low-abundanceVibriospp. in environmental samples. The HCS panel targeted a family of molecular chaperones (CPN60) specific to 69Vibriospp. and 162Vibrio-specific virulence factors. This approach was evaluated in parallel with traditional whole-community shotgun sequencing in a metagenomic analysis of water and oyster samples collected from the Chesapeake Bay. In addition,Vibrio parahaemolyticusandVibrio vulnificusstrains isolated from the samples were subjected to whole-genome sequencing to determine the genetic characteristics of pathogenicVibriospp. circulating in an aquatic environment. HCS, employed to determine the incidence and characterization of specificVibriospp., yielded significantly greater metagenomic insight, notably a variety of otherVibriospp., including detection ofVibrio cholerae,Vibrio fluvialis, andVibrio aestuarianus, in addition toVibrio parahaemolyticusandVibrio vulnificus, and also important virulence factors not detectable using traditional molecular methods. Thus, pathogenicVibriospp. in aquatic ecosystems may be far more common than currently understood. It is concluded that environmental surveillance should include HCS, a valuable tool for the detection and characterization of pathogenic agents in aquatic ecosystems, notably vibrios. IMPORTANCE The increasing prevalence of pathogenicVibriospp. in aquatic ecosystems, driven by climate change, is closely linked to a rise in cholera and vibriosis cases, emphasizing the need for improved environmental surveillance. Vibrios are naturally occurring in aquatic environments globally, but traditional metagenomic methods for detecting and typing pathogenicVibriospp. are challenged by their presence in relatively low abundance and ability to persist in a viable but nonculturable state. In the study reported here, hybridization capture sequencing was employed to profile low-abundanceVibriospp. in metagenomic samples, namely water and oysters collected from the Chesapeake Bay. This approach was evaluated in parallel with traditional whole-community shotgun sequencing and whole-genome sequencing ofVibrio parahaemolyticusandVibrio vulnificusstrains isolated from the samples. Results suggest pathogenicVibriospp. in aquatic ecosystems may be far more common than currently understood, when multiple methods are considered for environmental surveillance.

Microbiology↗

Quantile-Dependent Expressivity of Serum Uric Acid Concentrations

“Quantile-dependent expressivity” occurs when the effect size of a genetic variant depends upon whether the phenotype (e.g., serum uric acid) is high or low relative to its distribution. Analyses were performed to test whether serum uric acid heritability is quantile-specific and whether this could explain some reported gene-environment interactions. Methods. Serum uric acid concentrations were analyzed from 2151 sibships and 12,068 offspring-parent pairs from the Framingham Heart Study. Quantile-specific heritability from offspring-parent regression slopes (β OP , h 2 = 2β OP /(1 + r spouse )) and full-sib regression slopes (β FS ,h 2 = {(1 + 8r spouse β FS ) 0.5 - 1}/(2r spouse ) was robustly estimated by quantile regression with nonparametric significance assigned from 1000 bootstrap samples. Results. Quantile-specific h 2 (±SE) increased with increasing percentiles of the offspring’s sex- and age-adjusted uric acid distribution when estimated from β OP (P trend = 0.001): 0.34 ± 0.03 at the 10th, 0.36 ± 0.03 at the 25th, 0.41 ± 0.03 at the 50th, 0.46 ± 0.04 at the 75th, and 0.49 ± 0.05 at the 90th percentile and when estimated from β FS (P trend = 0.006). This is consistent with the larger genetic effect size of (1) the SLC2A9 rs11722228 polymorphism in gout patients vs. controls, (2) the ABCG2 rs2231142 polymorphism in men vs. women, (3) the SLC2A9 rs13113918 polymorphism in obese patients prior to bariatric surgery vs. two-year postsurgery following 29 kg weight loss, (4) the ABCG2 rs6855911 polymorphism in obese vs. nonobese women, and (5) the LRP2 rs2544390 polymorphism in heavier drinkers vs. abstainers. Quantile-dependent expressivity may also explain the larger genetic effect size of an SLC2A9/PKD2/ABCG2 haplotype for high vs. low intakes of alcohol, chicken, or processed meats. Conclusions. Heritability of serum uric acid concentrations is quantile-specific.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of a macrophage carbamylated proteome reveals a function in post-translational modification crosstalk

Background. Lysine carbamylation is a biomarker of rheumatoid arthritis and kidney diseases. However, its cellular function is understudied due to the lack of tools for systematic analysis of this post-translational modification (PTM). Methods. We adapted a method to analyze carbamylated peptides by co-affinity purification with acetylated peptides based on the cross-reactivity of anti-acetyllysine antibodies. We also performed immobilized-metal affinity chromatography to enrich for phosphopeptides, which allowed us to obtain multi-PTM information from the same samples. Results. By testing the pipeline with RAW 264.7 macrophages treated with bacterial lipopolysaccharide, 7,299, 8,923 and 47,637 acetylated, carbamylated, and phosphorylated peptides were identified, respectively. Our analysis showed that carbamylation occurs on proteins from a variety of functions on sites with similar as well as distinct motifs compared to acetylation. To investigate possible PTM crosstalk, we integrated the carbamylation data with acetylation and phosphorylation data, leading to the identification 1,183 proteins that were modified by all 3 PTMs. Among these proteins, 54 had all 3 PTMs regulated by lipopolysaccharide and were enriched in immune signaling pathways, and in particular, the ubiquitin-proteasome pathway. We found that carbamylation of linear diubiquitin blocks the activity of the anti-inflammatory deubiquitinase OTULIN. Conclusions. Overall, our data show that anti-acetyllysine antibodies can be used for effective enrichment of carbamylated peptides. Moreover, carbamylation may play a role in PTM crosstalk with acetylation and phosphorylation, and that it is involved in regulating ubiquitination in vitro.

59 BASIC BIOLOGICAL SCIENCES↗

Warming-induced permafrost thaw exacerbates tundra soil carbon decomposition mediated by microbial community

BACKGROUND:It is well-known that global warming has effects on high-latitude tundra underlain with permafrost. This leads to a severe concern that decomposition of soil organic carbon (SOC) previously stored in this region, which accounts for about 50% of the world's SOC storage, will cause positive feedback that accelerates climate warming. We have previously shown that short-term warming (1.5 years) stimulates rapid, microbe-mediated decomposition of tundra soil carbon without affecting the composition of the soil microbial community (based on the depth of 42684 sequence reads of 16S rRNA gene amplicons per 3 g of soil sample). RESULTS:We show that longer-term (5 years) experimental winter warming at the same site altered microbial communities (p < 0.040). Thaw depth correlated the strongest with community assembly and interaction networks, implying that warming-accelerated tundra thaw fundamentally restructured the microbial communities. Both carbon decomposition and methanogenesis genes increased in relative abundance under warming, and their functional structures strongly correlated (R 2 > 0.725, p < 0.001) with ecosystem respiration or CH4 flux. CONCLUSIONS:Our results demonstrate that microbial responses associated with carbon cycling could lead to positive feedbacks that accelerate SOC decomposition in tundra regions, which is alarming because SOC loss is unlikely to subside owing to changes in microbial community composition. Video Abstract.

59 BASIC BIOLOGICAL SCIENCES↗

Effects of nitrogen fertilization and bioenergy crop type on topsoil organic carbon and total Nitrogen contents in middle Tennessee USA

Nitrogen (N) fertilization affects bioenergy crop growth and productivity and consequently carbon (C) and N contents in soil, it however remains unclear whether N fertilization and crop type individually or interactively influence soil organic carbon (SOC) and total N (TN). In a three-year long fertilization experiment in switchgrass (SG: Panicum virgatum L.) and gamagrass (GG: Tripsacum dactyloides L.) croplands in Middle Tennessee USA, soil samples (0–15cm) were collected in plots with no N input (NN), low N input (LN: 84 kg N ha -1 yr -1 in urea) and high N input (HN: 168 kg N ha -1 yr -1 in urea). Besides SOC and TN, the aboveground plant biomass was also quantified. In addition to a summary of published root morphology data based on a separated mesocosm experiment, the root leachable dissolved organic matter (DOM) of both crops was also measured using archived samples. Results showed no significant interaction of N fertilization and crop type on SOC, TN or plant aboveground biomass (ABG). Relative to NN, HN (not LN) significantly increased SOC and TN in both crops. Though SG showed a 15–68% significantly higher ABG than GG, GG showed a 9.3–12% significantly higher SOC and TN than SG. The positive linear relationships of SOC or TN with ABG were identified for SG. However, GG showed structurally more complex and less readily decomposed root DOM, a larger root volume, total root length and surface area than SG. Collectively, these suggested that intensive N fertilization could increase C and N stocks in bioenergy cropland soils but these effects may be more likely mediated by the aboveground biomass in SG and root chemistry and morphology in GG. Future studies are expected to examine the root characteristics in different bioenergy croplands under the field fertilization experiment.

54 ENVIRONMENTAL SCIENCES↗

Comparison of 200-IA-1 Operable Unit Soil Concentrations to Preliminary Remediation Goals Protective of Groundwater

This environmental calculation file (ECF) documents the methodology used to determine if current site conditions for the representative waste sites assigned to the 200-IA-1 Operable Unit (OU) based on available sample results are greater than the 200 East or 200 West unit-length preliminary remediation goals (PRGs) for the protection of groundwater.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Laser Surface Processing of Alloys for Corrosion Protection (Final Project Report of Marine Energy Seedling Project)

This is the final project report for the MHK Seedling project. The report describes use of laser surface processing (LSP) to modify the surface of test materials (Al, steel) and the corrosion testing performed on the resulting samples in different corrosion environments. Data shows that LSP improved the corrosion resistance of Al and steel used in this work relative to respective non-LSP samples. The data also showed that each material had a specific range of laser processing conditions where the beneficial effects of LSP (i.e. improvement in corrosion protection) were observed. Application of LSP to enable low-cost materials in marine environments, additional microstructural analysis and long-term testing are proposed to further develop this technology for marine renewable energy and systems.

36 MATERIALS SCIENCE↗

Bi-metallic Nanoparticle Synthesis for Advanced Manufactured Melt Wires

Science Undergraduate Laboratory Internship (SULI) Program Report: Additive manufacturing (AM) based on direct-write technologies has emerged as the predominant method for the fabrication of passive sensors for the harsh operating environments seen in a nuclear reactor. Through the modification of previous methods, Idaho National Laboratory and Villanova University have improved the synthesis process for AM feedstock, which will allow for the improvement of advanced nuclear sensors and instrumentation. A major part of this work includes the synthesis process of relevant AM compatible feedstock to support the development, fabrication, and testing of AM sensors for peak temperature detection. For this report, bismuth, bismuth/platinum, tin, tin/silver, tin/zinc, indium, and indium/silver bi-metallic nanoparticles were synthesized using the polyol method, which will enhance temperature sensitivity and allow for miniaturization. To characterize the synthesized nanoparticles, we used x-ray fluorescence to evaluate the elemental composition of the nanoparticles and differential scanning calorimetry and thermogravimetric analysis to determine the melting point and mass loss of the samples. Results show that bi-metallic nanoparticles are a viable option for the fabrication of high-resolution AM melt wires. The temperature sensitivity can be brought to within 5°C and melt wires can be fabricated that are in the micrometer scale. This will expand the range of irradiation experiments melt wires can be used for and the measured temperature will be significantly more accurate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Soil Sample Report in Support of the Site 300 Hazardous Waste Facility Permit, Part V, Special Condition #16 a-f

The California Department of Toxic Substances Control (DTSC) issued a Resource Conservation and Recovery Act (RCRA) Hazardous Waste Facility Permit (HWFP) to Lawrence Livermore National Laboratory (LLNL) Experimental Test Site 300 (Site 300) in August 2017. This soil sampling summary report is required as part of the HWFP, Part V, Special Condition #16 a-f. Soil sample results for Constituents of Concern (COC) were evaluated relative to established site-wide background levels that were developed by the LLNL Environmental Restoration Department (ERD) for site mitigation work pursuant to the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA).

54 ENVIRONMENTAL SCIENCES↗