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At least 667 records · Page 37

Theoretical H + O 3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties

Thermal rate coefficients and kinetic isotope effects have been calculated for an important atmospheric reaction H/D + O 3 → OH/OD + O2 based on an accurate permutation invariant polynomial-neural network potential energy surface, using ring polymer molecular dynamics (RPMD), quasi-classical trajectory (QCT) and variational transition-state theory (VTST) with multidimensional tunneling. The RPMD approach yielded results that are generally in better agreement with experimental rate coefficients than the VTST and QCT ones, especially at low temperatures, attributable to its capacity to capture quantum effects such as tunneling and zero-point energy. Additionally, the theoretical results support one group of existing experiments over the other. In addition, rate coefficients for the D + O 3 → OD + O 2 reaction are also reported using the same methods, which will allow a stringent assessment of future experimental measurements, thus helping to reduce the uncertainty in the recommended rate coefficients of this reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A systematic evaluation of wind's capacity credit in the Western United States

Abstract The degree to which wind energy can contribute to the capacity needed to meet resource adequacy requirements, also known as capacity credit (CC), can be impacted by many factors. The CC varies regionally with wind resource and correlation to net load and may also vary with wind technology (land‐based versus offshore) and turbine specifications. We use a probabilistic resource adequacy tool to systematically assess the CC of multiple technologies for near‐term wind deployment across the Western US power system to help inform planning decisions. We find that wind CC varies by weather year and location but averages 16% for land‐based turbines and 41% for offshore turbines, with large regional variations. The average wind CC increases to 20% for land‐based and 53% for offshore when considering only the sites in the top 25th percentile of capacity factor. The CC of land‐based wind is generally lower than its capacity factor, which indicates a low correlation of generation to system needs. However, offshore wind shows a substantially higher CC, which is driven by not only a higher capacity factor but also a greater correlation with system needs.

17 WIND ENERGY↗

Decadal-Scale Hydrothermal Alteration of Basalt: Implications for Long-Term Reactivity in Subsurface Technologies

Global demands to secure critical mineral supply chains and managing water resources require innovative resource management strategies. Subsurface basalt reservoirs offer a dual-purpose application, where CO2 enhanced critical metal recovery can be coupled with water remediation strategies for the extraction of economically important and environmentally relevant elements. This study utilizes static batch experiments conducted on Columbia River Basalt Group samples to evaluate long-term fluid–rock interactions relevant to coupled subsurface applications. Samples were reacted under elevated temperature and pressure conditions, for 296 and 4,061 days, providing a unique dataset to assess geochemical evolution, element partitioning, and aqueous chemistry over decadal timescales. The alteration was dominated by silicate, aluminosilicate, and oxide phases. Progressive hydrothermal alteration increased the cation exchange capacity through the formation of secondary minerals (e.g. clays and zeolites), influencing solute retention, ion exchange behavior, and aqueous chemistry. Grain-scale and bulk analyses revealed selective cation release and retention patterns, establishing a mechanistic baseline for predicting element mobility. These geochemical constraints inform the prospective use of CO2-enhanced metal recovery for critical resources (e.g. Co, Ni, Mn, Mg, Ti, Fe) and associated water-quality impacts, providing a foundation for the design and management of engineered fluid–rock systems in basalt reservoirs.

Gibson, Marie N.↗

Psychosocial experiences are associated with human brain mitochondrial biology

Psychosocial experiences affect brain health and aging trajectories, but the molecular pathways underlying these associations remain unclear. Normal brain function relies on energy transformation by mitochondria oxidative phosphorylation (OxPhos). Two main lines of evidence position mitochondria both as targets and drivers of psychosocial experiences. On the one hand, chronic stress exposure and mood states may alter multiple aspects of mitochondrial biology; on the other hand, functional variations in mitochondrial OxPhos capacity may alter social behavior, stress reactivity, and mood. But are psychosocial exposures and subjective experiences linked to mitochondrial biology in the human brain? By combining longitudinal antemortem assessments of psychosocial factors with postmortem brain (dorsolateral prefrontal cortex) proteomics in older adults, we find that higher well-being is linked to greater abundance of the mitochondrial OxPhos machinery, whereas higher negative mood is linked to lower OxPhos protein content. Combined, positive and negative psychosocial factors explained 18 to 25% of the variance in the abundance of OxPhos complex I, the primary biochemical entry point that energizes brain mitochondria. Moreover, interrogating mitochondrial psychobiological associations in specific neuronal and nonneuronal brain cells with single-nucleus RNA sequencing (RNA-seq) revealed strong cell-type-specific associations for positive psychosocial experiences and mitochondria in glia but opposite associations in neurons. As a result, these “mind-mitochondria” associations were masked in bulk RNA-seq, highlighting the likely underestimation of true psychobiological effect sizes in bulk brain tissues. Thus, self-reported psychosocial experiences are linked to human brain mitochondrial phenotypes.

59 BASIC BIOLOGICAL SCIENCES↗

EVI-EnSitePy (Electric Vehicle Infrastructure – Energy Estimation and Site Optimization Tool in Python) [EVI-X Modeling Suite] [SWR-25-07]

EVI-EnSitePy is a comprehensive agent-based tool designed for the analysis and design of high-power charging sites, encompassing a wide array of site agents including Electric Vehicles (EVs), chargers, energy storage units (ESS), renewable energy resources (DER), and loads. This versatile tool offers diverse functionalities and a modular modeling approach, allowing detailed configuration of agents based on power ratings, port numbers, energy capacities, demand requirements, charger interfaces, and flexibility to customize the tool for project specific goals. By simulating agent interactions and employing various metrics, EVI-EnSitePy enables the assessment of site performance, exploration of energy management systems (EMS), and implementation of innovative EV charging policies. Utilizing EV charge schedules and arrival states, the tool performs thorough charging site simulations, with outputs consisting of agent and site-level power profiles and statistical metrics. Employing a tree graph structure, EVI-EnSitePy supports nested site structures and power distribution modeling. The tool's ability to generate charging schedules deterministically or via stochastic analysis further enhances its versatility. Through its features and capabilities, EVI-EnSitePy offers a powerful platform for informed decision-making in the realm of high-power charging site design and operation.

Jackson, Derek [National Renewable Energy Laborato↗

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC (2020 Status Report)

Savannah River Site (SRS) stores plutonium materials within model 9975 shipping packages in the K-Area Complex (KAC). The 9975 shipping package consists of a 35 gallon stainless steel drum, Celotex fiberboard insulation, lead shield, and primary and secondary containment vessels. The 9975 shipping package design, performance, and analysis for safe transport of radioactive material are described in the Safety Analysis Report for Packaging (SARP). Celotex fiberboard provides three safety functions: thermal insulation to limit internal temperature during a fire, criticality control, and resistance to package crushing. The fiberboard material must retain its dimensions and density within certain ranges to provide the required impact resistance, criticality control, and fire resistance. The SRS Surveillance Program monitors material performance to establish a basis for service life and ensures the continued integrity of 9975 packages. Fiberboard samples, taken from multiple fiberboard assemblies fabricated from cane and softwood fiberboard, have been conditioning in elevated temperature environments since 2005. The samples are periodically examined to monitor thermal, mechanical, and physical properties, and assess degradation trends. Fiberboard properties of interest that are evaluated to demonstrate acceptable long-term performance include dimensional stability, density, compressive strength, thermal conductivity, and specific heat capacity. Duplicate samples from multiple package sources have been tested to identify the range of variability in fiberboard properties and degradation rates. Baseline and long-term testing of fiberboard material properties have been reported previously; reference 6 summarized experimental results of cane and softwood fiberboard through May 2019 and presented degradation models for the measured properties. This report presents the cumulative data collected through June 2020 and the corresponding updated aging models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Application of Ion Sieve Sorbent Prepared from Mineral Stream Associated with Critical Minerals in Direct Lithium Extraction

In this presentation, the speaker discusses the research that has been carried out at NETL regarding direct lithium extraction. The three main discussing points are as follows: developing high-capacity lithium-ion sieve sorbent using mineral streams associated with critical minerals; demonstrating the sorbent ability to recover lithium from oil/gas produced waters and geothermal brines; and assessing the feasibility of large-scale implementation through technoeconomic analysis.

Cheng, Chin-Min [NETL Site Support Contractor, Nat↗

Strategic National Level Exercises Program White Paper - Draft

The general objective of this white paper is to share lessons learned and provide interdisciplinary recommendations on how to use NLE to evaluate, assess and improve national nuclear security regimes. The specific objectives of this white paper are: — To describe the type of exercises, benefits and requirements — To outline the different capacity areas and capability performance levels — To provide concrete and actionable recommendations to INS’s partners on how to use NLE to improve national nuclear security regimes.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Makah Tribe Strategic Energy Plan

The U.S. Department of Energy’s (DOE) Energy Transitions Initiative Partnership Project (ETIPP) connects remote and island communities, regional partners, and the DOE national laboratories to support communities as they seek to build resilience in their energy systems. The Makah Tribe faces several energy challenges, including frequent power outages and the potential for an extended outage due to an earthquake or tsunami. The Tribe joined ETIPP in 2022 to address those challenges, seeking to build energy resilience and sovereignty in the community. The Makah Tribe, Spark Northwest, the Pacific Northwest National Laboratory (PNNL), and the National Renewable Energy Laboratory (NREL) collaborated to develop a strategic energy plan as part of the second cohort of ETIPP communities. The long-term energy vision of the Makah Tribe includes increasing energy efficiency in the community, improving energy management capacity, and developing the renewable energy generation and storage sufficient to independently power the Reservation for one year. Additionally, the ETIPP team worked with Makah leadership, staff, and community members to identify a set of community priorities, values, and goals to guide energy development as the Tribe takes the incremental steps toward their vision for energy sovereignty. Those energy values include ecosystem-based management, energy sovereignty and project ownership, workforce development and capacity, economic opportunity, community wellbeing and priorities, and emergency disaster resilience. To understand what would be needed for a year for energy independence, the PNNL team conducted an assessment to determine the current energy usage of the Tribe and also modeled several scenarios for future energy use. Using the energy usage values, the team estimated how two types of renewable energy technology, specifically locally deployed solar and small-scale wind, could contribute towards the energy independence goal. The energy baseline and resource assessment produced the following key findings:

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Al 2 O 3 Thin Films on Magnesium: Assessing the Impact of an Artificial Solid Electrolyte Interphase

Among the many emerging technologies under investigation as alternatives to the successful Lithium-ion battery, the magnesium battery is promising due to the wide availability of magnesium, its high volumetric capacity, and the possibility for safety improvements. One of the largest challenges facing rechargeable magnesium batteries is the formation of a passivation layer at the Mg metal anode interface when reactive species in the electrolyte are reduced at the electrode-electrolyte interface. To control the solid electrolyte interphase in Lithium batteries, protective layers called artificial solid electrolyte interphase (ASEI) layers have been successful in improving Li metal anode performance. The approach of protecting Mg metal anodes from electrolyte degradation has been demonstrated by fewer studies in the literature than Li systems. In this work, we discuss the properties of Al 2 O 3 thin films deposited using atomic layer deposition as an artificial solid electrolyte interphase at the Mg anode. Our results demonstrate that Al 2 O 3 does prevent electrolyte degradation due to the reductive nature of Mg. However, undesirable properties such as defects and layer breakdown lead to Mg growth that causes soft-shorting. The soft-shorting occurs with and without the protection layer, indicating the ALD layer does not prevent it and hinders Al 2 O 3 from being an ideal candidate for a protection layer. Crucial effects of this layer on Mg electrochemistry at the interface were observed, including growth of Mg deposits leading to soft-shorting of the cell whose morphology showed a dependence on the Al 2 O 3 layer. These results may provide guidelines for the future design and development of protective ASEI layers for Mg anodes.

25 ENERGY STORAGE↗

Dynamic Thermal Performance Analysis of PCM Products Used for Energy Efficiency and Internal Climate Control in Buildings

PCMs are attractive for the future generation of buildings, where energy efficiency targets and thermal comfort expectations are increasingly prioritized. Experimental analysis of local thermal processes in these dynamic components and whole-building energy consumption predictions are essential for the proper implementation of PCMs in buildings. This paper discusses the experimental analysis of the thermophysical characteristics of both a latent heat storage material (PCM) and a product containing this PCM. The prototype product under investigation is a panelized PCM technology containing inorganic, salt-hydrate-based PCM. The thermal analysis includes studies of melting and freezing temperatures, enthalpy changes during phase change processes, nucleation intensity, sub-cooling effects, and PCM stability. The PCM’s stability is also investigated, as is the ability of PCM products to control local temperatures and peak load transmission times. Two inorganic PCM formulations based on calcium chloride hexahydrate (CaCl 2 .6H 2 O) were prepared and tested in laboratory conditions. Material-scale testing results were compared with outcomes from the system-scale analysis, using both laboratory test methods as well as field exposure in test huts. This work demonstrates that PCM technologies used in buildings can effectively control both the magnitude of thermal storage capacity as well as the time of the peak thermal load. It was found that commonly used material-scale testing methods may not always be beneficial in assessing the dynamic thermal performance characteristics of building technologies containing PCMs.

42 ENGINEERING↗

Recent Developments at the NASA Langley Research Center National Transonic Facility

Several upgrade projects have been completed or are just getting started at the NASA Langley Research Center National Transonic Facility. These projects include a new high capacity semi-span balance, model dynamics damping system, semi-span model check load stand, data acquisition system upgrade, facility automation system upgrade and a facility reliability assessment. This presentation will give a brief synopsis of each of these efforts.

Paryz, Roman W.↗

System Analysis Support of Consent-Based Siting Efforts - 23400

To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the Integrated Waste Management (IWM) program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring the development and application of system analysis tools capable of analyzing various system options for the management of spent nuclear fuel (SNF) and high-level radioactive waste. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate things like the implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed system operation start dates. Some example system analysis results have been published previously. With the passage of the consolidated appropriations acts for fiscal years 2021 and 2022, Congress provided funding and direction for the DOE to move forward with interim storage to support near-term action in managing the nation’s SNF as an important component of an IWMS. Consent-based siting is a phased, adaptive, and collaborative approach to siting facilities that focuses on the needs and concerns of people and communities. Communities participate in the siting process by working carefully through a series of phases and steps with the DOE (as the implementing organization). Each step and phase helps a community determine whether and how hosting a facility to manage SNF is aligned to the community’s goals. By its nature, a consent-based siting process must be transparent, flexible, adaptive, and responsive to community concerns. Thus, the phases and steps are intended to serve as a guide, not a prescriptive set of instructions. System analysis research analysts interface with DOE’s consent-based siting for a federal interim storage program and can perform preliminary system analyses as requested to support various aspects of the consent-based siting team’s work. This paper provides an overview of IWM program’s system analysis activities that support the ongoing consent-based siting process. The questions that decision-makers, planners, communities, and stakeholders might have during the consent-based siting process are similar to questions that have been explored by system analysts previously. Specifically, this paper discusses work that will inform consent-based siting efforts in the areas of community impacts, cost estimates, various SNF acceptance rates by potential facilities, potential consolidated interim storage facility (CISF) capacities and configurations, and the implications of a CISF on the overall waste management system. It is expected that system analysis will continue to be performed to support the consent-based siting process in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Bacterial population-level trade-offs between drought tolerance and resource acquisition traits impact decomposition

Microbes drive fundamental ecosystem processes, such as decomposition. Environmental stressors are known to affect microbes, their fitness, and the ecosystem functions that they perform; yet, understanding the causal mechanisms behind this influence has been difficult. We used leaf litter on soil surface as a model in situ system to assess changes in bacterial genomic traits and decomposition rates for 18 months with drought as a stressor. We hypothesized that genome-scale trade-offs due to investment in stress tolerance traits under drought reduce the capacity for bacterial populations to carry out decomposition, and that these population-level trade-offs scale up to impact emergent community traits, thereby reducing decomposition rates. We observed drought tolerance mechanisms that were heightened in bacterial populations under drought, identified as higher gene copy numbers in metagenome-assembled genomes. A subset of populations under drought had reduced carbohydrate-active enzyme genes that suggested—as a trade-off—a decline in decomposition capabilities. These trade-offs were driven by community succession and taxonomic shifts as distinct patterns appeared in populations. We show that trait–trade-offs in bacterial populations under drought could scale up to reduce overall decomposition capabilities and litter decay rates. Using a trait-based approach to assess the population ecology of soil bacteria, we demonstrate genome-level trade-offs in response to drought with consequences for decomposition rates.

59 BASIC BIOLOGICAL SCIENCES↗

Hydrogen Transportation and Distributed Energy Systems Seismic Risk Assessment for Cascadia Subduction Zone Airport Facilities

Portland International Airport in Oregon is exploring operating a fleet of 28 fuel cell electric buses to support airport operations and possibly provide backup power during outages. In this report, we evaluate the risk of hydrogen deployment at an airport considering the potential for seismic activity. We present a seismic risk assessment for pressurized piping for a generic hydrogen refueling station at the airport. Only pressurized piping was considered in the risk analysis because of its vulnerability and availability of fragility information unlike the other components. Seismic capacity of other components should be included as more information becomes available.

08 HYDROGEN↗

Benefit Assessment of the Precision Departure Release Capability Concept

A Precision Departure Release Capability concept is being evaluated by both the National Aeronautics and Space Administration and the Federal Aviation Administration as part of a larger goal of improving throughput, efficiency and capacity in integrated departure, arrival and surface operations. The concept is believed to have the potential of increasing flight efficiency and throughput by avoiding missing assigned slots and minimizing speed increase or path stretch to recover the slot. The main thrust of the paper is determining the impact of early and late departures from the departure runway when an aircraft has a slot assigned either at a meter fix or at the arrival airport. Results reported in the paper are for two scenarios. The first scenario considers flights out of Dallas/Fort Worth destined for Hartsfield-Jackson International Airport in Atlanta flying through the Meridian meter-fix in the Memphis Center with miles-in-trail constraints. The second scenario considers flights destined to George Bush Intercontinental/Houston Airport with specified airport arrival rate constraint. Results show that delay reduction can be achieved by allowing reasonable speed changes in scheduling. It was determined that the traffic volume between Dallas/Fort Worth and Atlanta via the Meridian fix is low and the departures times are spread enough that large departure schedule uncertainty can be tolerated. Flights can depart early or late within 90 minutes without accruing much more delay due to miles-in-trail constraint at the Meridian fix. In the Houston scenario, 808 arrivals from 174 airports were considered. Results show that delay experienced by the 16 Dallas/Fort Worth departures is higher if initial schedules of the remaining 792 flights are kept unaltered while they are rescheduled. Analysis shows that the probability of getting the initially assigned slot back after perturbation and rescheduling decreases with increasing standard deviation of the departure delay distributions. Results show that most Houston arrivals can be expected to be on time based on the assumed zero-mean Normal departure delay distributions achievable by Precision Departure Release Capability. In the current system, airport-departure delay, which is the sum of gate-departure delay and taxi-out delay, is observed at the airports. This delay acts as a bias, which can be reduced by Precision Departure Release Capability.

Palopo, Kee↗

Off-spec fly ash-based lightweight aggregate properties and their influence on the fresh, mechanical, and hydration properties of lightweight concrete: A comparative study

An off-spec fly ash-based spherical lightweight aggregate (LWA), designated as Spherical Porous Reactive Aggregate (SPoRA), was manufactured through a lab pilot-scale production and its engineering properties, including specific gravity, dry rodded unit weight, water absorption, mechanical performance, and pore structure, were evaluated. Using SPoRA, lightweight concrete (LWC) samples were made and their fresh, mechanical, and hydration properties were assessed and compared with LWC samples made using two commercial LWA available in the US market. The results indicated that fine and coarse SPoRA had 72 h water absorption capacities of 16.4 % and 20.9 %, respectively, which were higher than that of the two commercial LWAs. Higher saturated surface dry specific gravity of SPoRA compared to commercial LWAs led to a higher fresh density for the corresponding LWC. Using X-ray computed tomography, large spherical type pores were observed in SPoRA similar to those in the commercial slate-based LWA. Additionally, the pore size distribution of SPoRA, characterized by a dynamic vapor sorption analyzer, indicated that more than 97 % of the pores had diameters greater than 50 nm. SPoRA’s average bulk crushing strength was 6.8 MPa which was smaller than commercial LWA and was potentially attributed to the differences in manufacturing processes. Nonetheless, SPoRA LWC with 28 days compressive strength of 29 MPa passed the ASTM C330 requirement and had a comparable strength with LWC prepared with the commercial LWAs indicating lesser importance for the LWA strength. SPoRA LWC had a flowability of 5 % compared to LWC prepared with commercial LWAs having flowability of 18 %. This observation was potentially related to the fluxing agent used in the SPoRA production. SPoRA had a 70 % degree of hydration at 12 days which was comparable with that of LWC prepared with commercial LWA.

36 MATERIALS SCIENCE↗