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At least 73 records · Page 4

Simulation tools, first results and experimental status of the MURAVES experiment

The MUon RAdiography of VESuvius (MURAVES) project aims at the study of Mt. Vesuvius, an active and hazardous volcano near Naples, Italy, with the use of muons freely and abundantly produced by cosmic rays. In particular, the MURAVES experiment intends to perform muographic imaging of the internal structure of the summit of Mt. Vesuvius. The challenging measurement of the rock density distribution in its summit by muography, in conjunction with data from other geophysical techniques, can help model possible eruption dynamics. The MURAVES apparatus consists of an array of three independent and identical muon trackers, with a total sensitive area of 3 square meters. In each tracker, a sequence of 4 XY tracking planes made of plastic scintillators is complemented by a 60 cm thick lead wall inserted between the two downstream planes to improve rejection of background from low energy muons. The apparatus is currently acquiring data. This paper presents preliminary results from the analysis of the first data samples acquired with trackers pointing towards Mt. Vesuvius, including the first relative measurement of the density projection of two flanks of the volcano at three different altitudes; we also present the workflow of the simulation chain of the MURAVES experiment and its ongoing developments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE provides targeted technical assistance for manufacturers pursuing energy and resource efficiency

The U.S. Department of Energy (DOE) is committed to providing the industrial sector with resources and funding to support the development of innovative new technologies and processes. Previously, DOE’s Advanced Manufacturing Office was the front door of the department for many manufacturers. This office focused on two main missions: driving innovation in manufacturing technologies, and reducing energy and emissions related to manufacturing. These missions complemented each other in many ways, but as attention in these areas grew, so too did the need for specialization. In October 2022, the Advanced Manufacturing Office was reorganized into two new offices: the Advanced Materials and Manufacturing Technologies Office (AMMTO) and the Industrial Efficiency and Decarbonization Office (IEDO). For emissions-heavy industries, such as ceramics and glass, the latter office provides research and development funding, technical assistance, and demonstration support to help manufacturers along their journey to reduce emissions and increase resource efficiency. This article overviews the portfolio of resources applicable to ceramic and glass manufacturers through IEDO, including programs that were portioned into this office during the split and new offerings that were added since then. These programs and resources include energy management support, technology-specific guidance, and in-plant technical assistance.

Source record↗

Cooling dynamics of two titanium alloys during laser powder bed fusion probed with in situ X-ray imaging and diffraction

Metal parts produced by laser powder bed fusion (LPBF) additive manufacturing exhibit characteristic microstructures comparable to those observed in laser welding. The primary cause of this characteristic microstructure is rapid, localized heating and cooling cycles, which result in extreme thermal gradients where material solidification is followed by fast cooling in the solid state. The final microstructure and mechanical performance are also influenced by pore formation caused by melt pool fluid dynamics. Here, we use high speed, in situ X-ray diffraction to probe the kinetics of cooling and solid-solid phase transitions after laser melting in two aerospace titanium alloys: Ti-6Al-4V, an α + β alloy; and Ti-5Al-5V-5Mo-3Cr, a near-β alloy. We complement these diffraction studies with in situ X-ray imaging to probe melt pool dynamics and pore formation. From these two complementary probes, we quantify pore formation during melting and the subsequent microstructural evolution as the material rapidly cools after solidification. These results are critical for understanding defect formation and residual stress development in different titanium alloys under LPBF conditions and can help inform process models to predict final part performance.

36 MATERIALS SCIENCE↗

Quantum Noise Spectroscopy of Dynamical Critical Phenomena

The transition between distinct phases of matter is characterized by the nature of fluctuations near the critical point. We demonstrate that noise spectroscopy can not only diagnose the presence of a phase transition, but can also determine fundamental properties of its criticality. In particular, by analyzing a scaling collapse of the decoherence profile, one can directly extract the critical exponents of the transition and identify its universality class. Our approach naturally captures the presence of conservation laws and distinguishes between classical and quantum phase transitions. In the context of quantum magnetism, our proposal complements existing techniques and provides a novel toolset optimized for interrogating two-dimensional magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Postdisaster Routing of Movable Energy Resources for Enhanced Distribution System Resilience: A Deep Reinforcement Learning-Based Approach

The deployment of movable energy resources (MERs) can be an effective strategy to restore critical loads to enhance power system resilience when no other energy sources are available after the occurrence of an extreme event. Since the optimal locations of MERs following an extreme event are dependent on system operating states (e.g., the loads at each node, on/off status of system branches, and so on), existing analytical and population-based approaches must repeat the entire analysis and calculation when the system operating states change. On the contrary, if deep reinforcement learning (DRL)-based algorithms are sufficiently trained with a wide range of scenarios, they can quickly find optimal or near-optimal locations irrespective of changes in system states. A deep Q-learning-based approach is proposed for optimal MER deployment to enhance power system resilience. MERs can be also utilized to complement other types of resources, if available. The proposed approach operates in two stages after the occurrence of extreme events. In the first stage, the distribution network is represented as a graph, and the network is then reconfigured using tie switches by using Kruskal’s spanning forest search algorithm (KSFSA). To maximize critical load recovery, the optimal or near-optimal locations of MERs are chosen in the second stage. Further, case studies on a 33-node distribution system and a modified IEEE 123-node system demonstrate the effectiveness of the proposed approach for postdisaster routing of MERs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Modular polyketide synthase contains two reaction chambers that operate asynchronously

Type I modular polyketide synthases are homodimeric multidomain assembly line enzymes that synthesize a variety of polyketide natural products by performing polyketide chain extension and β-keto group modification reactions. We determined the 2.4-angstrom-resolution x-ray crystal structure and the 3.1-angstrom-resolution cryo–electron microscopy structure of the Lsd14 polyketide synthase, stalled at the transacylation and condensation steps, respectively. These structures revealed how the constituent domains are positioned relative to each other, how they rearrange depending on the step in the reaction cycle, and the specific interactions formed between the domains. Like the evolutionarily related mammalian fatty acid synthase, Lsd14 contains two reaction chambers, but only one chamber in Lsd14 has the full complement of catalytic domains, indicating that only one chamber produces the polyketide product at any given time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Piperitone ( p -Menth-1-En-3-One): A New Repellent for Tea Shot Hole Borer (Coleoptera: Curculionidae) in Florida Avocado Groves

The tea shot hole borer, Euwallacea perbrevis, has been recently established in Florida, USA, where it vectors fungal pathogens that cause Fusarium dieback in avocado. Pest monitoring uses a two-component lure containing quercivorol and α-copaene. Incorporation of a repellent into IPM programs may reduce the incidence of dieback in avocado groves, particularly if combined with lures in a push–pull system. This study evaluated piperitone and α-farnesene as potential repellents for E. perbrevis, comparing their efficacy to that of verbenone. Replicate 12-week field tests were conducted in commercial avocado groves. Each test compared beetle captures in traps baited with two-component lures versus captures in traps containing lures plus repellent. To complement field trials, Super-Q collections followed by GC analyses were performed to quantify emissions from repellent dispensers field-aged for 12 weeks. Electroantennography (EAG) was also used to measure beetle olfactory response to each repellent. Results indicated that α-farnesene was ineffective; however, piperitone and verbenone were comparable in repellency, achieving 50–70% reduction in captures, with longevity of 10–12 weeks. EAG responses to piperitone and verbenone were equivalent, and significantly greater than response to α-farnesene. Since piperitone is less expensive than verbenone, this study identifies a potential new E. perbrevis repellent.

59 BASIC BIOLOGICAL SCIENCES↗

Single‐parent expression drives dynamic gene expression complementation in maize hybrids

SUMMARY Single‐parent expression (SPE) is defined as gene expression in only one of the two parents. SPE can arise from differential expression between parental alleles, termed non‐presence/absence (non‐PAV) SPE, or from the physical absence of a gene in one parent, termed PAV SPE. We used transcriptome data of diverse Zea mays (maize) inbreds and hybrids, including 401 samples from five different tissues, to test for differences between these types of SPE genes. Although commonly observed, SPE is highly genotype and tissue specific. A positive correlation was observed between the genetic distance of the two inbred parents and the number of SPE genes identified. Regulatory analysis showed that PAV SPE and non‐PAV SPE genes are mainly regulated by cis effects, with a small fraction under trans regulation. Polymorphic transposable element insertions in promoter sequences contributed to the high level of cis regulation for PAV SPE and non‐PAV SPE genes. PAV SPE genes were more frequently expressed in hybrids than non‐PAV SPE genes. The expression of parentally silent alleles in hybrids of non‐PAV SPE genes was relatively rare but occurred in most hybrids. Non‐PAV SPE genes with expression of the silent allele in hybrids are more likely to exhibit above high parent expression level than hybrids that do not express the silent allele, leading to non‐additive expression. This study provides a comprehensive understanding of the nature of non‐PAV SPE and PAV SPE genes and their roles in gene expression complementation in maize hybrids.

Li, Zhi↗

Carbon Footprint Analysis of Floating PV Systems

This report, conducted by the Dutch research organization TNO, presents the first detailed life cycle inventory (LCI) analysis of operational floating photovoltaic (FPV) systems. The study, focusing on two operational systems in Western Europe, reveals that FPV systems on small inland water bodies can be a valuable complement to ground-mounted PV systems in terms of greenhouse gas emissions reduction. If PV module degradation is limited, these systems' carbon footprint is 3-4 times lower than the EU grid mix target for 2030. The report compares two FPV systems with different floater compositions (HDPE and steel/HDPE) to hypothetical ground-mounted systems, using comprehensive background data. The findings highlight the necessity for long-term monitoring and thorough environmental assessments. Josco Kester, a scientist at TNO, underscores the potential environmental benefits of these systems, which could enhance the adoption of renewable energy technologies.

14 SOLAR ENERGY↗

Sodium diffusion in heterogeneous porous media: Connecting laboratory experiments and simulations

Sodium has been suggested as a tracer for brine in reservoir formations where a significant amount of sodium ion is found mainly in the aqueous phase. Fortunately, the most abundant sodium isotope, 23 Na, is Nuclear Magnetic Resonance (NMR) active, making it possible to study the structure and dynamical properties of both bulk and pore confined fluid systems. We investigated the diffusion of key dissolved sodium species in bulk solution and porous media as a function of composition, ionic strength, and permeability of the carbonate samples using NMR relaxometry and pulsed-field gradient (PFG) NMR techniques. We use Indiana limestone as an example of natural porous media and water as a freely diffusible tracer and carrier. We demonstrate apparent diffusion measurement of sodium based on changes in spin–spin relaxation time (T 2 ) signal in pore confinement. The diffusion rate of sodium decreases with increasing counter-ion size. This effect is greater at higher ionic strengths and lower chemical potentials in porous media. The reactive transport code, CrunchFlow, was used to complement the NMR experiments to simulate diffusion behavior in porous media. Combining these two methods provides a powerful approach to estimating effective diffusion coefficients in heterogeneous matrices. The modeling considers the influence of physical properties (porosity and tortuosity) and chemical properties (geochemical composition and chemical gradients). The results presented in this work highlight the advantage of measuring apparent diffusivity using NMR T 2 relaxometry in conjunction with numerical simulation to derive effective diffusivity and the corresponding matrix properties (i.e., tortuosity) of the system.

58 GEOSCIENCES↗

Two novel fish paralogs provide insights into the Rid family of imine deaminases active in pre-empting enamine/imine metabolic damage

Reactive Intermediate Deaminase (Rid) protein superfamily includes eight families among which the RidA is conserved in all domains of life. RidA proteins accelerate the deamination of the reactive 2-aminoacrylate (2AA), an enamine produced by some pyridoxal phosphate (PLP)-dependent enzymes. 2AA accumulation inhibits target enzymes with a detrimental impact on fitness. As a consequence of whole genome duplication, teleost fish have two ridA paralogs, while other extant vertebrates contain a single-copy gene. We investigated the biochemical properties of the products of two paralogs, identified in Salmo salar. Ss RidA-1 and Ss RidA-2 complemented the growth defect of a Salmonella enterica ridA mutant, an in vivo model of 2AA stress. In vitro, both proteins hydrolyzed 2-imino acids (IA) to keto-acids and ammonia. Ss RidA-1 was active on IA derived from nonpolar amino acids and poorly active or inactive on IA derived from other amino acids tested. In contrast, SsRidA-2 had a generally low catalytic efficiency, but showed a relatively higher activity with IA derived from L-Glu and aromatic amino acids. The crystal structures of Ss RidA-1 and Ss RidA-2 provided hints of the remarkably different conformational stability and substrate specificity. Overall, Ss RidA-1 is similar to the mammalian orthologs whereas SsRidA-2 displays unique properties likely generated by functional specialization of a duplicated ancestral gene.

59 BASIC BIOLOGICAL SCIENCES↗

Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules to shortlist lead compounds for antiviral drug development. New opportunities to accelerate drug discovery lie at the interface between machine learning methods, in this case, developed for linear accelerators, and physics-based methods. The two in silico methods, each have their own advantages and limitations which, interestingly, complement each other. Here, we present an innovative infrastructural development that combines both approaches to accelerate drug discovery. The scale of the potential resulting workflow is such that it is dependent on supercomputing to achieve extremely high throughput. We have demonstrated the viability of this workflow for the study of inhibitors for four COVID-19 target proteins and our ability to perform the required large-scale calculations to identify lead antiviral compounds through repurposing on a variety of supercomputers.

97 MATHEMATICS AND COMPUTING↗

Active Activation Diagnostics for High Energy X-ray and Neutron Measurements

Nuclear activation is a vital tool for diagnosing the properties of high-energy particles and photons. We investigate several potential reactions and suitable activation materials that could be used to simultaneously measure both neutrons and high-energy bremsstrahlung x-rays using one detector. Such a diagnostic would be valuable and practical for several facilities capable of creating such high-energy neutrons and x-rays. Laser-generated sources, such as NIF(-ARC) or Omega(-EP), have been shown to be capable of creating high-energy x-rays via high-intensity laser interactions and neutrons via DT fusion reactions. Furthermore, current laser technology is driving the demand for higher repetition rate diagnostics, hence we further constrain reaction/activation selections to accommodate high-repletion rate experiments. Our investigation will concentrate on identifying potential short half-life activation materials associated with high-energy x-ray reactions that could be incorporated into the existing realtime neutron activation detectors (RTNADs), an array of 48 activation detectors positioned around the NIF target chamber used to measure the DT neutron yield isotropy. We have identified two materials, gold and neodymium, that appear to be the best candidates to complement the RTNADs, by adding a new high-energy x-ray measurement capability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Observable-projected ensembles

Measurements in many-body quantum systems can generate non-trivial phenomena, such as preparation of long-range entangled states, dynamical phase transitions, or measurement-altered criticality. Here, we introduce a new measurement scheme that produces an ensemble of mixed states in a subsystem, obtained by measuring a local Hermitian observable on part of its complement. We refer to this as the observable-projected ensemble . Unlike standard projected ensembles-where pure states are generated by projective measurements on the complement-our approach involves projective partial measurements of specific observables. This setup has two main advantages: theoretically, it is amenable to analytical computations, especially within conformal field theories. Experimentally, it requires only a linear number of measurements, rather than an exponential one, to probe the properties of the ensemble. As a first step in exploring the observable-projected ensemble, we investigate its entanglement properties in conformal field theory and perform a detailed analysis of the free compact boson.

Milekhin, Alexey [California Institute of Technolo↗

Understanding the Golden Eagle and Bald Eagle Sensory Worlds to Enhance Detection and Response to Wind Turbines

Golden Eagles (Aquila chrysaetos) and Bald Eagles (Haliaeetus leucocephalus) are known to be involved in collisions with wind turbines. Our primary goal of this project was to characterize the auditory and visual physiology of Golden and Bald Eagles with the ultimate intention of providing this information to engineers for the development of novel deterrent systems. These systems can be used to reduce the risk of eagle collisions with turbines by alerting eagles to the presence of wind turbines so that they may change course, or deterring them from approaching turbines while operational. We proposed a two-phase research project. First, we needed to know basic eagle sensory physiology to develop effective multimodal (auditory and visual) stimuli tuned to eagle’s specific sensory capabilities. Second, we complemented the first phase of the project by running behavioral tests of prototype stimuli in wildlife rehabilitation centers to determine the responses of eagles. These two stages were necessary to ensure that the stimuli characteristics were not only conspicuous to the Golden and Bald Eagle’s sensory systems, but also generated the intended response when flying near wind turbines (e.g. enhanced detection).

17 WIND ENERGY↗

The Function of Two Radical‐SAM Enzymes, HcgA and HcgG, in the Biosynthesis of the [Fe]‐Hydrogenase Cofactor

Abstract In the biosynthesis of the iron‐guanylylpyridinol (FeGP) cofactor, 6‐carboxymethyl‐5‐methyl‐4‐hydroxy‐2‐pyridinol ( 1 ) is 3‐methylated to form 2 , then 4‐guanylylated to form 3 , and converted into the full cofactor. HcgA‐G proteins catalyze the biosynthetic reactions. Herein, we report the function of two radical S ‐adenosyl methionine enzymes, HcgA and HcgG, as uncovered by in vitro complementation experiments and the use of purified enzymes. In vitro biosynthesis using the cell extract from the Methanococcus maripaludis Δ hcgA strain was complemented with HcgA or precursors 1 , 2 or 3 . The results suggested that HcgA catalyzes the biosynthetic reaction that forms 1 . We demonstrated the formation of 1 by HcgA using the 3 kDa cell extract filtrate as the substrate. Biosynthesis in the Δ hcgG system was recovered by HcgG but not by 3 , which indicated that HcgG catalyzes the reactions after the biosynthesis of 3 . The data indicated that HcgG contributes to the formation of CO and completes biosynthesis of the FeGP cofactor.

Arriaza‐Gallardo, Francisco J.↗

The Function of Two Radical‐SAM Enzymes, HcgA and HcgG, in the Biosynthesis of the [Fe]‐Hydrogenase Cofactor

Abstract In the biosynthesis of the iron‐guanylylpyridinol (FeGP) cofactor, 6‐carboxymethyl‐5‐methyl‐4‐hydroxy‐2‐pyridinol ( 1 ) is 3‐methylated to form 2 , then 4‐guanylylated to form 3 , and converted into the full cofactor. HcgA‐G proteins catalyze the biosynthetic reactions. Herein, we report the function of two radical S ‐adenosyl methionine enzymes, HcgA and HcgG, as uncovered by in vitro complementation experiments and the use of purified enzymes. In vitro biosynthesis using the cell extract from the Methanococcus maripaludis Δ hcgA strain was complemented with HcgA or precursors 1 , 2 or 3 . The results suggested that HcgA catalyzes the biosynthetic reaction that forms 1 . We demonstrated the formation of 1 by HcgA using the 3 kDa cell extract filtrate as the substrate. Biosynthesis in the Δ hcgG system was recovered by HcgG but not by 3 , which indicated that HcgG catalyzes the reactions after the biosynthesis of 3 . The data indicated that HcgG contributes to the formation of CO and completes biosynthesis of the FeGP cofactor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The hazard components of representative key risks. The physical climate perspective

The framework of Representative Key Risks (RKRs) has been adopted by the Intergovernmental Panel on Climate Change Working Group II in order to categorize, assess and communicate a wide range of regional and sectoral key risks, expected to become severe as a consequence of the potentially detrimental convergence of changing climate conditions, exposure and vulnerability of human and natural systems, and responses through (mal)adaptation measures. Other papers in this special issue treat each of eight RKRs by holistically assessing their current status and future evolution as a result of this convergence. However, their treatment cannot always organize such assessment according to a systematic gradation of climatic changes, often times having to extrapolate the big-picture evolution of risk from either qualitative effects of “low” medium” and “high” warming, or limited/focused analysis of the consequences of particular mitigation choices (e.g., benefits of limiting warming to 1.5 or 2C). In this study we offer as systematic a representation as possible – given current literature and assessments – of the future evolution of the hazard components of RKRs. We draw on the assessment of changes in climatic impact-drivers relevant to RKRs described in the 6th Assessment Report by Working Group 1 (WGI) supplemented when needed by more recent literature. We identify the relevant hazards for each RKR, based upon the WGII authors’ assessment, and we report on their current state and expected future changes in magnitude, intensity and/or frequency, linking these changes to Global Warming Levels to the extent possible. For some of these quantities - like regional trends in oceanic and atmospheric temperature and precipitation, some heat and precipitation extremes, permafrost thaw and Northern Hemisphere snow cover - a strong and quantitative relationship with global average temperature change has been assessed. For others - like frequency and intensity of tropical cyclones and extra-tropical storms, and fire weather - the link to increasing global temperatures can only be described qualitatively. For some processes - like the behavior of ice-sheets, or changes in circulation dynamics - large uncertainties about the effects of different levels of warming remain, and for a few others - like ocean pH and air pollution - the composition of the scenario of anthropogenic emissions is most relevant, rather than the warming reached. In almost all cases, however, the basic message remains that every small increment in CO2 concentration in the atmosphere and associated warming will bring changes in climate phenomena that will contribute to increasing risk of impacts on human and natural systems when these changes happen in conjunction with these systems’ conditions of exposure and vulnerability, and in lack of effective adaptation. Our picture of the evolution of RKR-relevant climatic impact-drivers complements and enriches the treatment of RKRs in the other papers in at least two ways: by filling in an often only cursory or limited representation of the physical climate aspects driving impacts, and by providing a fuller representation of their future possible evolution which represents an important component – if never the only one – of the potential future evolution of risk severity.

54 ENVIRONMENTAL SCIENCES↗