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At least 343 records · Page 19

Meshfree Multiphysics Damage Modeling of Li-ion Battery Materials

Through repeated charging and discharging cycles, the electrodes of a Li-ion battery experience significant swelling and contraction due to the movement of lithium, also known as intercalation. This research focuses specifically on the chemo-mechanical cracking in the cathode. Because cathode particles are comprised of many randomly-oriented grains, which have highly anisotropic material properties, the expansion and contraction is very non-uniform. As a result, stress concentrations tend to form between grains, which necessitates the modeling of crack propagation largely along grain boundaries and material interfaces. Chemo-mechanical damage models are generally simulated by one of two methods: the cohesive zone model (CZM) and the continuous damage model (CDM). The CZM is more accurate at capturing the sharp discontinuities of a crack but is very computationally expensive and intractable for large-scale models as a result. Conversely, the CDM is easily computed but not well-suited to easily allow for discontinuous field variables, which are inherent across a crack. This study aims to improve the CDM's ability to capture discontinuous cracks. Current versions of the CDM use the finite element method (FEM), which is one of the most widely used approaches for spatial discretization. This research investigates the use of the Reproducing Kernel Particle Method (RKPM), a meshfree method, for spatial discretization and aims to achieve a coupled chemo-mechanical crack propagation model that enhances accuracy while maintaining high computational efficiency. This model features a fully coupled, iterative electrochemistry solution, which informs the meshfree damage model of impending crack formation. To gain a better understanding of how the meshfree model compares to the current FEM model in capturing cathode crack propagation, further investigation is needed.

damage modeling↗

Passive tube closure valve

A passive tube closure valve comprising an elongated body extending along a first axis made of a shape memory alloy with a threshold contraction along the first axis at a threshold temperature. The closure valve further comprises a passageway extending along a second axis different from the first axis shaped to surround a conduit line extending along the second axis. The closure valve further includes a first modifying structure on a first portion of the passageway and a second modifying structure on a second portion of the passageway opposite the first modifying structure. Contraction of the elongated body can cause the first modifying structure and the second modifying structure to move towards each other; where movement of at least one of the first modifying structure or the second modifying structures can be configured to modify the conduit line.

Gherini, Michael James↗

Inadvertent actuation block valve for a small modular nuclear reactor

An inadvertent actuation block valve includes inlet and outlet orifices being in selective fluid communication via a chamber. A disc is disposed within the chamber and a bellows is configured to contract at a predetermined pressure differential between reactor fluid entering a reference pressure orifice and control fluid entering the inlet orifice. When the bellows contracts, the disc engages the outlet orifice and isolates fluid communication between the inlet and outlet orifices. The inadvertent actuation block valve prevents inadvertent opening of an emergency core cooling valve when a reactor is at operating pressure that is above the predetermined set pressure range. The inadvertent actuation block valve permits the emergency cooling valves to open and to remain open when reactor pressure is below the predetermined set pressure range. The inadvertent actuation block valve does not impede long term emergency cooling that occurs when the reactor is at low pressure.

O'Brien, Hugh S.↗

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗

Stabilization of colloidal crystals engineered with nucleic acid

A post-synthetic method for stabilizing colloidal crystals programmed from nucleic acid is disclosed herein. In some embodiments, the method relies on Ag + ions to stabilize the particle-connecting nucleic acid duplexes within the crystal lattice, essentially transforming them from loosely bound structures to ones with very strong interparticle links. In some embodiments, the nucleic acid is DNA. Such crystals do not dissociate as a function of temperature like normal DNA or DNA-interconnected colloidal crystals, and they can be moved from water to organic media or the solid state, and stay intact. The Ag + -stabilization of the nucleic acid (e.g., DNA) bonds is accompanied by a nondestructive contraction of the lattice, and both the stabilization and contraction are reversible with the chemical extraction of the Ag + ions, e.g., by AgCl precipitation with NaCl.

Mirkin, Chad A.↗

Low Count and Background Radionuclides Analysis - 20488

The US Department of Energy (DOE) is often faced with the need to evaluate radionuclides at low concentrations. When site sample data are likely to be close to threshold activity concentrations of interest, then the means by which the radiochemical analysis is performed and reported is critical. This situation can occur when differentiating from zero (presence/absence) for radionuclides that do not occur naturally, close comparison with environmental background for naturally occurring radionuclides, close comparison with a risk- or dose-based threshold concentrations of interest, or even comparisons across studies. There are several analytical issues that are of concern, but the two that appear to cause incorrect decisions to be made most often involve establishing detection limits and subtracting ambient background conditions in the laboratory. These issues are not critical when radionuclide activity concentrations are large relative to thresholds of concern, but they seem to be poorly understood when it matters. When the comparisons are important and are likely to be close to a threshold of interest, then the general contract with the analytical laboratories needs to be changed so that the right or appropriate data are obtained. The concern is that important decisions are made incorrectly more often as greater scrutiny is placed on DoE's radionuclide cleanup or monitoring decisions by the public and other stakeholders. Examples are presented of problems that have been observed for different projects, both within and outside the realm of DOE and NRC remediation and radioactive waste disposal problems, and solutions are offered that should lead to better data from which important decisions need to be made. The first example is from Los Alamos National Laboratory (LANL) and involves radionuclide concentrations in soil and rock beneath LANL's Material Disposal Area (MDA) G. An initial review of the data led to a conclusion that americium and plutonium are a long way present beneath MDA G. A more thorough review of the data that accounted properly for ambient background and the detection limits that had been established led to the opposite conclusion. Another example is from the Nevada National Security Site where tritium results from one of the wells were unexpectedly high. Proper understanding and analysis of ambient background led to the conclusion that the increased concentrations were not so obvious, and that a different contract with the analytical laboratory was needed to provide more appropriate data to support a better determination. Other examples are used from regulatory review of projects in Nevada, where background levels and secular equilibrium for naturally occurring radionuclides are not established correctly because of analytical issues. The same basic issues have also been found to create difficulties analyzing historical data from the West Valley Demonstration Project. There is evidence in the data that the apparent lack of secular equilibrium where it is expected to exist is related to ambient background subtraction or other analytical issues. A final example is presented for analysis of Tc-99 in samples of depleted uranium. In this case, two different studies that were performed only three months apart provide quite different results. The US Environmental Protection Agency (EPA) established the data quality objectives (DQO) process in the mid-1980's to establish decision performance criteria for data collection. EPA guidance (EPA G-4, for example) clearly distinguishes between DQOs and measurement performance objectives (MQOs) that should be addressed for laboratory analysis of samples. The language of DQOs and MQOs has become confused over time it seems, and the subsequent effects seem to include a lack of attention to decision performance and a routine approach to measurement quality. In order to better address radionuclide sample analysis when the concentrations are close to thresholds of concern, which might be zero for some radionuclides, background for others, and risk-based thresholds for yet others, it is important that routine laboratory analysis methods are adjusted, and that the project team and the laboratory work closely together to ensure that the data meets the MQO requirements of laboratory analysis and reporting of results, and that the MQOs effectively support project-specific DQOs. This basic approach will be applied in Los Alamos in the coming year to the collection of moisture data from underneath MDA T that will be analyzed for americium and neptunium isotopes. Proper understanding of the radiochemistry methods and reporting, and of appropriate statistical methods is critical to the success of such projects, ensuring that the right decisions are made. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

Interfacial Pressure Improves Calendar Aging of Lithium Metal Anodes

Lithium metal is a very attractive anode material because its theoretical specific capacity is approximately 10 times higher than conventional graphite anodes. Despite great promise, Li anodes suffer from capacity fade due to instabilities with the electrolyte as well as stranding of active Li. We have previously shown that applied interfacial pressure improves Li anode cycling because the pressure reduces the propensity for Li isolation and enables easier reconnection. Many researchers have also shown that calendar aging can lead to Li capacity loss and this has been attributed to either electrolyte decomposition with concurrent Li corrosion or to the formation of stranded Li. Our prior research focused on calendar aging during cycling suggests the mechanism for calendar aging is largely related to stranding of Li during rest and reconnection of the stranded Li upon further cycling, evidenced by similar average Coulombic efficiencies and Li loss in cells with and without rest. Because our calendar aging studies suggest Li stranding as a major cause of Coulombic efficiency drops and our Li cycling studies suggest this can be mitigated partially through applied interfacial pressure, we hypothesized that applied pressure would improve calendar aging by reducing stranded Li and enabling reconnection. We systematically varied applied pressure (0-1000 kPa) on Li metal anodes during cycling tests with and without intermittent calendar aging periods. Though the Coulombic efficiency decreases during aging periods, the lost capacity is recovered during subsequent cycles, as shown though average Coulombic efficiency and cumulative Li capacity loss analysis. We find that application of pressure partially mitigates calendar aging, in accordance with our hypothesis that calendar aging is caused by Li standing and can be mitigated to some degree with interfacial pressure. This is further supported by our results showing that the average Coulombic efficiency and cumulative Li capacity losses are similar over 50 cycles for cells that were continuously cycled and cells with periodic calendar aging periods. This result indicates that the losses during aging are reversible, which is consistent with Li stranding and reconnection. We show that pressure is one mitigation technique that helps reduce Li calendar aging in this study, but our finding that calendar aging is primarily governed by the stranding and reconnection of dead Li has wider implications. This research suggests that other mitigations which have been shown to prevent dead Li formation or encourage reconnection during cycling would also likely be successful for the purpose of improving calendar aging. The authors were supported by a Laboratory Directed Research and Development (LDRD) program. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC (NTESS), a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration (DOE/NNSA) under contract DE-NA0003525. This written work is authored by an employee of NTESS. The employee, not NTESS, owns the right, title and interest in and to the written work and is responsible for its contents. This work was authored in part by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Any subjective views or opinions that might be expressed in the written work do not necessarily represent the views of the U.S. Government.

applied pressure↗

A Path to Clean Energy: Cross-Subsidization Concerns From Local Solar Development in Frankfort, Kentucky That Can Apply to Other Communities

Municipal electricity utilities and communities with public power are increasingly interested in the opportunities afforded by locally-sited solar projects. Understanding the allocation of costs and benefits of a solar project across affected entities and stakeholders such as customer types can be critical for community buy-in. This case study looked specifically at an analysis done for the City of Frankfort and how plans to meet 100% of city government electricity loads with renewable energy by 2023 could affect an all requirements contract the city's municipal utility has with a regional electricity provider. While the results are specific to Frankfort and the electricity contracts in place at the time of the study, it is an example of how the question of cross-subsidization can be addressed using a quantitative study, with the goal of increasing transparency and buy-in across multiple stakeholders.

community solar↗

Undulating transducer for energy harnessing and propulsion apparatuses, methods and systems

Embodiments disclosed may serve the function of a pump, a generator, or a propulsion system. Two flexible fins are coupled via their longitudinal inner edges to fin coupling modules. An external fluid flow causes traveling fin undulations. The angle of the fins relative to each other changes as undulations travel along the fins which can be translated through the fin coupling modules into mechanical work, powered by the external fluid flow. The mechanical work of the fin coupling modules may be the cyclical extension and contraction of pistons or bellows incorporated into the fin coupling modules, which may draw ambient fluid during their extension cycles and compress fluid during their contraction cycles to create a pump. The pistons or bellows may also be sealed from ambient fluid but connected through conduits through which contained fluid is exchanged in a continuous circulation of fluid to power a pump or a turbine.

Filardo, Benjamin Pietro↗

UESC Overview and FEMP Resources for Project Success

The first part of this webinar provides an introduction to utility energy service contracts (UESCs) and describes the features and benefits of utilizing UESCs to install energy conservation measures at federal sites. The second part introduces the newly launched UESC On-Demand Training Series and other recently published FEMP resources. The modular series of short webinars has been designed to provide in-depth understanding of UESCs and is a great resource for federal agencies and utilities interested in UESC projects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ESPC ESA Training Series: Photovoltaic (PV) Project Considerations

This training covers technical, economic and other photovoltaic (PV) project considerations. Technical topics include cost-effectiveness, resilience, cybersecurity, and electrical considerations. In addition, other topics, such as compatibility with agency mission, site plans, coordination with the serving utility, the National Environmental Policy Act, and agency approval requirements. Considerations specific to third-party owned/third-party financed PV projects are also covered, as well as available resources and templates for project development. The training also includes a recap of the first session in the Energy Savings Performance Contracts Energy Sales Agreements (ESPC ESA) Webinar Series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

10 New Insights in Climate Science 2020 - a Horizon Scan

We summarize some of the past year’s most important findings within climate change-related research. New research has improved our understanding of Earth’s sensitivity to carbon dioxide, finds that permafrost thaw could release more carbon emissions than expected and that the uptake of carbon in tropical ecosystems is weakening. Adverse impacts on human society include increasing water shortages and impacts on mental health. Options for solutions emerge from rethinking economic models, rights-based litigation, strengthened governance systems and a new social contract. The disruption caused by COVID-19 could be seized as an opportunity for positive change, directing economic stimulus towards sustainable investments.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Effect of Tropical Pacific Air‐Sea Coupling on the Rainfall Response to Quadrupled CO 2 Forcing

We perform quadrupled CO 2 climate simulations with the Community Earth System Model version 1 (CESM1) to study how air-sea coupling affects the response of tropical rainfall under global warming. We use a hierarchy of ocean models to separate the effects of seasonal mixed-layer entrainment, wind-driven Ekman flows directed perpendicular to the wind, and the near-equator frictional flows directed in the same direction as the wind. We show that the Pacific Ocean's enhanced equatorial warming pattern (EEW) and equatorward ITCZ contraction observed in previous climate simulations emerge when the ocean model includes wind-driven Ekman and frictional flows. Furthermore, the near-equator frictional flow contributes more than half of the heat convergence in the equatorial Pacific Ocean. Finally, we show that although Ekman flow and near-equator frictional flow can both result in EEW, their coupled interactions with the Hadley circulation lead to opposite feedbacks on EEW's strength.

54 ENVIRONMENTAL SCIENCES↗

Wave function analysis with a maximum flow algorithm

An efficient algorithm for computing the maximum-flow path in a network is applied to the identification of the dominant configuration state functions (CSFs) in a graphically contracted function (GCF), configuration interaction, wave function. The flow network is a space of spin-adapted CSFs represented by a Shavitt graph, wherein the nodes correspond to orbital occupations and spin quantum numbers. The graph nodes are connected by arcs, and an arc density is defined as sums of the associated squared CSF coefficients. A max-min approach determines an upper bound to the maximum possible incoming flow for each graph node. A backtracking step generates a candidate walk and is followed by a limited search of alternative branching paths for the dominant CSF. The arc density contributions are removed from the graph, and the algorithm is reapplied to the updated graph. This list of generated walks can be partitioned in order to guarantee that the dominant CSFs have been identified. All of the steps in this algorithm are computationally efficient and do not depend on the potentially large dimension of the underlying linear CSF expansion space. An analysis of low-lying valence states of C-2 illustrates the method.

74 ATOMIC AND MOLECULAR PHYSICS↗

Relaxed tarantula skeletal muscle has two ATP energy-saving mechanisms

Myosin molecules in the relaxed thick filaments of striated muscle have a helical arrangement in which the heads of each molecule interact with each other, forming the interacting-heads motif (IHM). In relaxed mammalian skeletal muscle, this helical ordering occurs only at temperatures >20°C and is disrupted when temperature is decreased. Recent x-ray diffraction studies of live tarantula skeletal muscle have suggested that the two myosin heads of the IHM (blocked heads [BHs] and free heads [FHs]) have very different roles and dynamics during contraction. Here, we explore temperature-induced changes in the BHs and FHs in relaxed tarantula skeletal muscle. We find a change with decreasing temperature that is similar to that in mammals, while increasing temperature induces a different behavior in the heads. At 22.5°C, the BHs and FHs containing ADP.Pi are fully helically organized, but they become progressively disordered as temperature is lowered or raised. Our interpretation suggests that at low temperature, while the BHs remain ordered the FHs become disordered due to transition of the heads to a straight conformation containing Mg.ATP. Above 27.5°C, the nucleotide remains as ADP.Pi, but while BHs remain ordered, half of the FHs become progressively disordered, released semipermanently at a midway distance to the thin filaments while the remaining FHs are docked as swaying heads. We propose a thermosensing mechanism for tarantula skeletal muscle to explain these changes. Our results suggest that tarantula skeletal muscle thick filaments, in addition to having a superrelaxation–based ATP energy-saving mechanism in the range of 8.5–40°C, also exhibit energy saving at lower temperatures (<22.5°C), similar to the proposed refractory state in mammals.

59 BASIC BIOLOGICAL SCIENCES↗

Standardized CROAs Key Legal Provisions [Slides]

Standardized Carbon Dioxide Removal Agreements (CROA) Key Legal Provisions were compiled after the stakeholder discovery interviews and reviewing the existing contracts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Role of Blockchains in Multi-Stakeholder Transactive Energy Systems

Power grids are undergoing major changes due to rapid growth in renewable energy and improvements in battery technology. Prompted by the increasing complexity of power systems, decentralized solutions are emerging that arrange local communities into transactive microgrids. This paper addresses the problem of implementing transactive energy mechanisms in a distributed setting, providing both privacy and safety. Specifically, we design and implement an automated auction and matching system that ensures safety (e.g., satisfaction of line capacity constraints), preserves privacy, and promotes local trade and market efficiency for transactive energy systems. This design problem is challenging because safety, market efficiency, and privacy are competing objectives. We implement our solution as a decentralized trading platform built on blockchain technology and smart contracts. To demonstrate the viability of our platform, we analyze the results of experiments with dozens of embedded devices and energy production and consumption profiles using an actual dataset from the transactive energy domain.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Comparison of Intact Fish Skin Graft and Allograft as Temporary Coverage for Full-Thickness Burns: A Non-Inferiority Study

The extent and depth of burn injury may mandate temporary use of cadaver skin (allograft) to protect the wound and allow the formation of granulation tissue while split-thickness skin grafts (STSGs) are serially harvested from the same donor areas. However, allografts are not always available and have a high cost, hence the interest in identifying more economical, readily available products that serve the same function. This study evaluated intact fish skin graft (IFSG) as a temporary cover to prepare the wound bed for STSG application. Thirty-six full-thickness (FT) 5 × 5 cm burn wounds were created on the dorsum of six anesthetized Yorkshire pigs on day -1. To mimic the two-stage clinical situation, on day 0, wounds were excised down to a bleeding wound bed and a temporary cover (either IFSG or cadaver porcine skin) was applied; then, on day 7, wounds were debrided to a viable wound bed prior to the application of autologous 1.5:1 meshed STSG (mSTSG). Rechecks were performed on days 14, 21, 28, 45, and 60 with digital images, non-invasive measurements, and punch biopsies. The IFSG created a granulated wound bed receptive to the application of an mSTSG. FT burn wounds treated with an IFSG had similar outcome measures, including contraction rates, trans-epidermal water loss (TEWL) measurements, hydration, and blood perfusion levels, compared to cadaver skin-treated burn wounds. Pathology scoring indicated significant differences between the allograft- and IFSG-treated wounds on day 7, with the IFSG having increased angiogenesis, granulation tissue formation, and immune cells. Pathology scoring indicated no significant differences once mSTSGs were applied to wounds. The IFSG performed as well as cadaver skin as a temporary cover and was not inferior to the standard of care, suggesting the potential to transition IFSGs into clinical use for burns.

60 APPLIED LIFE SCIENCES↗