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At least 829 records · Page 46

Stakeholder-Engaged Structured Decision Making for the Los Alamos Legacy Cleanup Mission - 20501

The Los Alamos National Laboratory (LANL) environmental legacy cleanup program requires decisions to be made for environmental remediation, decommissioning and disposal or management of radioactive waste. This legacy cleanup program was established to address groundwater contamination, material disposal areas (MDAs) that have been used to dispose of radioactive and other waste material, and 'aggregate areas' that might produce radioactive or other chemical waste as a result of remediation activities. The LANL site is regulated for environmental concerns under the Resource Conservation and Recovery Act (RCRA). However, some parts of LANL, such as material disposal area G (MDA G), have disposed of radioactive waste under DOE Order 435.1, and are subject to other regulations. For example, decommissioning the remote-handled TRU material stored in 33 shafts at MDA G falls under EPA's 40 CFR 191. Collectively, the regulations are all aimed in the same direction of finding the best solution, either through constructs such as 'as low as reasonably achievable' (ALARA), considering balancing factors as opposed to only cost and human health risk, and, under EPA regulations such as RCRA and NEPA, evaluating impact from all chemicals and both human health and ecological endpoints. Despite the basic goals and objectives of the regulations or their guidance, the main challenge is in their implementation. Arguably perhaps, but really in principle, all of these (and similar) regulations are asking for a decision analysis to be performed. Implementation challenges encountered have included lack of understanding of decision analysis in the industry, lack of effective stakeholder engagement in the decision analysis process, and lack of appreciation of the need to separate value judgments from science, the latter leading to developing conservative, or protective, science-based models. Conservative models lead to poor solutions, lack of effective stakeholder engagement leads to long drawn out protracted approaches to finding a solution (which also might never be found with this approach), and lack of understanding of decision analysis and Bayesian statistics causes poor models to be built, which creates unfortunate situations of 'garbage in, garbage out' becoming the basis for decision making. Stakeholder-engaged structured decision making (SDM) is an approach to solving problems that relies on the theory of decision science to involve stakeholders in the decision-making process. This approach incorporates stakeholder values using a scientifically rigorous methodology that separates value judgments from science in a way that helps avoid the pitfalls of biased, protective, or conservative modeling. This approach has its foundation in Keeney's 1992 treatise on value-focused thinking [1]. Keeney advocated a paradigm shift in decision making based on the idea that the standard way of thinking about decisions is backwards. The standard approach of focusing first on identifying alternatives rather than on articulating values results in a reactive approach with the emphasis on mechanics and fixed choices instead of the core values that have meaning to stakeholders. This paradigm shift effectively engages all stakeholders in the decision-making process while using a values focused thinking approach that can lead to the identification of decision opportunities and the creation of better alternatives. The intent is to be proactive and generate solutions that are related directly to values and objectives as identified by stakeholders. There are, perhaps, two overarching reasons why SDM can be used to benefit LANL's environmental legacy cleanup. Some of LANL's remaining waste management and environmental management problems are challenging and complex (for example, the Cr and RDX plumes, and MDAs) and while the traditional approach has, arguably, worked well for relatively simple risk-based problems, it cannot, or should not, be applied to more complex problems if the most effective and efficient solutions are desired. The second reason is cost. This has perhaps become more critical since publication of the Government Accountability Office (GAO) reports that DoE's environmental liability is considered a high-risk concern for the nation [2]. The focus of SDM is on structuring solutions to decision risk problems by first addressing stakeholder and decision maker values and subsequently developing decision objectives and ways to measure those objectives, preference weighting across objectives, identifying decision alternatives that best achieve those values, and characterizing uncertainty in predictions of the measures. Because a complete decision model is created using SDM, it can be evaluated to find the main elements of the model that drive, or predict, the best solution. This approach creates complete decision models that are transparent, traceable, reproducible and technically defensible. The science behind SDM, or decision analysis, is well founded, yet it is not unusual to see ad hoc approaches to decision making implemented under various environmental regulations that are pertinent to the LANL site, including NEPA, RCRA and DOE Order 435.1. Such ad hoc approaches are often not transparent or traceable, and lack reproducibility and technical defensibility. The LANL legacy cleanup program has embarked on using SDM to address the complex problems that remain. Stakeholder meetings have been held, and a prototype version of the stakeholder value system has been developed. Further meetings are expected in the future to address specific project needs. This is a long-term endeavor considering the complex environmental problems faced by DOE EM in Los Alamos (EM-LA), and careful planning, consideration of stakeholder value systems, and engagement with stakeholders throughout the SDM process is expected to lead to a successful endpoint. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Adhesion Capabilities of Permanent Foaming Fixatives

DOE-EM have identified an operational requirement for a fixative that can immobilize and/or encapsulate residual contamination in 3D void volumes (pipes, gloveboxes, waste containers, etc.) during D and D activities. Failure to safely and effectively immobilize residual contamination can: Put workers at risk; Contaminate the public and environment; Drive up costs. Commercial-off-the-shelf (COTS) polyurethane (PU) foams is one possible solution and is currently being investigated by Savannah River National Lab (SRNL). Adhesion testing will dictate how well PU foams will adhere and immobilize residual contamination onto a substrate. Results can provide a performance criteria for Section 5 of ASTM E3191: Standard Specification for Permanent Foaming Fixatives Used to Mitigate Spread of Radioactive Contamination. Initial mechanical testing showed intumescent rigid PU foams were best in class (tensile, compression, TGA/DSC) Application of intumescent rigid PU foam in pipe scenario with 'contamination' showed excellent adhesion capabilities as long as foam had contact with pipe. The foam, however, was not able to penetrate 'contamination' but created pockets where the contamination interacted with the substrate. Pretreatment options of pipe were considered to produce better immobilization capabilities. Pretreatment options included COTS products like baking spray, rubber cement, and soap. Foam was still able to immobilize on a global sense, but not a local sense. Essentially acted as a mechanical plug. A tensile tester (MTS Criterion Series 43) was utilized to evaluate the tensile adhesion strength of 6 COTS PU foams. ASTM D1623: Tensile and Tensile Adhesion Properties of Rigid Cellular Plastics. Procedures: PU foams were cured between two smooth 2'' x 2'' 304 stainless steel coupons with hinges glued on plates for gripping support. Parameters Used: Pull rate of 0.1 in/min. Calculations: Tensile adhesion strength, elongation, and ImageJ analysis of how PU foam is left on substrate. Outcome: The PU foam with the best adhesion capabilities would be downselected for further evaluation to be used as a permanent foaming fixative. The rigid PU foams had the best adhesion capabilities with the R1 foam having a max load of 236 N. One of the I-R2 samples reached almost 450 N and another sample reached 2500 N before slipping. The other intumescent foam, I-F4, had the most coverage on the stainless steel coupon's surface from the ImageJ results (61.43% surface coverage). The intumescent foam, I-R2, will be the foam of choice for future testing due its fire retardant and adhesion capabilities. Future directions: Conduct the following experiment in a pipe scenario with the down-selected PU foam. Procedures: PU foam will be cured between in a 304 stainless steel pipe (ID: 4'', OD: 4.5'', Height: 4''). Parameters Used: Compression testing results will be referenced to determine if foam's adhesion strength would be greater its compression strength as its being compressed. Calculations: Compression strength, shear stress, total time elapsed. Conduct further adhesion testing with the down-selected PU foam (I-R2) to be treated as a permanent foaming fixative (PFF). Determine the minimum contact the PFF should have with the substrate for adequate results. Evaluate if PFF's adhesion capabilities is time dependent (3.1.5 of ASTM E3911). Subject PFF to seismic stressors addressed in Safety Basis of Interim Operation documents (SBIO) to further evaluate adhesion capabilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Developing a Supply Chain Security Program

Amid growing concerns over foreign manufacturing for components and devices deployed in critical energy infrastructure, this research from the national labs will highlight best practices for developing and maintaining a supply chain security program. Tools for asset inventory, tips for developing and maintaining software- and hardware-bills-of-materials (SBOMs and HBOMs), recommended contractual language for vendor agreements, and identification of responsibilities will be shared. We discuss the one-time requirements to enable a successful supply chain security program and the best ways to operationalize this program for maximum impact, including development of robust practices for vulnerability tracking, patch management, and workarounds, with understanding of the reliability and uptime requirements for utilities. The recommendations shared are based on a cyber-informed engineering approach to identification of high-consequence impacts and the engineering controls related to supply chain management that can best mitigate these impacts. This approach allows for prioritization of resources. Additionally, we highlight relative up-front and ongoing costs associated with recommended controls. Viewers will leave with an understanding what a supply chain security program is, and what steps, prioritized for resource-constrained organizations, can build a robust program.

14 SOLAR ENERGY↗

Improving Mathematical Exposition of an Industrial-Scale Linear Program

Industrial-scale models require considerable setup time; hence, once built, they are used in myriad ways to consider closely related cases. In practice, the code for these models frequently evolves without appropriate notational choices, largely as a result of the lengthy development time of, and the number of individuals contributing to, their formulation. This leads to inefficiencies and obfuscates model structures that might be leveraged to expedite solutions. In this paper, we advocate for an emerging literature on model formulation “best practices” and present the reformulation of a widely used industrial-scale linear program. The efficient mathematical expression of this linear program, used to plan capacity expansion in the energy sector, allows for greater transparency of model structures and enhanced ability to identify computational performance improvements, as well as a lucid interpretation of its solutions. This type of formulation is employed in several mathematical programming courses at our university as an example of the advantages of best practices; the model more broadly is used widely to inform policy in the U.S. energy sector.

97 MATHEMATICS AND COMPUTING↗

NASA Passive Thermal Control Engineering Guidebook

The NASA Passive Thermal Control Engineering Guidebook provides recommendations, including best practices and lessons learned, related to the passive thermal control engineering discipline. Topics include analysis (including documentation and review), thermal hardware (design/selection, vendors, and integration), testing, and flight operations. The passive thermal discipline includes thermal control and thermal protection systems. The passive thermal control discipline, which is addressed in this Guidebook, is broad and covers internal and external systems, component passive thermal analysis, vehicle on-orbit attitude timeline analysis, integrated thermal analysis, various thermal control apparatus (heaters and controls, coatings, blankets and insulations, isolators, geometric design for view factors, materials emissivity/absorptivity properties), passive cooling of avionics, purge, vent, and drain for vehicle cavities and compartments, thermal model development and correlation, thermal cycle and thermal-vacuum testing. Topics related to thermal protection systems (TPS) are not within the scope of this document. The Guidebook provides a consolidated reference for early career as well as experienced engineers embarking on a new task. Leveraging the experience of the group minimizes the learning curve that exists at the start of new projects, reduces the risk of repeating mistakes, and improves the organization’s ability to deliver high-quality products efficiently. The intent of this document is to provide guidance based on collective experience, and is not intended impose constraints on project work. Best practices can vary substantially and it is important to apply judgment wisely based on careful consideration of the specific design and requirements. Implementation of the methods described will vary from project to project and should be applied in conjunction with the judgment of the thermal engineers performing and reviewing the work. The recommendations in this document are not intended to replace program, project, branch, Center, or NASA requirements and/or policies.

thermal↗

NASA Passive Thermal Control Engineering Guidebook

The NASA Passive Thermal Control Engineering Guidebook provides recommendations, including best practices and lessons learned, related to the passive thermal control engineering discipline. Topics include analysis (including documentation and review), thermal hardware (design/selection, vendors, and integration), testing, and flight operations. The passive thermal discipline includes thermal control and thermal protection systems. The passive thermal control discipline, which is addressed in this Guidebook, is broad and covers internal and external systems, component passive thermal analysis, vehicle on-orbit attitude timeline analysis, integrated thermal analysis, various thermal control apparatus (heaters and controls, coatings, blankets and insulations, isolators, geometric design for view factors, materials emissivity/absorptivity properties), passive cooling of avionics, purge, vent, and drain for vehicle cavities and compartments, thermal model development and correlation, thermal cycle and thermal-vacuum testing. Topics related to thermal protection systems (TPS) are not within the scope of this document. The Guidebook provides a consolidated reference for early career as well as experienced engineers embarking on a new task. Leveraging the experience of the group minimizes the learning curve that exists at the start of new projects, reduces the risk of repeating mistakes, and improves the organization’s ability to deliver high-quality products efficiently. The intent of this document is to provide guidance based on collective experience, and is not intended impose constraints on project work. Best practices can vary substantially and it is important to apply judgment wisely based on careful consideration of the specific design and requirements. Implementation of the methods described will vary from project to project and should be applied in conjunction with the judgment of the thermal engineers performing and reviewing the work. The recommendations in this document are not intended to replace program, project, branch, Center, or NASA requirements and/or policies.

thermal↗

Tau Positron Emission Tomography for Predicting Dementia in Individuals With Mild Cognitive Impairment

An accurate prognosis is especially pertinent in mild cognitive impairment (MCI), when individuals experience considerable uncertainty about future progression. To evaluate the prognostic value of tau positron emission tomography (PET) to predict clinical progression from MCI to dementia. This was a multicenter cohort study with external validation and a mean (SD) follow-up of 2.0 (1.1) years. Data were collected from centers in South Korea, Sweden, the US, and Switzerland from June 2014 to January 2024. Participant data were retrospectively collected and inclusion criteria were a baseline clinical diagnosis of MCI; longitudinal clinical follow-up; a Mini-Mental State Examination (MMSE) score greater than 22; and available tau PET, amyloid-β (Aβ) PET, and magnetic resonance imaging (MRI) scan less than 1 year from diagnosis. A total of 448 eligible individuals with MCI were included (331 in the discovery cohort and 117 in the validation cohort). None of these participants were excluded over the course of the study. Exposures included Tau PET, Aβ PET, and MRI. Positive results on tau PET (temporal meta–region of interest), Aβ PET (global; expressed in the standardized metric Centiloids), and MRI (Alzheimer disease [AD] signature region) was assessed using quantitative thresholds and visual reads. Clinical progression from MCI to all-cause dementia (regardless of suspected etiology) or to AD dementia (AD as suspected etiology) served as the primary outcomes. The primary analyses were receiver operating characteristics. In the discovery cohort, the mean (SD) age was 70.9 (8.5) years, 191 (58%) were male, the mean (SD) MMSE score was 27.1 (1.9), and 110 individuals with MCI (33%) converted to dementia (71 to AD dementia). Only the model with tau PET predicted all-cause dementia (area under the receiver operating characteristic curve [AUC], 0.75; 95% CI, 0.70-0.80) better than a base model including age, sex, education, and MMSE score (AUC, 0.71; 95% CI, 0.65-0.77; P = .02), while the models assessing the other neuroimaging markers did not improve prediction. In the validation cohort, tau PET replicated in predicting all-cause dementia. Compared to the base model (AUC, 0.75; 95% CI, 0.69-0.82), prediction of AD dementia in the discovery cohort was significantly improved by including tau PET (AUC, 0.84; 95% CI, 0.79-0.89; P < .001), tau PET visual read (AUC, 0.83; 95% CI, 0.78-0.88; P = .001), and Aβ PET Centiloids (AUC, 0.83; 95% CI, 0.78-0.88; P = .03). In the validation cohort, only the tau PET and the tau PET visual reads replicated in predicting AD dementia. In this study, tau-PET showed the best performance as a stand-alone marker to predict progression to dementia among individuals with MCI. This suggests that, for prognostic purposes in MCI, a tau PET scan may be the best currently available neuroimaging marker.

59 BASIC BIOLOGICAL SCIENCES↗

Device Performance of Emerging Photovoltaic Materials (Version 1)

Abstract Emerging photovoltaics (PVs) focus on a variety of applications complementing large scale electricity generation. Organic, dye‐sensitized, and some perovskite solar cells are considered in building integration, greenhouses, wearable, and indoor applications, thereby motivating research on flexible, transparent, semitransparent, and multi‐junction PVs. Nevertheless, it can be very time consuming to find or develop an up‐to‐date overview of the state‐of‐the‐art performance for these systems and applications. Two important resources for recording research cells efficiencies are the National Renewable Energy Laboratory chart and the efficiency tables compiled biannually by Martin Green and colleagues. Both publications provide an effective coverage over the established technologies, bridging research and industry. An alternative approach is proposed here summarizing the best reports in the diverse research subjects for emerging PVs. Best performance parameters are provided as a function of the photovoltaic bandgap energy for each technology and application, and are put into perspective using, e.g., the Shockley–Queisser limit. In all cases, the reported data correspond to published and/or properly described certified results, with enough details provided for prospective data reproduction. Additionally, the stability test energy yield is included as an analysis parameter among state‐of‐the‐art emerging PVs.

36 MATERIALS SCIENCE↗

Supramolecular Self-Assembled Multi-Electron-Acceptor Organic Molecule as High-Performance Cathode Material for Li-Ion Batteries

Organic electrode materials possess many advantages such as low toxicity, sustainability, and chemical/structural tunability toward high energy density. However, to compete with inorganic-based compounds, crucial aspects such as redox potential, capacity, cycling stability, and electronic conductivity need to be improved. Herein, a comprehensive strategy on the molecular design of small organic electron-acceptor-molecule—hexaazatrianthranylene (HATA) embedded quinone (HATAQ) is reported. By introducing conjugated quinone moieties into the electron-deficient hexaazatriphenylene-derivative core, HATAQ with highly extended π-conjugation can yield extra-high capacity for lithium storage, delivering a capacity of 426 mAh g -1 at 200 mA g -1 (0.4C). At an extremely high rate of 10 A g -1 (19C), a reversible capacity of 209 mAh g -1 corresponding to nearly 85% retention is obtained after 1000 cycles. A unique network of unconventional lock-and-key hydrogen bonds in the solid-state facilitates favorable supramolecular 2D layered arrangement, enhancing cycling stability. To the best of the authors’ knowledge, the capacity and rate capability of HATAQ are found to be the best ever reported for organic small-molecule-based cathodes. Finally, these results together with density functional theory studies provide proof-of-concept that the design strategy is promising for the development of organic electrodes with exceptionally high energy density, rate capability, and cycling stability.

25 ENERGY STORAGE↗

Reimagining the $e_g$ 1 Electronic State in Oxygen Evolution Catalysis: Oxidation-State-Modulated Superlattices as a New Type of Heterostructure for Maximizing Catalysis

We report that the discovery of solid-phase, inexpensive transition-metal-based water oxidation catalysts is a central goal for renewable energy, and has led to a general consensus that a partially populated metal e g d-electronic state is desirable, leading to favorable catalysis for certain elements in specific oxidation states. In manganese systems, the key species is manganese(III), whose high-spin d 4 electronic configuration places an unpaired electron in the e g orbital, which is postulated to contribute to electronic and structural features that support catalysis. Based on density functional theory calculations, it is predicted that electron transfer would be facilitated by a catalyst with alternating low- and high-Mn III -content sheets, which positions neighboring band edges in closer energetic proximity. The preparation of such catalysts is demonstrated for the first time and it is shown that the catalytic activity is maximized in these systems over more uniform, but more Mn III -rich systems. The best catalyst possesses alternating high-and low-average oxidation state sheets with interlayer Cs + ions, and has an overpotential of 450 mV at 10 mA, which represents an improvement of 250 mV over the best unmodified synthetic potassium birnessites. Using scanning tunneling spectroscopy, bandgap modulations consistent with the theoretically predicted band edge shifts are detected.

36 MATERIALS SCIENCE↗

Predicting Solar Cell Performance from Terahertz and Microwave Spectroscopy

Abstract Mobilities and lifetimes of photogenerated charge carriers are core properties of photovoltaic materials and can both be characterized by contactless terahertz or microwave measurements. Here, the expertise from fifteen laboratories is combined to quantitatively model the current‐voltage characteristics of a solar cell from such measurements. To this end, the impact of measurement conditions, alternate interpretations, and experimental inter‐laboratory variations are discussed using a (Cs,FA,MA)Pb(I,Br) 3 halide perovskite thin‐film as a case study. At 1 sun equivalent excitation, neither transport nor recombination is significantly affected by exciton formation or trapping. Terahertz, microwave, and photoluminescence transients for the neat material yield consistent effective lifetimes implying a resistance‐free JV‐curve with a potential power conversion efficiency of 24.6 %. For grainsizes above ≈20 nm, intra‐grain charge transport is characterized by terahertz sum mobilities of ≈32 cm 2 V −1 s −1 . Drift‐diffusion simulations indicate that these intra‐grain mobilities can slightly reduce the fill factor of perovskite solar cells to 0.82, in accordance with the best‐realized devices in the literature. Beyond perovskites, this work can guide a highly predictive characterization of any emerging semiconductor for photovoltaic or photoelectrochemical energy conversion. A best practice for the interpretation of terahertz and microwave measurements on photovoltaic materials is presented.

14 SOLAR ENERGY↗

A Goldilocks Approach to Water Management: Hydrochannel Porous Transport Layers for Unitized Reversible Fuel Cells

Abstract This work presents a novel porous transport layer (PTL), the hydrochannel PTL, that enables improved water management and record high round trip efficiency in unitized reversible fuel cells (URFCs). URFCs require rapid transport of O 2 and H 2 O to provide high performance in both fuel cell and water electrolyzer operation, but cell design is complicated by conflicting water management requirements: electrolyzers perform best with high liquid water saturation, whereas fuel cells perform best when liquid water saturation is as low as possible while still maintaining effective ionomer hydration. The hydrochannel PTL circumvents this obstacle by providing hydrophilic channels for water transport through an otherwise hydrophobic PTL, enabling optimal performance in both fuel cell and water electrolyzer modes. Neutron radiography measurements of water content in both operating modes confirm that the hydrochannel PTL enables high performance due to its improved water management capabilities.

25 ENERGY STORAGE↗

A Comprehensive Comparative Study of Active Learning Schemes for Nanophotonics Design

We present a benchmarking study of active learning (AL) schemes for designing planar multilayer nanophotonic metamaterials, where the design tasks are formulated as binary optimization problems. Different surrogate models, including factorization machine (FM), Gaussian process regression (GPR), and convolutional neural network (CNN), combined with different optimization methods, including exhaustive enumeration, discrete particle swarm optimization (DPSO), quantum annealing (QA), hybrid QA, and simulated annealing are studied. The benchmark cases investigated range from small problems with short binary lengths (N = 25) to large problems with N up to 100, focusing on the design of two classes of photonic structures, including antireflective coatings for the long-wavelength infrared region and transparent radiative coolers. For small problems, CNN coupled with DPSO in AL achieves the best performance. As N increases, FM with QA outperforms GPR and CNN. For FM-based AL, hybrid QA yields the best optimization results, particularly in high-dimensional cases (N = 100). These results demonstrate that the optimization method can significantly affect in AL performance as N increases, and that QA-based optimization can provide practical routes for mitigating the optimization bottleneck in high-dimensional problems.

Jung, Serang [Kyung Hee University, Korea]↗

Optimization of Magnesium‐Doped Lithium Metal Anode for High Performance Lithium Metal Batteries through Modeling and Experiment

Abstract Lithium (Li)‐magnesium (Mg) alloy with limited Mg amount, which can also be called Mg‐doped Li (Li‐Mg), has been considered as a potential alternative anode for high energy density rechargeable Li metal batteries. However, the optimum doping‐content of Mg in Li‐Mg anode and the mechanism of the improved performance are not well understood. Herein, density functional theory (DFT) calculations are used to investigate the effect of Mg amount in Li‐Mg anode. The Li‐Mg with about 5 wt. % Mg (abbreviated as Li‐Mg5) has the lowest absorption energy of Li, thus all the surface area can be “controlled” by Mg atoms, leading to the smooth and continuous deposition of Li on the surface around the Mg center. A localized high concentration electrolyte enables Li‐Mg5 to exhibit the best cycling stability in Li metal batteries with high‐loading cathode and lean electrolyte under 4.4 V high‐voltage, which is approaching the demand of practical application. This electrolyte also helps generate an inorganic‐rich solid electrolyte interphase, which leads to smooth, compact and less corrosion layer on the Li‐Mg5 surface. Both theoretical simulations and experimental results prove that Li‐Mg5 has optimum Mg content and gives best battery cycling performance.

Gao, Peiyuan↗

Optimization of Magnesium-Doped Lithium Metal Anode for High Performance Lithium Metal Batteries through Modeling and Experiment

Lithium (Li)-magnesium (Mg) alloy with limited Mg amount, which can also be called Mg-doped Li (Li-Mg), has been considered as a potential alternative anode for high energy density rechargeable Li metal batteries. However, the optimum doping-content of Mg in Li-Mg anode and the mechanism of the improved performance are not well understood. In this study, density functional theory (DFT) calculations are used to investigate the effect of Mg amount in Li-Mg anode. The Li-Mg with about 5 wt. % Mg (abbreviated as Li-Mg5) has the lowest absorption energy of Li, thus all the surface area can be “controlled” by Mg atoms, leading to the smooth and continuous deposition of Li on the surface around the Mg center. A localized high concentration electrolyte enables Li-Mg5 to exhibit the best cycling stability in Li metal batteries with high-loading cathode and lean electrolyte under 4.4 V high-voltage, which is approaching the demand of practical application. This electrolyte also helps generate an inorganic-rich solid electrolyte interphase, which leads to smooth, compact and less corrosion layer on the Li-Mg5 surface. Both theoretical simulations and experimental results prove that Li-Mg5 has optimum Mg content and gives best battery cycling performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SEC ‐ SAXS / MC Ensemble Structural Studies of the Microtubule Binding Protein Cdt1 Show Monomeric, Folded‐Over Conformations

ABSTRACT Cdt1 is a mixed folded protein critical for DNA replication licensing and it also has a “moonlighting” role at the kinetochore via direct binding to microtubules and the Ndc80 complex. However, it is unknown how the structure and conformations of Cdt1 could allow it to participate in these multiple, unique sets of protein complexes. While robust methods exist to study entirely folded or unfolded proteins, structure–function studies of combined, mixed folded/disordered proteins remain challenging. In this work, we employ orthogonal biophysical and computational techniques to provide structural characterization of mitosis‐competent human Cdt1. Thermal stability analyses shows that both folded winged helix domains1 are unstable. CD and NMR show that the N‐terminal and linker regions are intrinsically disordered. DLS shows that Cdt1 is monomeric and polydisperse, while SEC‐MALS confirms that it is monomeric at high concentrations, but without any apparent inter‐molecular self‐association. SEC‐SAXS enabled computational modeling of the protein structures. Using the program SASSIE, we performed rigid body Monte Carlo simulations to generate a conformational ensemble of structures. We observe that neither fully extended nor extremely compact Cdt1 conformations are consistent with SAXS. The best‐fit models have the N‐terminal and linker disordered regions extended into the solution and the two folded domains close to each other in apparent “folded over” conformations. We hypothesize the best‐fit Cdt1 conformations could be consistent with a function as a scaffold protein that may be sterically blocked without binding partners. Our study also provides a template for combining experimental and computational techniques to study mixed‐folded proteins.

Cell Biology↗

Ruthenium/Carbon Nanocomposites for Efficient Hydrogen Electrocatalysis: Impacts of Halide Residues

Ruthenium has emerged as a promising substitute for platinum toward the hydrogen evolution/oxidation reaction (HER/HOR). Herein, ruthenium/carbon composites are prepared by magnetic induction heating (300 A, 10 s) of RuCl3, RuBr3 or RuI3 loaded on hollow N-doped carbon cages (HNC). The HNC-RuCl3-300A sample consists of Ru nanoparticles (dia. 1.96 nm) and abundant Cl residues. HNC-RuBr3-300A possesses a larger nanoparticle size (≈19.36 nm) and lower content of Br residues. HNC-RuI3-300A contains only bulk-like Ru agglomerates with a minimal amount of I residues, due to reduced Ru-halide bonding interactions. Among these, HNC-RuCl3-300A exhibits the best HER activity in alkaline media, with a low overpotential of only -26 mV to reach 10 mA cm-2, even outperforming Pt/C, and can be used as the cathode catalyst for anion exchange membrane water electrolyzer (along with commercial RuO2 as the anode catalyst), producing 0.5 A cm- 2 at 1.88 V for up to 100 h, a performance markedly better than that with Pt/C. HNC-RuCl3-300A also exhibits the best HOR activity, with a half-wave potential (+18 mV) even lower than that of Pt/C (+35 mV). These activities are ascribed to the combined contributions of small Ru nanoparticles and Ru-to-halide charge transfer that weaken H adsorption.

Yu, Bingzhe↗

Camera settings and biome influence the accuracy of citizen science approaches to camera trap image classification

Scientists are increasingly using volunteer efforts of citizen scientists to classify images captured by motion-activated trail cameras. The rising popularity of citizen science reflects its potential to engage the public in conservation science and accelerate processing of the large volume of images generated by trail cameras. While image classification accuracy by citizen scientists can vary across species, the influence of other factors on accuracy is poorly understood. Inaccuracy diminishes the value of citizen science derived data and prompts the need for specific best-practice protocols to decrease error. We compare the accuracy between three programs that use crowdsourced citizen scientists to process images online: Snapshot Serengeti, Wildwatch Kenya, and AmazonCam Tambopata. We hypothesized that habitat type and camera settings would influence accuracy. To evaluate these factors, each photograph was circulated to multiple volunteers. All volunteer classifications were aggregated to a single best answer for each photograph using a plurality algorithm. Subsequently, a subset of these images underwent expert review and were compared to the citizen scientist results. Classification errors were categorized by the nature of the error (e.g., false species or false empty), and reason for the false classification (e.g., misidentification). Our results show that Snapshot Serengeti had the highest accuracy (97.9%), followed by AmazonCam Tambopata (93.5%), then Wildwatch Kenya (83.4%). Error type was influenced by habitat, with false empty images more prevalent in open-grassy habitat (27%) compared to woodlands (10%). For medium to large animal surveys across all habitat types, our results suggest that to significantly improve accuracy in crowdsourced projects, researchers should use a trail camera set up protocol with a burst of three consecutive photographs, a short field of view, and determine camera sensitivity settings based on in situ testing. Accuracy level comparisons such as this study can improve reliability of future citizen science projects, and subsequently encourage the increased use of such data.

54 ENVIRONMENTAL SCIENCES↗