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At least 541 records · Page 30

Who Is Metabolizing What? Discovering Novel Biomolecules in the Microbiome and the Organisms Who Make Them

Even as the field of microbiome research has made huge strides in mapping microbial community composition in a variety of environments and organisms, explaining the phenotypic influences on the host by microbial taxa – both known and unknown – and their specific functions still remain major challenges. A pressing need is the ability to assign specific functions in terms of enzymes and small molecules to specific taxa or groups of taxa in the community. This knowledge will be crucial for advancing personalized therapies based on the targeted modulation of microbes or metabolites that have predictable outcomes to benefit the human host. This perspective article advocates for the combined use of standards-free metabolomics and activity-based protein profiling strategies to address this gap in functional knowledge in microbiome research via the identification of novel biomolecules and the attribution of their production to specific microbial taxa.

59 BASIC BIOLOGICAL SCIENCES↗

A Privacy-Preserving Strategy for the Trust Layer of the Energy Grid of Things Distributed Energy Resource Management System

Emergent from the shadows of the traditional grid flaws, the Smart Grid (SG) idea was born and led by government mandates toward cleaner energy production. The SG represents the next generation of electricity distribution systems that subsume recent technological innovations. It uses digital communication between its components and entities to attain more automation, self-sufficiency, and reliability. Unfortunately, this relatively new concept is not flawless; the intrinsic reliance on increased digital communication spreads open attack paths for adversaries. Therefore, finding solutions that address information exchange vulnerabilities has become imperative. The Energy Grid of Things (EGoT) is Portland State University’s (PSU’s) implementation of a Distributed Energy Resource Management System (DERMS). The EGoT DERMS requires access to customers’ information to achieve operational objectives. The system’s access to customers’ information needs to be restricted such that it does not violate customers’ privacy. Applying privacy protection models such as K-anonymity to EGoT DERMS sub-components safeguards that privacy. This thesis work proposes a strategy to ensure communication in the EGoT DERMS is privacy-preserving and secure. Specifically, it provides an approach to applying the Mondrian Algorithm to ensure data within the system excludes Personally Identifiable Information (PII) and provides means for securing the communication according to industry standards (IEEE 2030.5). Results suggest that the generalization hierarchy derived for the EGoT DERMS exhibits an Identical Generalization Hierarchy structure. Guarantees of sameness manifested in the test feeder topology would not hold in real-world scenarios. This thesis work proposes a strategy to ensure communication in the EGoT DERMS is privacy-preserving and secure. Specifically, it provides an approach to applying the Mondrian Algorithm to ensure data within the system excludes Personally Identifiable Information (PII) and provides means for securing the communication according to industry standards (IEEE 2030.5). Results suggest that the generalization hierarchy derived for the EGoT DERMS exhibits an Identical Generalization Hierarchy structure. Guarantees of sameness manifested in the test feeder topology would not hold in real-world scenarios.

Alsiad, Mohammed↗

A709 Procurement and ASTM Specification Status

This is a presentation regarding A709 Procurement and ASTM Specification Status for the Joint ART Materials/AMMT Program Review meeting. The A709 team consists of Argonne National Laboratory, Idaho National Laboratory, Oak Ridge National Laboratory, and Subject matter expert John Grubb and Richard Wright. Discussion topics will discuss incorporation of 709 into ASTM Standard A 240 for plate material in the solution annealed condition with a precipitation treatment as a supplemental requirement is underway, Incorporation of Alloy 709 into ASME, Section II, Specification SA 240 will be made upon the completion of the ASTM task, The required commercial scale heats of Alloy 709 for property characterization to provide the technical basis for Code qualification have been procured, and Laboratory testing of properties from these three heats is underway as will be discussed separately at this review meeting.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Future accelerator projects: new physics at the energy frontier

High-energy colliders provide direct access to the energy frontier, allowing to search for new physics at scales as high as the machine’s center-of-mass energy, perform precision measurements of the Standard Model (SM) parameters, including those related to the flavor sector, and determine the Higgs boson properties and their connection to electroweak symmetry breaking. Each proposed future collider option has its own specific science goals and capabilities, depending on the designed running energy (energies) amongst other parameters. In this paper, an overview of the discovery potential of future circular and linear colliders is presented. Results from searches for beyond the Standard Model (BSM) phenomena at proton–proton, proton–electron, electron–positron, and muon–antimuon colliders are summarized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Challenges in predicting protein-protein interactions of understudied viruses: Arenavirus-human interactions

Understanding protein-protein interactions (PPIs) between viruses and host organisms is crucial for uncovering infection mechanisms and identifying potential therapeutic targets. The ability to generalize PPI predictive models across understudied viruses presents a significant challenge. In this work, we use arenavirus-human PPIs to illustrate the difficulties associated with model generalization, which are compounded by a lack of both positive and negative data. We employ a Transfer Learning approach to investigate arenavirus-human PPIs by utilizing models trained on better-studied virus-human and human-human PPIs. Additionally, we curate and assess four types of negative sampling datasets to evaluate their impact on model performance. Despite the overall high accuracies (93–99 %) and AUPRC scores (0.8–0.9) appearing promising, further analysis indicates that these performance metrics can be misleading due to data leakage, data bias, and overfitting, especially concerning under-represented viral proteins. We reveal these gaps and assess the impact of data imbalance using standard k-fold cross-validation and Independent Blind Testing with a Balanced Dataset, resulting in a drop in accuracy below 50 %. We propose a viral protein-specific evaluation framework that categorizes viral proteins into majority and minority classes based on their representation in the dataset, enabling comparison of model performance across these groups using balanced accuracies. This framework offers a more robust evaluation of model generalizability, addressing biases inherent in standard evaluation techniques and paving the way for more reliable PPI prediction models for understudied viruses.

59 BASIC BIOLOGICAL SCIENCES↗

How macroscopic limits on neutron-star baryon loss yield microscopic limits on non-standard-model baryon decay

We investigate how our baryon-loss limits from anomalous binary-pulsar period lengthening can be interpreted microscopically to yield specific constraints on the particle physics of baryon number violation within a neutron star. We focus on the possibility of anomalous baryon disappearance via dark baryon processes and on scenarios in which the produced dark-sector particles do not survive to influence the response of the star to baryon-number-violating effects. We flesh out the conditions for which this may occur, as well as other key assumptions. We then turn to the analysis of particle processes in the dense nuclear medium found at the core of a neutron star, employing the techniques of relativistic mean-field theory. Using our study of in-medium effects and limits on macroscopic baryon number violation, we extract limits on in-vacuum baryon-number-violating processes, and we determine them for various equations of state. We conclude by noting the implications of our results for models of dark-sector-enabled baryogenesis. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

FEM Modeling and Simulation of 2-D High Specific Heat Nb 3 Sn Wires

In the past few years, new high specific heat Nb 3 Sn wires have gained much focus at FNAL. Indeed, they have proved to be more stable against thermal perturbations with respect to standard wires. Nevertheless, a trade off exists between their thermal efficiency and production feasibility. In this report I describe the thermal and structural models that I have developed by exploiting ANSYS Mechanical APDL ® , which I got acquainted with at the beginning of my training. The aim has been to optimize the location of high specific heat elements in order to obtain an optimal thermal stability, while minimizing the risk of wire breakage during drawing. FEM results are compared with experimental ones made beforehand. Other minimum quench energy (MQE) thermal models have been developed for expected new experimental results. New data may improve the understanding of the embedded physical uncertainties in the model.

36 MATERIALS SCIENCE↗

Improved Method for Evaluating and Specifying the Chromaticity of Light Sources

This article recommends a method for calculating and specifying light source chromaticity using the CIE 2015 10° color matching functions (CMFs), which, according to analysis of existing psychophysical experiment data, can reduce visual mismatch compared to specifications based on the traditional CIE 1931 2° CMFs. Specifically, this work evaluates, documents, and recommends for adoption a supporting system of measures to be used with the CIE 2015 10° CMFs: a new uniform chromaticity scale (UCS) diagram with coordinates (s, t), a measure of correlated color temperature (CCTst), and a measure of distance from the Planckian locus (Dst). It also presents options for updating nominal classification quadrangles. A complete method of this nature has not yet been standardized, which may be contributing to the slow uptake of the CIE 2015 CMFs. The proposed tools are analogous to u, v, CCT, Duv, and the ANSI C78.377 nominal classification quadrangles that are currently specified in the CIE 1960 UCS using the CIE 1931 2° CMFs. While conceptually equivalent, the differences between the current standard method and the new st system are important for reducing unintended mismatch in the chromaticity of light. Furthermore, the implications of changing chromaticity specification methods are identified by a comparison over a diverse set of real light source SPDs. Finally, as a step toward improving the design and specification of light sources for illumination purposes, we propose a process for implementing the recommendations.

42 ENGINEERING↗

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics

Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a specific photophysical or photochemical problem, selecting the most suitable theoretical approach from the wide array of available techniques is not a trivial task. The challenge is further complicated by the lack of systematic method comparisons and rigorous testing on realistic molecular systems. This absence of comprehensive molecular benchmarks remains a major obstacle to advances within the field of nonadiabatic molecular dynamics. A CECAM workshop, Standardizing Nonadiabatic Dynamics: Towards Common Benchmarks, was held in May 2024 to address this issue. This Perspective highlights the key challenges identified during the workshop in defining molecular benchmarks for nonadiabatic dynamics. Specifically, this work outlines some preliminary observations on essential components needed for simulations and proposes a roadmap aiming to establish, as an ultimate goal, a community-driven, standardized molecular benchmark set.

36 MATERIALS SCIENCE↗

Versatile recognition of graphene layers from optical images under controlled illumination through green channel correlation method

In this study, a simple yet versatile method is proposed for identifying the number of exfoliated graphene layers transferred on an oxide substrate from optical images, utilizing a limited number of input images for training, paired with a more traditional number of a few thousand well-published Github images for testing and predicting. Two thresholding approaches, namely the standard deviation-based approach and the linear regression-based approach, were employed in this study. The method specifically leverages the red, green, and blue color channels of image pixels and creates a correlation between the green channel of the background and the green channel of the various layers of graphene. This method proves to be a feasible alternative to deep learning-based graphene recognition and traditional microscopic analysis. The proposed methodology performs well under conditions where the effect of surrounding light on the graphene-on-oxide sample is minimum and allows rapid identification of the various graphene layers. Here, the study additionally addresses the functionality of the proposed methodology with nonhomogeneous lighting conditions, showcasing successful prediction of graphene layers from images that are lower in quality compared to typically published in literature. In all, the proposed methodology opens up the possibility for the non-destructive identification of graphene layers from optical images by utilizing a new and versatile method that is quick, inexpensive, and works well with fewer images that are not necessarily of high quality.

36 MATERIALS SCIENCE↗

Cross‐Cultural Validation of the Binge Eating Disorder Screener‐7 ( BEDS ‐7) Across 42 Countries

ABSTRACT Objective This study aimed to evaluate the reliability and validity of the Binge Eating Disorder Screener‐7 (BEDS‐7) across 42 countries and 26 languages, assessing its reliability and validity as a screening tool for binge‐eating disorder (BED) in diverse cultural contexts. Specifically, it sought to enhance early recognition of BED symptoms in primary care settings globally, contributing to a standardized framework for assessing BED. Method The International Sex Survey, a cross‐sectional online study, was conducted in 42 countries and 26 languages. A diverse community sample of 82,243 participants, aged 18 years or older, completed the BEDS‐7 and measures of sexuality, mental health, substance use, and sociodemographic characteristics. Confirmatory factor analyses and tests of measurement invariance were employed to evaluate the reliability and validity of the BEDS‐7 across languages, countries, genders, and sexual orientations. Results The BEDS‐7 demonstrated scalar factorial invariance across languages and countries, indicating consistent factor loadings and item intercepts. In contrast, the screener showed residual invariance across gender and sexual orientation groups, supporting its robustness across these demographics. Kruskal–Wallis tests revealed significant differences in BED symptoms across languages, countries, genders, and sexual orientations, with the highest BED scores observed among queer, pansexual, and gender‐diverse individuals. The BEDS‐7 also demonstrated adequate reliability (Cronbach's alpha > 0.80) and moderate criterion validity. Discussion The findings provide further evidence of the reliability and validity of the BEDS‐7 as a potential screening tool for identifying probable cases of BED globally, facilitating early intervention in primary care settings.

Gewirtz‐Meydan, Ateret [School of Social Work, Fac↗

Validated model of a thermoelectric heat pump clothes dryer using secondary pumped loops

The energy associated with clothes drying makes up 4% of the total residential electrical energy consumption in the US. The cost is high since most clothes dryers use electric resistance heating which is inexpensive but also energy inefficient. State-of-the-art vapor-compression heat pump clothes dryers offer significant energy savings but have limited market penetration in the US. Here, a new configuration of clothes dryer was studied that utilizes a solid-state thermoelectric heat pump with pumped secondary water loops and conventional fin-and-tube water-to-air heat exchangers. Experimental results are presented for the thermoelectric dryer prototype with a combined energy factor of 6.89 lb BDW /kWh (specific moisture extraction rate of 1.71 kg w /kWh) and a dry time of 84 min for a standard load size of 8.45 lb (3.83 kg) with 57.5% starting moisture content. This is a 85% energy efficiency improvement over baseline electric resistance dryers. The efficiency and drying time results achieved are similar to vapor compression heat pump dryers. Compared to previous air-based thermoelectric clothes dryers, the energy efficiency has been increased by 6%, but drying time has been reduced by as much as 47% using secondary pumped loops and separate heat exchangers, which represents a significant advancement in the technology. In addition to the experimental prototype, a model was also developed to study the performance. The model was validated against experimental prototype data and used to identify the range of performance (dry time and efficiency) that could be expected of the design.

42 ENGINEERING↗

Polymer, Additives, and Processing Effects on N95 Filter Performance

The current severe acute respiratory syndrome coronavirus 2 (SARS-COV-2) pandemic has highlighted the need for personal protective equipment, specifically filtering facepiece respirators like N95 masks. While it is common knowledge that polypropylene (PP) is the industry standard material for filtration media, trial and error is often required to identify suitable commercial precursors for filtration media production. This work aims to identify differences between several commercial grades of PP and demonstrate the development of N95 filtration media with the intent that the industry partners can pivot and help address N95 shortages. Three commercial grades of high melt flow index PP were melt blown at Oak Ridge National Laboratory and broadly characterized by several methods including differential scanning calorimetry (DSC), X-ray diffraction (XRD), and neutron scattering. Despite the apparent similarities (high melt flow and isotacticity) between PP feedstocks, the application of corona charging and charge enhancing additives improve each material to widely varying degrees. From the analysis performed here, the most differentiating factor appears to be related to crystallization of the polymer and the resulting electret formation. Materials with higher crystallization onset temperatures, slower crystallization rates, and larger number of crystallites form a stronger electret and are more effective at filtration.

36 MATERIALS SCIENCE↗

Electronic density of states of a U ( 1 ) quantum spin liquid with spinon Fermi surface. II. Zeeman magnetic field effects

The Zeeman effect lowers the energy of electrons with spin states which are antiparallel to the applied magnetic field but lifts that of spin parallel states. In quantum spin liquids where the spin and charge degrees of freedom are fractionalized, an anomalous Zeeman response may be expected. In the case of spin liquids with a spinon Fermi surface, the threshold energy to excite an electronic state is found to exhibit no Zeeman shift. This is specific to the spinon Fermi surface case. In contrast, other gapped spin liquids are expected to exhibit the standard Zeeman shift at the band edge even though they also exhibit spin-charge fractionalization. Further, when gauge-field fluctuations are included, we find that the Zeeman shift of the electronic states gets affected by the gauge field induced binding. In the electronic density of states spectra, weak gauge binding induces band-edge resonance peaks which exhibit the Zeeman shift in the same direction as that in the standard Zeeman effect, but the shift is reduced as the binding potential increases. With further increase in the binding potential, the resonance becomes true in-gap bound states and eventually the Zeeman shift direction reverses so it is opposite to the standard Zeeman effect. We propose that one can perform spin-polarized scanning tunneling microscope measurements as a test of the spinon Fermi sea ground state in quantum spin liquid candidate materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Recent Cryogenic Carbon Capture™ Field Test Results

Sustainable Energy Solutions (SES) has been developing Cryogenic Carbon Capture™ (CCC) since 2008. In that time, two processes have been developed, the External Cooling Loop and Compressed Flue Gas CCC processes (CCC-ECL and CCC-CFG, respectively). The CCC-ECL process cools the flue gas with an external refrigerant loop. This process currently captures up to 1 tonne of CO2 per day (TPD). SES has tested CCC-ECL on real flue gas slip streams from subbituminous coal, bituminous coal, biomass, natural gas, shredded tires, and municipal waste fuels at field sites that include utility power stations, heating plants, cement kilns, and pilot-scale research reactors. The CO2 concentrations from these tests ranged from 5 to 22% on a dry basis. CO2 capture ranged from 95-99+% during these tests. Several other condensable species were also captured including NO2, SO2 and PMxx at 95+%. NO was also captured at a modest rate. The CCC-CFG process has been scaled up to a 0.25 ton per day system. This system has been tested on real flue gas streams including subbituminous coal, bituminous coal, and natural gas at field sites that include utility power stations, heating plants, and pilot-scale research reactors. CO2 concentrations for these tests ranged from 5 to 15% on a dry basis. CO2 capture ranged from 95-99+% during these tests. Several other condensable species were also captured including NO2, SO2, and PMxx at 95+%. NO was also captured at 90+%. Hg capture was also verified and the resulting effluent from CCC-CFG was below a 1ppt concentration. This paper will focus on discussion of the capabilities of CCC generally, the results of CCC-ECL field testing, and future steps surrounding the development of this technology. Test results that will be presented have been collected during 9 months of testing at a commercial power plant under funding from the US Department of Energy (DOE) and the host utility. Testing of one of the systems at a commercial cement plant in the United States will also be discussed. During this testing, the system captured CO2 from the cement plant and stored the CO2 in pressurized tanks. These tanks were provided to a partner company that later used the CO2 in a CO2 utilization demonstration. The CO2 was utilized to cure concrete manufactured using cement from the same plant where the CO2 was captured. This integrated capture and utilization demonstration was the first time that the cement industry has shown in the field that it can sequester its CO2 emissions in its main product stream. This represents a potential game changing solution for industrial CO2 emissions. Operational data and host-site feedback indicate that the CCC process is ideally suited for deployment into a variety of commercial environments. A few areas of de-risking remain to make sure the technology can meet very strict industrial reliability standards. These areas of de-risking are identified and discussed. The product CO2 is shown to meet specification for many uses including industrial and merchant applications. The technology is nearing readiness for deployment at commercial scale and several initial target markets have been identified.

20 FOSSIL-FUELED POWER PLANTS↗

Learning crystal field parameters using convolutional neural networks

We present a deep machine learning algorithm to extract crystal field (CF) Stevens parameters from thermodynamic data of rare-earth magnetic materials. The algorithm employs a two-dimensional convolutional neural network (CNN) that is trained on magnetization, magnetic susceptibility and specific heat data that is calculated theoretically within the single-ion approximation and further processed using a standard wavelet transformation. We apply the method to crystal fields of cubic, hexagonal and tetragonal symmetry and for both integer and half-integer total angular momentum values J J of the ground state multiplet. We evaluate its performance on both theoretically generated synthetic and previously published experimental data on CeAgSb _2 2 , PrAgSb _2 2 and PrMg _2 2 Cu _9 9 , and find that it can reliably and accurately extract the CF parameters for all site symmetries and values of J J considered. This demonstrates that CNNs provide an unbiased approach to extracting CF parameters that avoids tedious multi-parameter fitting procedures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Distributed Energy Resource Cybersecurity Framework Best Practices

Current cybersecurity challenges for distributed energy resources (DERs) stem from the integration of various systems and the cyber-physical security concerns they bring. Although frameworks exist for industrial control systems and other energy systems, a simple guided tool that can prioritize recommended actions for controls specific to DERs is lacking. Additionally, the novelty of the field has made it difficult to create a standardized procedure for DERs with cybersecurity in mind. In response to this critical need to address cybersecurity risk management, the National Renewable Energy Laboratory (NREL) has developed a framework and accompanying web application known as the Distributed Energy Resources Cybersecurity Framework (DERCF) (Powell, 2019). A brief overview of the DERCF can be found in Section 1.2. This document provides a guide to cybersecurity best practices identified by technical research and site visits where the framework was used to assess the cybersecurity posture of DER systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Flow Sensor Test Article (F-STAr) (Design and Fabrication Status Report)

The Flow Sensor Test Article (F-STAr) is a test article currently under construction for the Mechanisms Engineering Test Loop (METL). F-STAr was designed to provide high sodium flowrate capabilities for sensor calibration, component testing, and fluid studies. Figure 1 shows two solid model views of the new test article. F-STAr includes a high-capacity pump that can provide a nominal flowrate of 120 GPM; a test section support structure that can accommodate a wide array of sub-test articles and their instrumentation; and finally, a heating and cooling system to aid in controlling the testing environment. Initially, F-STAr will be configured to test liquid metal flow sensors, specifically field shift sensors like the Eddy Current Flow Sensors (ECFS) based on the RDT C4-7T standard. To test these sensors, two test sections were designed that attempt to model Sodium Fast Reactor (SFR) outlet conditions. Figure 2 shows models of the “Full-Scaled Test Section” (FSTS) that represents a generic SFR fuel handling socket and a “Pseudo-Scaled Test Section” (PSTS) that represents a generic array of scaled fuel handling sockets. While F-STAr will be configured to test ECFS’s, it can also be outfitted to meet other experimental needs. For example, F-STAr could be setup with a test section that includes a fluidic diode or a component test investigating the performance of hydrodynamic bearings. Other test sections include studies of sodium thermal hydraulics like thermal striping. Overall, F-STAr is a flexible test article designed to accommodate many needs. This report will provide a status update on the design and construction of F-STAr. Manufacturing of all components has commenced, and several components have already been completed. These components include the pump and test section assembly stand. Other components, such as the heater, have been completed but were rejected due to the vendor not meeting the requirements of the purchase order. Lastly, the submersible flowmeter and main flange components are under construction, and their status will be reviewed in this report. Overall, most of the F-STAr components and parts will be completed by the end of September 2022.

42 ENGINEERING↗