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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Application of MELCOR for Simulating Molten Salt Reactor Accident Source Terms

Molten Salt Reactor (MSR) systems can be divided into two basic categories: liquid-fueled MSRs in which the fuel is dissolved in the salt, and solid-fueled systems such as the Fluoride-salt-cooled High-temperature Reactor (FHR). The molten salt provides an impediment to fission product release as actinides and many fission products are soluble in molten salt. Nonetheless, under accident conditions, some radionuclides may escape the salt by vaporization and aerosol formation, which may lead to release into the environment. Here, we present recent enhancements to MELCOR to represent the transport of radionuclides in the salt and releases from the salt. Some soluble but volatile radionuclides may vaporize and subsequently condense to aerosol. Insoluble fission products can deposit on structures. Thermochimica, an open-source Gibbs Energy Minimization (GEM) code, has been integrated into MELCOR. With the appropriate thermochemical database, Thermochimica provides the solubility and vapor pressure of species as a function of temperature, pressure, and composition, which are needed to characterize the vaporization rate and the state of the salt with fission products. Since thermochemical databases are still under active development for molten salt systems, thermodynamic data for fission product solubility and vapor pressure may be user specified. This enables preliminary assessments of fission product transport in molten salt systems. In this paper, we discuss modeling of soluble and insoluble fission product releases in a MSR with Thermochimica incorporated into MELCOR. Separate-effects experiments performed as part of the Molten Salt Reactor Experiment in which radioactive aerosol was released are discussed as needed for determining the source term.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Observations of ozone, acyl peroxy nitrates, and their precursors during summer 2019 at Carlsbad Caverns National Park, New Mexico

Carlsbad Caverns National Park (CAVE) is located in southeastern New Mexico and is adjacent to the Permian Basin, one of the most productive oil and natural gas (O&G) production regions in the United States. Since 2018, ozone (O 3 ) at CAVE has frequently exceeded the 70 ppbv 8-hour National Ambient Air Quality Standard. We examine the influence of regional emissions on O 3 formation using observations of O 3 , nitrogen oxides (NO x = NO + NO 2 ), a suite of volatile organic compounds (VOCs), peroxyacetyl nitrate (PAN), and peroxypropionyl nitrate (PPN). Elevated O 3 and its precursors are observed when the wind is from the southeast, the direction of the Permian Basin. We identify 13 days during the July 25 to September 5, 2019 study period when the maximum daily 8-hour average (MDA8) O 3 exceeded 65 ppbv; MDA8 O 3 exceeded 70 ppbv on 5 of these days. The results of a positive matrix factorization (PMF) analysis are used to identify and attribute source contributions of VOCs and NO x . On days when the winds are from the southeast, there are larger contributions from factors associated with primary O&G emissions; and, on high O 3 days, there is more contribution from factors associated with secondary photochemical processing of O&G emissions. The observed ratio of VOCs to NOx is consistently high throughout the study period, consistent with NO x -limited O 3 production. Finally, all high O 3 days coincide with elevated acyl peroxy nitrate abundances with PPN to PAN ratios > 0.15 ppbv ppbv -1 indicating that anthropogenic VOC precursors, and often alkanes specifically, dominate the photochemistry.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The 2020 plasma catalysis roadmap

Abstract Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO 2 conversion into value-added chemicals and fuels, CH 4 activation into hydrogen, higher hydrocarbons or oxygenates, and NH 3 synthesis. Other applications are already more established, such as for air pollution control, e.g. volatile organic compound remediation, particulate matter and NO x removal. In addition, plasma is also very promising for catalyst synthesis and treatment. Plasma catalysis clearly has benefits over ‘conventional’ catalysis, as outlined in the Introduction. However, a better insight into the underlying physical and chemical processes is crucial. This can be obtained by experiments applying diagnostics, studying both the chemical processes at the catalyst surface and the physicochemical mechanisms of plasma-catalyst interactions, as well as by computer modeling. The key challenge is to design cost-effective, highly active and stable catalysts tailored to the plasma environment. Therefore, insight from thermal catalysis as well as electro- and photocatalysis is crucial. All these aspects are covered in this Roadmap paper, written by specialists in their field, presenting the state-of-the-art, the current and future challenges, as well as the advances in science and technology needed to meet these challenges.

Bogaerts, Annemie (ORCID:0000000198756460)↗
DOE OSTI2023

Computer simulation of carbonization and graphitization of coal

Abstract This study describes computer simulations of carbonization and graphite formation, including the effects of hydrogen, nitrogen, oxygen, and sulfur. We introduce a novel technique to simulate carbonization, ‘Simulation of Thermal Emission of Atoms and Molecules (STEAM)’, designed to elucidate volatile outgassing and density variations in the intermediate material during carbonization. The investigation analyzes the functional groups that endure through high-temperature carbonization and examines the graphitization processes in carbon-rich materials containing non-carbon impurity elements. The physical, vibrational, and electronic attributes of impure amorphous graphite are analyzed, and the impact of nitrogen on electronic conduction is investigated.

Ugwumadu, C. (ORCID:0000000199207594)↗
DOE OSTI2022

Optimization of 3D controlled ELM-free state with recovered global confinement for KSTAR with n = 1 resonant magnetic field perturbation

Mitigation of deleterious heat flux from edge-localized modes (ELMs) on fusion reactors is often attempted with 3D perturbations of the confining magnetic fields. However, the established technique of resonant magnetic perturbations (RMPs) also degrades plasma performance, complicating implementation on future fusion reactors. Here, we introduce an adaptive real-time control scheme on the KSTAR tokamak as a viable approach to achieve an ELM-free state and simultaneously recover high-confinement (βN ~ 1.91, β p ~ 1.53, and H 98 ~ 0.9), demonstrating successful handling of a volatile complex system through adaptive measures. We show that, by exploiting a salient hysteresis process to adaptively minimize the RMP strength, stable ELM suppression can be achieved while actively encouraging confinement recovery. This is made possible by a self-organized transport response in the plasma edge which reinforces the confinement improvement through a widening of the ion temperature pedestal and promotes control stability, in contrast to the deteriorating effect on performance observed in standard RMP experiments. These results establish the real-time approach as an up-and-coming solution toward an optimized ELM-free state, which is an important step for the operation of ITER and reactor-grade tokamak plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The shape of electrified transportation

Transportation is currently the least-diversified energy demand sector, with over 90% of global transportation energy use coming from petroleum products [1]. For more than a century, petroleum fuels have been relied upon to move people and goods within and between towns and cities, and on roads, railways, farms, waterways, and in the air. These energy-dense fuels have unquestionably provided reliable and convenient mobility options to power the modern global economy. However, these benefits have also created challenges associated with geopolitics, energy security, price volatility, and environmental impacts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Climate change penalty and benefit on surface ozone: a global perspective based on CMIP6 earth system models

Abstract This work presents an analysis of the effect of climate change on surface ozone discussing the related penalties and benefits around the globe from the global modelling perspective based on simulations with five CMIP6 (Coupled Model Intercomparison Project Phase 6) Earth System Models. As part of AerChemMIP (Aerosol Chemistry Model Intercomparison Project) all models conducted simulation experiments considering future climate (ssp370SST) and present-day climate (ssp370pdSST) under the same future emissions trajectory (SSP3-7.0). A multi-model global average climate change benefit on surface ozone of −0.96 ± 0.07 ppbv °C −1 is calculated which is mainly linked to the dominating role of enhanced ozone destruction with higher water vapour abundances under a warmer climate. Over regions remote from pollution sources, there is a robust decline in mean surface ozone concentration on an annual basis as well as for boreal winter and summer varying spatially from −0.2 to −2 ppbv °C −1 , with strongest decline over tropical oceanic regions. The implication is that over regions remote from pollution sources (except over the Arctic) there is a consistent climate change benefit for baseline ozone due to global warming. However, ozone increases over regions close to anthropogenic pollution sources or close to enhanced natural biogenic volatile organic compounds emission sources with a rate ranging regionally from 0.2 to 2 ppbv C −1 , implying a regional surface ozone penalty due to global warming. Overall, the future climate change enhances the efficiency of precursor emissions to generate surface ozone in polluted regions and thus the magnitude of this effect depends on the regional emission changes considered in this study within the SSP3_7.0 scenario. The comparison of the climate change impact effect on surface ozone versus the combined effect of climate and emission changes indicates the dominant role of precursor emission changes in projecting surface ozone concentrations under future climate change scenarios.

Zanis, Prodromos↗
DOE OSTI2022

Increasing precipitation whiplash in climate change hotspots

Abstract Throughout the world, the hydrologic cycle is projected to become more variable due to climate change, posing challenges in semi-arid regions with high water resource vulnerability. Precipitation whiplash results from hydrologic variability, and refers to interannual shifts between wet (⩾80th historical percentile) and dry (⩽20th historical percentile) years. Using five model large ensembles, we show that whiplash is projected to increase in frequency (25%–60%) and intensity (30%–100%) by 2100 across several semi-arid regions of the globe, including Western North America and the Mediterranean. These changes can be driven by increases in the frequency of wet years or dry years, or both, depending on the region. Moisture budget calculations in these regions illuminate the physical mechanisms behind increased whiplash. Thermodynamic changes generally dominate, with modulations by dynamics, evaporation, and eddies on regional or global scales. These findings highlight increasingly volatile hydrology in semi-arid regions as the 21st Century progresses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Breath analysis by ultra-sensitive broadband laser spectroscopy detects SARS-CoV-2 infection

Rapid testing is essential to fighting pandemics such as coronavirus disease 2019 (COVID-19), the disease caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Exhaled human breath contains multiple volatile molecules providing powerful potential for non-invasive diagnosis of diverse medical conditions. We investigated breath detection of SARS-CoV-2 infection using cavity-enhanced direct frequency comb spectroscopy (CE-DFCS), a state-of-the-art laser spectroscopic technique capable of a real-time massive collection of broadband molecular absorption features at ro-vibrational quantum state resolution and at parts-per-trillion volume detection sensitivity. Using a total of 170 individual breath samples (83 positive and 87 negative with SARS-CoV-2 based on reverse transcription polymerase chain reaction tests), we report excellent discrimination capability for SARS-CoV-2 infection with an area under the receiver-operating-characteristics curve of 0.849(4). Our results support the development of CE-DFCS as an alternative, rapid, non-invasive test for COVID-19 and highlight its remarkable potential for optical diagnoses of diverse biological conditions and disease states.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Improving tubular protonic ceramic fuel cell performance by compensating Ba evaporation via a Ba-excess optimized proton conducting electrolyte synthesis strategy

Protonic ceramic fuel cells (PCFCs) are emerging as a promising technology for reduced temperature ceramic energy conversion devices. The BaCe 0.4 Zr 0.4 Y 0.1 Yb 0.1 O 3–δ (BCZYYb4411) electrolyte is notable for its high proton conductivity. However, the tendency of barium to volatilize in BCZYYb4411 during high-temperature sintering compromises its chemical stability and performance. This study investigates the effects of intentionally incorporating excess barium into BCZYYb4411, formulated as Ba 1+x Ce 0.4 Zr 0.4 Y0.1Yb 0.1 O 3–δ (where x = 0, 0.1, 0.2, and 0.3), with the aim of compensating barium evaporation and enhancing the physical and chemical properties. We find that excess barium results in a greater shrinkage rate, facilitating a denser electrolyte structure. This barium-enriched electrolyte demonstrates improved electrochemical performance by effectively counteracting the deleterious effects of barium evaporation. Applying this strategy to tubular PCFCs, we achieved a peak power density of 480 mW•cm –2 at 600 °C. This unique approach provides a simple, tunable, and easy-to-implement processing modification to achieve high-performance tubular PCFC.

25 ENERGY STORAGE↗
DOE OSTI2023

Integration of Ag-CBRAM crossbars and Mott ReLU neurons for efficient implementation of deep neural networks in hardware

In-memory computing with emerging non-volatile memory devices (eNVMs) has shown promising results in accelerating matrix-vector multiplications. However, activation function calculations are still being implemented with general processors or large and complex neuron peripheral circuits. Here, we present the integration of Ag-based conductive bridge random access memory (Ag-CBRAM) crossbar arrays with Mott rectified linear unit (ReLU) activation neurons for scalable, energy and area-efficient hardware (HW) implementation of deep neural networks. We develop Ag-CBRAM devices that can achieve a high ON/OFF ratio and multi-level programmability. Compact and energy-efficient Mott ReLU neuron devices implementing ReLU activation function are directly connected to the columns of Ag-CBRAM crossbars to compute the output from the weighted sum current. We implement convolution filters and activations for VGG-16 using our integrated HW and demonstrate the successful generation of feature maps for CIFAR-10 images in HW. Our approach paves a new way toward building a highly compact and energy-efficient eNVMs-based in-memory computing system.

Mott insulators↗
DOE OSTI2024

Infrastructure first principles for the Anthropocene

Abstract There appears to be a growing decoupling between the conditions that infrastructures were designed for and today’s rapidly changing environments. Infrastructures today are largely predicated on the technologies, goals, and governance structures from a century ago. While infrastructures continue to deliver untold value, there is growing evidence that these critical, basic, and lifeline systems appear ill-equipped to confront the volatility, uncertainty, accelerating conditions, and complexity that define them and their changing environments. Innovative and disruptive first principles are needed to guide infrastructures in the Anthropocene. Drawing from emerging infrastructure research and disciplines that appear better able to confront disruption and change, a novel set of first principles are identified: (1) Plan for complex conditions and surprise; (2) Recouple with agility and flexibility; (3) Govern for exploration and instability; (4) Build consensus as control decentralizes; (5) Restructure to engage with porous boundaries; and, (6) Cyberthreat planning is now mission critical. These principles should guide infrastructure planning recognizing the changing nature and increasingly obsolete boundaries that have defined engineered systems in the modern era.

Chester, Mikhail (ORCID:0000000293542102)↗
DOE OSTI2021

ExoMars Mars Organic Molecule Analyzer (MOMA) Laser Desorption/Ionization Mass Spectrometry (LDI-MS) Analysis of Phototrophic Communities from a Silica-Depositing Hot Spring in Yellowstone National Park, USA

The Mars Organic Molecule Analyzer (MOMA) is a key scientific instrument on the ExoMars Rover mission. MOMA is designed to detect and characterize organic compounds, over a wide range of volatility and molecular weight, in samples obtained from up to two meters below the martian surface. Thorough analog sample studies are required to best prepare to interpret MOMA data collected on Mars. We present here the MOMA characterization of Mars analog samples collected from an alkaline silica depositing hot spring in Yellowstone National Park, WY, USA. These samples contain microbial streamer communities composed primarily of oxygenic and anoxygenic phototrophs. Additionally, in a study focused on detection of key classes of nonvolatile organics, samples of microbial streamers and their total lipid extract (TLE) have been measured on a MOMA Engineering Test Unit (ETU) instrument using its laser desorption/ionization mass spectrometry (LDI-MS) mode. MOMA LDI-MS detected a variety of lipids and pigments in the TLE sample. Species such as chlorophyll a were also detected from the streamer sample with the help of mass isolation. The results add to the LDI-MS sample characterization database, as well as demonstrate the benefit of using mass isolation on the MOMA instrument to reveal the presence of complex organics, and potential biomarkers, preserved in a natural sample, providing guidance to the in situ analysis of surface samples during Mars operations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Supplemental selenium source on gut health: insights on fecal microbiome and fermentation products of growing puppies

ABSTRACT Selenium is an essential trace element that can modulate the gut microbiome with an impact on host health. The present study aimed to evaluate the effects of organic (selenium-enriched yeast) vs inorganic (sodium selenite) selenium source on fecal end-fermentation products and gut microbiome of puppies from 20 to 52 weeks of age. Alpha and beta diversity of the gut bacterial community were affected by age but not by gender or selenium source. The relative abundance of taxa was differently affected by age, and the DNA concentration of all selected bacterial groups increased with age, although total volatile fatty acids (VFA), acetate, propionate, caproate and lactate concentrations decreased. Organic selenium was associated with a higher concentration of total VFA, propionate and butyrate, a higher number of DNA copies of Lactobacillus, and a trend to lower DNA copies of Escherichia coli. Effects on fecal microbiome during growth differed with selenium source. Females had higher fecal end-fermentation products related to protein degradation, whereas males had higher DNA concentration of Bifidobacterium. Organic selenium might be beneficial over inorganic for dog food supplementation due to the positive modulation of the gut microbiome observed in puppies.

Pereira, Ana Margarida↗
DOE OSTI2023

Insights into the transcriptional regulation of poorly characterized alcohol acetyltransferase-encoding genes (HgAATs) shed light into the production of acetate esters in the wine yeast Hanseniaspora guilliermondii

Abstract Hanseniaspora guilliermondii is a well-recognized producer of acetate esters associated with fruity and floral aromas. The molecular mechanisms underneath this production or the environmental factors modulating it remain unknown. Herein, we found that, unlike Saccharomyces cerevisiae, H. guilliermondii over-produces acetate esters and higher alcohols at low carbon-to-assimilable nitrogen (C:N) ratios, with the highest titers being obtained in the amino acid-enriched medium YPD. The evidences gathered support a model in which the strict preference of H. guilliermondii for amino acids as nitrogen sources results in a channeling of keto-acids obtained after transamination to higher alcohols and acetate esters. This higher production was accompanied by higher expression of the four HgAATs, genes, recently proposed to encode alcohol acetyl transferases. In silico analyses of these HgAat’s reveal that they harbor conserved AATs motifs, albeit radical substitutions were identified that might result in different kinetic properties. Close homologues of HgAat2, HgAat3, and HgAat4 were only found in members of Hanseniaspora genus and phylogenetic reconstruction shows that these constitute a distinct family of Aat’s. These results advance the exploration of H. guilliermondii as a bio-flavoring agent providing important insights to guide future strategies for strain engineering and media manipulation that can enhance production of aromatic volatiles.

Seixas, Isabel↗
DOE OSTI2024

Bridging the gap: linking Torulaspora delbrueckii genotypes to fermentation phenotypes and wine aroma

Abstract Climate change and consumer preferences are driving innovation in winemaking, with a growing interest in non-Saccharomyces species. Among these, Torulaspora delbrueckii (Td) has gained recognition for its ability to reduce volatile acidity and enhance aromatic complexity in wine. However, knowledge regarding its phenotypic and genomic diversity impacting alcoholic fermentation remains limited. Aiming to elucidate the metabolic differences between Td and Saccharomyces cerevisiae (Sc) and the Td intraspecies diversity, we conducted a comprehensive metabolic characterization of 15 Td strains. This analysis delved beyond standard fermentation parameters (kinetics and major metabolites production) to explore non-conventional aromas and establish genotype-phenotype links. Our findings confirmed that most Td strains produce less acetic acid and more succinate and glycerol than Sc. The overall aromatic profiles of Td strains differed from Sc, exhibiting higher levels of monoterpenes and higher alcohols, while producing less acetate esters, fatty acids, their corresponding ethyl esters, and lactones. Moreover, we identified the absence of genes responsible for specific aroma profiles, such as decreased ethyl esters production, as well as the absence of cell wall genes, which might negatively affect Td performance when compared to Sc. This work highlights the significant diversity within Td and underscores potential links between its genotype and phenotype.

Silva-Sousa, Flávia (ORCID:0000000307383190)↗
DOE OSTI2022

Chromosome-Level Genome Assembly of Mentha longifolia L. Reveals Gene Organization Underlying Disease Resistance and Essential Oil Traits

Mentha longifolia (L.) Huds., a wild, diploid mint species, has been developed as a model for mint genetic and genomic research to aid breeding efforts that target Verticillium wilt disease resistance and essential oil monoterpene composition. Here, we present a near-complete, chromosome-scale mint genome assembly for M. longifolia USDA accession CMEN 585. This new assembly is an update of a previously published genome draft, with dramatic improvements. A total of 42,107 protein-coding genes were annotated and placed on 12 chromosomal scaffolds. One hundred fifty-three genes contained conserved sequence domains consistent with nucleotide binding site-leucine-rich-repeat (NBS-LRR) plant disease resistance genes. Homologs of genes implicated in Verticillium wilt resistance in other plant species were also identified. Multiple paralogs of genes putatively involved in p-menthane monoterpenoid biosynthesis were identified and several cases of gene clustering documented. Heterologous expression of candidate genes, purification of recombinant target proteins, and subsequent enzyme assays allowed us to identify the genes underlying the pathway that leads to the most abundant monoterpenoid volatiles. Here, the bioinformatic and functional analyses presented here are laying the groundwork for using marker-assisted selection in improving disease resistance and essential oil traits in mints.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Evaluation of digestively resistant or soluble fibers, short- and medium-chain fatty acids, trace minerals, and antibiotics in nonchallenged nursery pigs on performance, digestibility, and intestinal integrity

Abstract Three experiments (EXP) were conducted to determine the effect of feed additives on performance, intestinal integrity, gastrointestinal volatile fatty acids (VFA), and energy and nutrient digestion in nonchallenged nursery pigs. In EXP 1, 480 pigs (6.36-kg body weight, BW) were placed into 96 pens with 5 pigs/pen, and allotted to 1 of 10 dietary treatments: 1) negative control containing no feed additive (NC), 2) NC + 44 mg chlortetracycline and 38.5 mg tiamulin/kg diet (CTsb), 3) NC + 5% resistant potato starch (RSpo), 4) NC + 5% soluble corn fiber (SCF), 5) NC + 5% sugar beet pulp (SBP), 6) NC + 0.30% fatty acid mix (FAM), 7) NC + 0.10% phytogenic blend of essential oils and flavoring compounds (PHY), 8) NC + 50 mg Cu and 1,600 mg zinc oxide/kg diet (CuZn), 9) NC + 5% resistant corn starch (RScn), and 10) NC + 0.05% β-glucan (BG) for 28 d. There was no impact of dietary treatment on BW gain or feed intake (P ≥ 0.22). Pigs fed diets containing SCF, CTsb, and RSpo resulted in microbial community differences compared to pigs fed the NC (P < 0.05). In EXP 2, 48 barrows (12.8 kg BW) were selected at the end of EXP 1 and fed the same dietary treatments they had previously received: 1) NC, 2) NC + 5% RScn, 3) NC + 5% SCF, and 4) NC + FAM for 8 d. There was no effect of feeding diets containing RScn, SCF, or FAM on in vivo intestinal permeability (P ≤ 0.21). Ileal or colon pH, concentrations of VFA did not differ due to dietary treatment (P ≥ 0.36), but pigs fed diets containing FAM resulted in a greater butyric acid concentration in the cecum compared to pigs fed the NC (P ≤ 0.05). In EXP 3, 156 pigs (6.11 kg BW) were placed into 52 pens with 3 pigs/pen and allotted to 1 of 4 dietary treatments arranged in a factorial manner: 1) NC, 2) NC + 5% RSpo, 3) NC + 0.30% FAM, and 4) NC + 5% RSpo + 0.30% FAM for 24 d. Feeding pigs diets containing RSpo did not affect BW gain (P = 0.91) while pigs fed diets containing FAM grew improved BW gain (P = 0.09). Colonic butyric acid concentrations were greater in pigs fed diets containing RSpo (P = 0.03), while pigs fed diets containing FAM exhibited reduced total VFA concentrations (P = 0.11). The results indicate that supplementing diets with digestively resistant but fermentable fibers, short- and medium-chain fatty acids, or antibiotics do not have a consistent effect, positive or negative, on markers of intestinal integrity or barrier function, intestinal VFA patterns, ATTD of energy and nutrients, or on pig performance.

Agriculture↗