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At least 127 records · Page 7

Updates to Enhanced Geothermal System Resource Potential Estimate

The deep EGS electricity generation resource potential estimate maintained by the National Renewable Energy Laboratory was updated using the most recent temperature-at-depth maps available from the Southern Methodist University Geothermal Laboratory. The previous study dates back to 2011 and was developed using the original temperature-at-depth maps showcased in the 2006 MIT Future of Geothermal Energy report. The methodology used to update the deep EGS resource potential is the same as in the previous study and is summarized in the paper. The updated deep EGS resource potential estimate was calculated for depths between 3 and 7 km and is binned in 25 degrees C increments. The updated deep EGS electricity generation resource potential estimate is 4,349 GWe. A comparison of the estimates from the previous and updated studies shows a net increase of 117 GWe in the 3-7 km depth range, due mainly to increases in the underlying temperature-at-depth estimates from the updated maps.

15 GEOTHERMAL ENERGY↗

Microbial extracellular polysaccharide production and aggregate stability controlled by switchgrass ( Panicum virgatum ) root biomass and soil water potential

Deep-rooting perennial grasses are promising feedstocks for biofuel production, especially in marginal soils lacking organic material, nutrients, and/or that experience significant water stress. Perennial grass roots influence surrounding soil conditions and microbial activities, and produce extracellular polymeric substances (EPS) composed primarily of extracellular polysaccharides (EPSac). These polymers can alleviate microbial moisture and nutrient stress, and enhance soil characteristics through improved water retention and aggregate stability—which may in turn enhance carbon persistence. Here, we used a 13 CO 2 greenhouse tracer experiment to examine the effect of switchgrass cultivation on EPSac production and origin in a marginal soil with five fertilization/water treatments (control, +N, +NP, +P, low water), and compared these results with measurements of field soils collected after long-term switchgrass cultivation. Soils with added nitrogen and phosphorus (+NP) had the highest root biomass, EPSac and percentage of water-stable soil aggregates. Multiple linear regression analyses revealed that root biomass and soil water potential were important determinants of soil EPSac production, potentially by controlling carbon supply and diurnal changes in moisture stress. Path analysis showed that soil aggregation was positively correlated with bulk soil EPSac content and also regulated by soil water potential. High mannose content indicated the majority of EPSac was of microbial origin and 13 CO 2 labeling indicated that 0.18% of newly fixed plant carbon was incorporated into EPSac. Analysis of field soils suggests that EPSac is significantly enhanced after long-term switchgrass cultivation. Taken as a whole, our greenhouse and field results demonstrate that switchgrass cultivation can promote microbial production of EPSac, providing a mechanism to enhance aggregation in marginal soils.

13c labeling↗

Probing the potential of type V Deep eutectic solvents as sustainable electrolytes

The increasing interest within the scientific community in environmentally friendly solvents has led to a focus on Deep Eutectic Solvents (DES), which have natural components. DES are viewed as alternatives to traditional organic solvents and have the potential to be used as electrolytes. For the first time, transport properties of four Type V Deep Eutectic Salt Solutions (DESS) were accessed to investigate the potential of this technology, selecting precursors ranked as excellent in Eco-Scale metrics. The DESS were composed of terpene and trioctylphosphine oxide (TOPO), and varying concentrations of lithium bis(trifluoromethane)sulfonimide (LiTFSI), and their properties were assessed through self-diffusion, viscosity, density, and conductivity measurements. While Type V DESS are capable of dissolving significant amounts of LiTFSI (up to 30 % molar), their ionic conductivity is low, with values ranging from 3.6·10 –3 to 9.3·10 –2 mS·cm –1 at 25 °C, thus limiting their suitability as electrolytes, for instance, for lithium-ions batteries applications. Similar diffusion coefficients for Li + and TFSI – ions suggest the formation of long-lived ion pairs moving as a neutral species. As a result, future research aims to introduce additives to disrupt contact ion pairs and enhance transport properties, leveraging the sustainable appeal of DES and their use in advanced energy storage technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

KBase Narrative - Atacama Trench & Sn Clemente 2018 cruise Metagenomes -Decontamination through Metagenomic Fractionation and analysis of Metabolic Potential-

Deep-sea microbiomes sampled with traditional or pressure-retaining instrumentation A fundamental property of life in the sea is that with increasing depth must come increased adaptation to elevated hydrostatic pressures. This project aims to assess technology for the accurate characterization of microbial biodiversity and biochemistry at greater depths, and validate its use in some of the deepest and least-explored waters in the Ocean: Hadal Trench. Compared to the 0.1 megapascal (MPa) of surface waters, organisms inhabiting at the average depth of the Ocean (3800 m) have to deal with pressures of 38 MPa (5,500 psi). The effects of these high pressure have been most thoroughly investigated in microorganisms, where it has been found to affect membrane integrity and transport, cytoskeletal assembly and both DNA and protein synthesis. We will explore the diversity and activity of microorganisms from 2000 m to >8,000 m depths within the highly productive water column of hadal trenches, comparing seawater samples obtained with and without substantial pressure changes during recovery. A pressure retaining device was used to sample the microbial communities of the watercolumn with reduced decompression during retreival (Peoples et. al., 2019). References: Peoples LM, Norenberg M, Price D, McGoldrick M, Novotny M, Bochdansky A, Bartlett DH. A full-ocean-depth rated modular lander and pressure-retaining sampler capable of collecting hadal-endemic microbes under in situ conditions. Deep Sea Research Part I: Oceanographic Research Papers. 2019 Jan 1;143:50-7.

Plominsky, Alvaro M.↗

Electronic characterization of defects in narrow gap semiconductors

The study of point defects in semiconductors has a long and honorable history. In particular, the detailed understanding of shallow defects in common semiconductors traces back to the classic work of Kohn and Luttinger. However, the study of defects in narrow gap semiconductors represents a much less clear story. Here, both shallow defects (caused by long range potentials) and deep defects (from short range potentials) are far from being completely understood. In this study, all results are calculational and our focus is on the chemical trend of deep levels in narrow gap semiconductors. We study substitutional (including antisite), interstitial and ideal vacancy defects. For substitutional and interstitial impurities, the efects of relaxation are included. For materials like Hg(1-x)Cd(x)Te, we study how the deep levels vary with x, of particular interest is what substitutional and interstitial atoms yield energy levels in the gap i.e. actually produce deep ionized levels. Also, since the main technique utilized is Green's functions, we include some summary of that method.

Patterson, James D.↗

Update to Enhanced Geothermal System Resource Potential Estimate: Preprint

The deep EGS electricity generation resource potential estimate maintained by the National Renewable Energy Laboratory was updated using the most recent temperature-at-depth maps available from the Southern Methodist University Geothermal Laboratory. The previous study dates back to 2011 and was developed using the original temperature-at-depth maps showcased in the 2006 MIT Future of Geothermal Energy report. The methodology used to update the deep EGS resource potential is the same as in the previous study and is summarized in the paper. The updated deep EGS resource potential estimate was calculated for depths between 3 and 7 km and is binned in 25 degrees C increments. The updated deep EGS electricity generation resource potential estimate is 4,349 GWe. A comparison of the estimates from the previous and updated studies shows a net increase of 117 GWe in the 3-7 km depth range, due mainly to increases in the underlying temperature-at-depth estimates from the updated maps.

15 GEOTHERMAL ENERGY↗

Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists

The α2a adrenoceptor is a particularly medically relevant subtype of the G protein-couple receptor family. Unfortunately, high-throughput techniques aimed at producing novel drug leads targeted to this receptor have been largely unsuccessful due to the complex pharmacology of adrenergic receptors. As such, cutting-edge in silico ligand- and structure-based assessment and de novo deep learning methods are well-positioned to provide new insights into protein-ligand interactions and potential active compounds. In this work, we (i) collect a dataset of α2a adrenoceptor agonists and provide it as a resource for the drug design community; (ii) use the dataset as a basis to generate candidate active structures via deep learning; and (iii) apply computational ligand- and structure-based analysis techniques to gain new insight into α2a adrenoceptor agonists and assess the quality of the computer-generated compounds. Additionally, we further describe how such assessment techniques can be applied to putative chemical probes with a case study involved proposed medetomidine-based probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Building the Next Generation of Regional Geothermal Potential Maps: Examples from the Great Basin Region, Western USA

Over the past decade research has greatly advanced our understanding of structurally controlled geothermal systems and the potential for “deep stratigraphic reservoirs” in the Great Basin region, western USA. For example, studies have shown that structurally controlled geothermal systems are associated with specific structural settings, such as terminations of major normal faults, accommodation zones, pull-aparts in strike-slip faults, displacement transfer zones, or step-overs in range-front faults. However, we know that not every structure (e.g., termination of a major normal fault or step-over in a range-front fault) hosts an active geothermal system. Recent research has also shown that regional strain rate model as determined from GPS geodesy, the composition of that strain (extensional versus shear or compressive strain), recency of Quaternary faulting, and slip and dilation tendency of faults correlate positively with the distribution of both high and low-temperature, structurally controlled geothermal systems within the Great Basin. Combining these strain data and fault slip history data sets with existing temperature gradient data, heat flow data, spring temperatures, fluid geothermometry, and geophysical data provides an effective platform for evaluating the geothermal potential of respective structural plays. Recent studies focused on deep stratigraphic reservoirs indicate the best conditions for economically viable development are associated with thick sedimentary basins with low-thermal-conductivity sedimentary cap rocks overlying permeable host rocks (e.g. carbonates) and co-located with areas of high heat flow. Some of the factors that contribute to the potential for deep stratigraphic reservoirs and conventional structurally controlled geothermal systems apply to both types of resources, and in some places the potential for these two types of resources overlap in space, suggesting the potential for hybrid reservoirs (structurally controlled deep stratigraphic reservoirs). Effective and complete evaluation of geothermal potential in the Great Basin should include parameters that cover both types of resources. In this study, two areas with a combined area of 26,000 km 2 were evaluated for geothermal resource potential, equating to <4% of the total 680,000 km 2 size of the Great Basin region. Within these two study areas, 73 potential structural targets and 8 potential deep sedimentary target areas were identified. Four of the 73 potential structural target areas are associated with known thermal anomalies. All 73 structural target areas were ranked according to multiple data sets.

15 GEOTHERMAL ENERGY↗

Graph-EAM: An Interpretable and Efficient Graph Neural Network Potential Framework

The development of deep learning interatomic potentials has enabled efficient and accurate computations in quantum chemistry and materials science, circumventing computationally expensive ab initio calculations. However, the huge number of learnable parameters in deep learning models and their complex architectures hinder physical interpretability and affect the robustness of the derived potential. In this work, we propose graph-EAM, a lightweight graph neural network (GNN) inspired by the empirical embedded atom method to model the interatomic potential of single-element structures. Four material systems: platinum, niobium, silicon, and amorphous-carbon, for which quantum simulation data sets are publicly available, are examined to demonstrate that graph-EAM can achieve high energy and force prediction accuracy-comparable or better than existing state-of-the-art machine learning models-with much fewer parameters. It is also shown that the explicit inclusion of the angular information via three-body atomic density increases the prediction accuracy. In conclusion, the accuracy and efficiency of potentials obtained from graph-EAM can help accelerate the molecular dynamics simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Navigation requirements for advanced deep space missions.

Study of the navigation system requirements and capabilities for potential advanced deep space missions of the 1978 to 1990 era. Following a review of these potential missions, the mission-by-mission assessments of the critical navigation system requirements for a mission set selected are presented. The requirements are related to subsystem research and development implications and are used to formulate recommendations for future developments in navigation systems. Programmatic directions required for deep space navigation are presented.

Friedman, L. D.↗

A Multi Targeted Dietary Supplement as a Potential Countermeasure for Prolonged, Deep Space Exploration

Deep space exploration, particularly to the Moon and Mars, are currently major goals of NASA and other international space agencies. Long-term space flight presents unique challenges to the human physiology from microgravity, social isolation, altered circadian rhythm and radiation. Oxidative stress has been implicated as a crucial factor in space environment induced injury. Elucidating these detrimental effects on the central nervous system and brain is a primary objective, as they may result in adverse changes in astronaut behavior, mood and performance of critical tasks. We were recently funded by HRP Human Factors Behavioral Performance (HFBP) Element to test the hypothesis that Galactic Cosmic Ray Simulation (GCRsim) Ionizing Radiation (IR), microgravity and social isolation combine synergistically to trigger an oxidative stress response that alters immune homeostasis, brain structure and function, and neurobehavioral and cognitive performance. This project will identify potential biomarkers for, and mechanisms underlying, structural and functional changes in the immune and nervous systems leading to behavioral/cognitive performance deficits, and its potential application to develop effective countermeasures to mitigate negative health effects of long duration space habitation. Countermeasures to offset neurological damaged and cognitive deficits are paramount for protecting astronauts during deep space transits, but many countermeasures have been found to be unsuitable in ground-based model studies. We have developed a multi targeted dietary supplement (MTDS) designed to simultaneously ameliorate oxidative stress, inflammatory processes, energetic shortfalls, and membrane and mitochondrial deterioration. Administration of this MTDS has improved cognition and longevity in age accelerated and normal aging mice. Specifically, the MTDS was found to prevent a decline in mitochondrial complex III activity and cell loss, as well as prevent an increase in protein carbonyls and mitochondrial 3-nitrotyrosine in the brain of these mice. Further, administration of the MTDS was also found to reduce bone marrow chromosomal aberrations, DNA damage, lymphocyte apoptosis after whole body exposure of 2 Gy γ radiation. Mice exposed to a high dose cranially (10 Gy) had decreased cognitive responses (seen as increased latency time to uncover buried food and decreased novel object recognition), increased plasma 8-OHdG levels, increased markers of cell stress in the brain, decreased hippocampal brain-derived neurotrophic factor (BDNF) protein and decreased plasma levels of cytokines, all of which were ameliorated with treatment of the MTDS. As we have shown the supplement is protective in models of cognitive damage similar space environment stressors, particularly increased oxidative stress, we propose it may be a suitable countermeasure for upcoming deep space exploration.

radiation↗

Tornadoes in Southeast South America: Mesoscale to Planetary-Scale Environments

Abstract A multiscale analysis of the environment supporting tornadoes in southeast South America (SESA) was conducted based on a self-constructed database of 74 reports. Composites of environmental and convective parameters from ERA5 were generated relative to tornado events. The distribution of the reported tornadoes maximizes over the Argentine plains, while events are rare close to the Andes and south of Sierras de Córdoba. Events are relatively common in all seasons except in winter. Proximity environment evolution shows enhanced instability, deep-layer vertical wind shear, storm-relative helicity, reduced convective inhibition, and a lowered lifting condensation level before or during the development of tornadic storms in SESA. No consistent signal in low-level wind shear is seen during tornado occurrence. However, a curved hodograph with counterclockwise rotation is present. The Significant Tornado Parameter (STP) is also maximized prior to tornadogenesis, most strongly associated with enhanced CAPE. Differences in the convective environment between tornadoes in SESA and the U.S. Great Plains are discussed. On the synoptic scale, tornado events are associated with a strong anomalous trough crossing the southern Andes that triggers lee cyclogenesis, subsequently enhancing the South American low-level jet (SALLJ) that increases moisture advection to support deep convection. This synoptic trough also enhances vertical shear that, along with enhanced instability, sustains organized convection capable of producing tornadic storms. At planetary scales, the tornadic environment is modulated by Rossby wave trains that appear to be forced by convection near northern Australia. Madden–Julian oscillation phase 3 preferentially occurs 1–2 weeks ahead of tornado occurrence. Significance Statement The main goal of this study is to describe what atmospheric conditions (from local to global scales) are present prior to and during tornadic storms impacting southeast South America (SESA). Increasing potential for deep convection, wind shear, and potential for rotating updrafts, as well as reducing convective inhibition and cloud-base height, are predominant a few hours before and during the events in connection to low-level northerly winds enhancing moisture transport to the region. Remote convective activity near northern Australia appears to influence large-scale atmospheric circulation that subsequently triggers convective storms supporting tornadogenesis 1–2 weeks later in SESA. Our findings highlight the importance of accounting for atmospheric processes occurring at different scales to understand and predict tornado occurrences.

Meteorology & Atmospheric Sciences↗

Environmental Constraints that Limit Methanogenesis

Methanogens are active in many different ecosystems, including habitats with biologically-derived organic matter as substrates such as aquatic sediments, wetlands, agricultural or natural soils subject to inundation, sewage digesters, and the anoxic portions of animal digestive tracts. Methanogens are also present in habitats with geochemically-supplied substrates such as hot springs, hydrothermal vents, volcanically-influenced habitats, and, potentially, the deep crustal subsurface. Methanogens as a group tolerate a broad range of physicochemical conditions, including temperatures from -2 to 122°C, pH values of 3.0 to 10.2, salinities up to halite saturation, and pressures of at least 75 MPa. Globally, variations in methane emissions can be explained to a large degree by variations in temperature and water availability. The distribution and activity of methanogens are constrained by ecological interactions that can be stimulatory or competitive, and by physicochemical factors that act at the biochemical or bioenergetic levels. In addition to the constraints placed on methanogens by physicochemical extremes, methanogen distribution and activity are constrained by the availability of energy and nutrients, the presence of inhibitory molecules (most notably oxygen), and the seawater anion, sulfate, due to competitive ecological interactions. Although methanogen tolerances to individual extremes are documented in culture, and the corresponding biochemical adaptations are understood to varying degrees, the natural environment frequently presents combinations of extreme conditions and energy limitations that may limit methanogen distribution to less than the optimally tolerated range of a single parameter. Little is understood about the compound effects of such extremes, nor the commonalities among them that will ultimately form the basis for predictive models of environmental methanogen population distribution. Future work that targets these questions, through a combination of culture work, “omic” analyses, in situ studies, and conceptual and quantitative models, will be needed to better understand the physiological ecology of methanogens.

54 ENVIRONMENTAL SCIENCES↗

Development of a deep machine learning interatomic potential for metalloid-containing Pd-Si compounds

Interatomic potentials based on neural-network machine learning (ML) approach to address the long-standing challenge of accuracy versus efficiency in molecular-dynamics simulations have recently attracted a great deal of interest. In this work, utilizing Pd-Si system as a prototype, we extend the development of neural-network ML potentials to compounds exhibiting various types of bonding characteristics. The ML potential is trained by fitting to the energies and forces of both liquid and crystal structures first-principles calculations based on density-functional theory (DFT). We show that the generated ML potential captures the structural features and motifs in Pd 82 Si 18 and Pd 75 Si 25 liquids more accurately than the existing interatomic potential based on embedded-atom method (EAM). The ML potential also describes the solid-liquid interface of these systems very well. Moreover, while the existing EAM potential fails to describe the relative energies of various crystalline structures and predict wrong ground-state structures at Pd 3 Si and Pd 9 Si 2 composition, the developed ML potential predicts correctly the ground-state structures from genetic algorithm search. The efficient ML potential with DFT accuracy from our study will provide a promising scheme for accurate atomistic simulations of structures and dynamics of complex Pd-Si system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synchrotron-Based Micro-CT Investigation of Oxic Corrosion of Copper-Coated Carbon Steel for Potential Use in a Deep Geological Repository for Used Nuclear Fuel

Within the multi-barrier system proposed for the permanent disposal of used nuclear fuel, the primary engineered barrier is the sealed metallic container. The present Canadian container design utilizes a carbon steel vessel coated with Cu for corrosion protection. In the event of a defect in the Cu coating that exposes the steel substrate, galvanically accelerated corrosion of steel is, in principle, possible. In this work, the progression of corrosion at a simulated through-coating defect in 3.0 mol/L NaCl solution containing dissolved O2 was monitored using electrochemical measurements and imaged non-destructively using synchrotron X-ray micro computed tomography (micro-CT). The damage volume at the base of the simulated defect was measured from the 3D micro-CT data and used to calculate the amount of O2 used to drive steel corrosion. The results demonstrate that the availability of O2 determines the rate and overall extent of corrosion, while the coatings produced using different deposition and treatment methods (cold spray deposition, heat-treated cold spray deposition, electrodeposition) lead to different corrosion propagation geometries, with the distribution of damage depending on the quality of the Cu/steel interface.

Standish, Thalia↗