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At least 235 records · Page 13

Computational Investigation of MAX as Intercalation Host for Rechargeable Aluminum‐Ion Battery

Abstract Layered carbides and their analogs with MAX phase (general formula AM n+1 X n ) have emerged as promising candidates for energy storage and conversion applications. One frontier for energy storage is using MAX as an Al‐ion intercalation electrode. Given that many MAXs have Al as the A sites, the structure can potentially serve as a stable host for Al intercalation. Here in this work, 425 ternary MAX Al‐ion battery electrodes are computationally enumerated. Specifically, first principal phase diagram calculations are performed on the combinatorial space of 17 types of typical transition metals, five types of anions (C, N, B, Si, and P), three types of stoichiometries (n = 1, 2, and 3) and two types of layered stackings (α and β). Among all the ternary MAX materials, 44 candidates show reasonable synthetic accessibility, and six with extraordinary performance are predicted to be promising Al‐ion battery electrodes. With the phase stability, and electrochemical performance (average voltage, theoretical capacity, energy density, and Al diffusion barrier), the work provides a comprehensive computational assessment of the great opportunities behind MAX‐based Al‐ion batteries.

Chemistry↗

Multiple simultaneous faults’ impacts on air-conditioner behavior and performance of a charge diagnostic method

Although there have been several studies that have focused on the effects of faults on the performance and on the characteristic features that could be used to detect faults, almost none of the research has studied the effects of multiple simultaneous faults. Existing fault detection and diagnosis approaches that have been developed based on single faults may struggle with simultaneous faults. Here, this paper is part of a series that present a methodology and comprehensive measurement data from a battery of laboratory tests on an air-conditioner with combinations of common faults (refrigerant charge, evaporator airflow, non-condensable gas, and liquid line restrictions) imposed, to show how the indicator variables and overall performance are impacted. The system has a microtube condenser and a fixed-orifice (FXO) expansion device, which are found to affect the features’ fault sensitivity. This experiment is the first to test these combined faults in an FXO-equipped system, so comparisons are made to a previously studied thermostatic expansion valve-equipped system. Finally, a promising charge diagnostic technology is assessed, to see how it is impacted by other faults. The faults reduced capacity by up to 42%, and efficiency by up to 39%. The charge diagnostic performed well, even with multiple faults present.

42 ENGINEERING↗

Qualification of SAS4A/SASSYS-1 for Sodium-Cooled Fast Reactor Authorization and Licensing (Final CRADA Report)

This project focuses on assessment and qualification of the SAS4A/SASSYS-1 advanced reactor safety analysis code and its capacity to fulfill requirements associated with license/authorization of a sodium-cooled fast reactor (SFR). Specific objectives of this proposal include: development of a formal documentation requirements matrix that complies with a vendor’s NQA-1 program to identify needs for qualification documentation; completion of software methods qualification gap analysis to identify and close gaps in the verification and validation basis of the software; generation of an Acceptance Test Report to confirm compliance with the software requirements specification; and closure of gaps in Software Design Description (SDD) to assist with the eventual generation of a Modeling Licensing Topic Report (LTR).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Technical and Economic Assessment and Gap Analysis of Advanced Nuclear Reactor Integration with a Reference Oil Refinery

Efforts to identify the most-economic methods to decarbonize several sectors of the U.S. economy are underway. Industrial processes such as crude-oil refining rely heavily on energy-dense and easily stored and transported fossil fuels for powering their operations. Refineries use large amounts of energy, primarily derived from fossil sources to separate crude-oil components, break down heavier hydrocarbons into lighter compounds, remove impurities, reform hydrocarbon molecules, and generate steam and electricity for pumps and compressors and other various auxiliary systems. Crude-oil refining operations such as distillation, cracking, desulfurization, reforming, utilities systems and some offsite facilities collectively account for most of the energy consumption. Other operations such as hydrocracking or hydrotreating also require hydrogen for developing hydrogenation reactions which involve substantial heating to keep the reactors at high-temperature and pressure levels. All heat and energy demands are typically provided by natural gas (NG), oil, or other fuels, which makes refinery industry one of the most-difficult sectors to decarbonize. Nuclear power is a viable and energy-dense source of clean electricity, heat, and hydrogen to provide the large, sustainable energy supply that the refining industry demands. The U.S. Department of Energy’s (DOE’s) Integrated Energy Systems (IES) program is working to perform research and development, design, economic siting, and risk analysis. This state-of-the-art work will enable the first on-site demonstrations and commercial deployments of advanced small modular nuclear reactors (SMNRs) integrated with industries such as chemical production, refining, iron and steel making, and more. IES seeks to demonstrate the ability of advanced nuclear reactors to meet the heat and power demands of these industries while reducing carbon emissions in a sustainable and cost-competitive way. The primary objective of this research effort is to analyze industrial-scale SMNR integration intended to decarbonize refining facilities. The foreseen outcome is the provision of reliable, cost-competitive, and sustainable clean energy, alongside a reduction of carbon emissions. Specifically, the focus of this work lies on meeting the reference facilities’ heat and electricity demands with nuclear power while also supplying clean hydrogen via integrated high-temperature steam electrolysis (HTSE). This report presents a comprehensive technical and economic assessment of the integration of advanced nuclear reactors into a reference refinery, leveraging financial incentives from the Inflation Reduction Act (IRA). The evaluation aims to explore the potential economic benefits and challenges associated with incorporating advanced nuclear reactors into refinery operations, particularly in terms of energy efficiency, economic implications and environmental impact. By examining both the technical feasibility and economic viability, this analysis seeks to identify existing gaps and propose solutions for successful nuclear integration implementation. The findings are intended to provide valuable insights for stakeholders considering the adoption of advanced nuclear reactors in the refining sector. A refinery reference-plant was developed, using an open-source refinery model, Petroleum Refinery Lifecycle Inventory Model (PRELIM) and expert assessment, as a base case for comparison with various nuclear integration options. The capacity of 100 kbd/day (KBD) of heavy crude-oil feed was selected to represent a general coking-type refinery with deep conversion capabilities (incorporating heavy-oil upgrading with FCC, coking, and associated hydrotreating process units), using a heavy crude-oil feed, which represents about 70% of U.S. refineries configurations. A summary of all cases considered in this study is shown in Table 1.

13 HYDRO ENERGY↗

A pronounced decline in northern vegetation resistance to flash droughts from 2001 to 2022

Climate change has led to the transition of droughts into rapid and intensified phenomena known as flash droughts, presenting considerable challenges for risk management, particularly concerning their impact on ecosystem productivity. Quantifying the ecosystem’s capacity to maintain productivity during flash droughts, referred to as ecosystem resistance, is crucial to assess drought impacts. However, it remains uncertain how the resistance of ecosystem productivity to flash drought changes over time. Here we show that vegetation resistance to flash droughts declines by up to 27% (±5%) over the Northern Hemisphere hotspots during 2001-2022, including eastern Asia, western North America, and northern Europe. The notable decline in vegetation resistance is mainly attributed to increased vapour pressure deficit and temperature, and enhanced vegetation structural sensitivity to water availability. Flash droughts pose higher ecological risks than slowly-developing droughts during the growing seasons, where ecosystem productivity experiences faster decline rates with a shorter response time. Our results underscore the limited ecosystem capacity to resist flash droughts under climate change.

54 ENVIRONMENTAL SCIENCES↗

A workflow to assess the efficacy of brine extraction for managing injection-induced seismicity potential using data from a CO 2 injection site near Decatur, Illinois

Injection of CO 2 for storage in a geologic formation increases pore pressure and alters in situ stresses. Depending on the orientation of any existing fault and fracture planes, such as critically stressed planes, this stress alteration will modify normal stresses acting on planes and could result in frictional sliding and release stored energy in the form of seismicity. Brine extraction (BE) is a technique that can be applied prior to, or during, CO 2 injection to reduce pore pressure for increasing storage capacity and, potentially, for reducing the likelihood of frictional sliding. Here a workflow is described to assess the efficacy of BE for mitigating frictional sliding (i.e., seismicity) during injection and entails: site characterization, stress calculations and failure assessment, static and dynamic modeling, and BE operational planning. Site characterization describes the stress field used to calculate the Coulomb Failure Function (CFF) that constrains allowable pore pressure changes and injection rates in the numerical simulation of CO 2 injection scenarios. The inclusion of BE in the workflow allows for determination of the potential need for pressure reduction, and evaluation of the effectiveness of this operation. Example application of the workflow using an injection field dataset near Decatur, IL, provides insight on fracture planes and stresses at the site, formation properties and the impact of variable CO 2 injection-rate targets on whether BE plans are required. The study workflow indicates that BE could enhance CO 2 injection rate by 39% and correspondingly reduce the potential for injection-induced seismicity as indicated by a reduction in CFF.

58 GEOSCIENCES↗

Enduring Transuranic Liquid Waste Volume Forecast and Constituent Evaluation (FY20)

The “FY11 Radioactive Liquid Waste (RLW) Influent Boundary Condition Assessment and Forecast” report provided influent volume forecasts that were critical in establishing the design capacity for the new Radioactive Liquid Waste Transuranic (RLW-TRU) capability. The design for the new RLW-TRU capability was paused as the final design was being completed and prior to the transition of the new management and operations contract for Los Alamos National Laboratory (LANL). Recently, NNSA has directed the project to restart and complete the design effort. As part of the restart process, LANL was asked to validate or document any material changes in the influent volumes or constituents that formed the design basis for the new capability. This analysis updates the transuranic liquid waste influents volumes, incorporating the changes in the LANL program of record since the FY11 assessment, and includes a cursory validation of influent constituents. The results of the FY19 update to influent volume forecasts shows: 1) the influent volume of 29,000 L should continue to be used as the project design-basis; 2) There have been no material changes in the operational processes that would change the constituents of concern from either a treatment or material compatibility perspective.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Assessing cathode–electrolyte interphases in batteries

The cathode-electrolyte interphase plays a pivotal role in determining the usable capacity and cycling stability of electrochemical cells, yet it is overshadowed by its counterpart, the solid-electrolyte interphase. This is primarily due to the prevalence of side reactions, particularly at low potentials on the negative electrode, especially in state-of-the-art Li-ion batteries where the charge cutoff voltage is limited. However, as the quest for high-energy battery technologies intensifies, there is a pressing need to advance the study of cathode-electrolyte interphase properties. Here, we present a comprehensive approach to analyse the cathode-electrolyte interphase in battery systems. We underscore the importance of employing model cathode materials and coin cell protocols to establish baseline performance. Additionally, we delve into the factors behind the inconsistent and occasionally controversial findings related to the cathode-electrolyte interphase. In conclusion, we also address the challenges and opportunities in characterizing and simulating the cathode-electrolyte interphase, offering potential solutions to enhance its relevance to real-world applications.

25 ENERGY STORAGE↗

Performance of wind assessment datasets in United States coastal areas

The atmospheric dynamics that occur near the intersection of land and water offer exciting and challenging opportunities for wind energy deployment in coastal locations. New models and tools are continually being developed in support of wind resource assessment, and three recent products are explored in this work for their performance in representing characteristics of the wind resource at coastal locations: the Global Wind Atlas 3 (GWA3), the 2023 National Offshore Wind dataset (NOW-23), and the wind climate simulations that are a component of the Wind Integration National Dataset (WIND) Toolkit Long-Term Ensemble Dataset (WTK-LED Climate). These relatively new products are freely available and user-friendly so that anyone – from a utility-scale developer to a resident or business owner – can evaluate the potential for wind energy generation at their location of interest. The validations in this work provide guidance on the accuracy of wind resource assessments for coastal customers interested in installing small or midsize wind turbines (≤ 1 MW in capacity) to support energy needs at the residential, business, or community scale, such as the island and remotely located participants of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. At 23 coastal locations across the United States, dataset performance varies according to different evaluation metrics. All three recent datasets tend to overestimate the observed coastal wind resource. GWA3 produces the smallest annual average wind speed relative errors, whereas WTK-LED Climate is in best agreement in terms of representing diurnal wind speed cycles. NOW-23 is the highest performing of the datasets for representing seasonal and interannual trends in the coastal wind resource. While GWA3 and WTK-LED Climate are relatively insensitive to the dataset output heights selected for wind resource assessment at small and midsize wind turbine hub heights (20–60 m), significant variation in the NOW-23 representation of wind shear across the wind profile in the lowest 100 m of the atmosphere leads to notable differences in wind speed estimates according to the dataset output heights selected for evaluation. GWA3 exhibits challenges in the representation of observed wind speed diurnal cycles at small and midsize turbine hub heights, likely due to the dataset's consistent treatment of hourly wind speed trends regardless of altitude.

17 WIND ENERGY↗

Empowering Rural Electrification in Honduras: An Integrated Assessment of PV/BESS and Productive Uses of Electricity in Gracias a Dios

Honduras faces significant challenges in its energy sector, particularly in rural areas where access to reliable and affordable electricity remains limited. The flagship rural electrification initiative for Honduras Secretary of Energy (SEN) is the Politica de Acceso Universal a la Electricidad (PAUEH - Universal Electricity Access Policy), a key solution for addressing this energy poverty is the deployment of more than 1700 distributed solar and hybrid mini-grid solutions. In late 2023 as a first step towards supporting SEN's electrification efforts, the National Renewable Energy Laboratory (NREL) developed a literature review of SEN electrification policy documents and conducted a series of technical capacity-building workshops with SEN and other energy sector stakeholders in Honduras focused on using NREL's open-source REopt tool to conduct techno-economic assessments and develop least-cost optimizations for potential solar + storage mini-grid systems. Building on some initial capacity building on mini-grid modeling, the National Renewable Energy Laboratory (NREL) worked with SEN to develop a detailed techno-economic assessment for electrifying two schools, a healthcare clinic, and a hospital in a hypothetical community within the department of Gracias a Dios. The analysis also evaluates the business case for cold storage productive use of energy (PUE) applications for the fisheries value chain and how the incorporation of these PUE loads potentially impacts both the viability of the PV+BESS solutions as well as local economic development. By assessing the potential for deployment of integrated PV/BESS systems to both support critical community services like education and healthcare, as well as potential for downstream enterprise and economic development, this analysis represents a first step that can help to inform specific strategies for development of pilot PV+BESS projects aligned with national priorities and sector level planning under PAUEH.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Fortalecimiento de la Electrificación Rural en Honduras: Una Evaluación Integrada de PV+BESS y Usos Productivos de la Electricidad en Gracias a Dios, Honduras [Empowering Rural Electrification in Honduras: An Integrated Assessment of PV/BESS and Productive Uses of Electricity in Gracias a Dios] (Spanish Translation)

Honduras faces significant challenges in its energy sector, particularly in rural areas where access to reliable and affordable electricity remains limited. The flagship rural electrification initiative for Honduras Secretary of Energy (SEN) is the Politica de Acceso Universal a la Electricidad (PAUEH - Universal Electricity Access Policy), a key solution for addressing this energy poverty is the deployment of more than 1700 distributed solar and hybrid mini-grid solutions. In late 2023 as a first step towards supporting SEN's electrification efforts, the National Renewable Energy Laboratory (NREL) developed a literature review of SEN electrification policy documents and conducted a series of technical capacity-building workshops with SEN and other energy sector stakeholders in Honduras focused on using NREL's open-source REopt tool to conduct techno-economic assessments and develop least-cost optimizations for potential solar + storage mini-grid systems. Building on some initial capacity building on mini-grid modeling, the National Renewable Energy Laboratory (NREL) worked with SEN to develop a detailed techno-economic assessment for electrifying two schools, a healthcare clinic, and a hospital in a hypothetical community within the department of Gracias a Dios. The analysis also evaluates the business case for cold storage productive use of energy (PUE) applications for the fisheries value chain and how the incorporation of these PUE loads potentially impacts both the viability of the PV+BESS solutions as well as local economic development. By assessing the potential for deployment of integrated PV/BESS systems to both support critical community services like education and healthcare, as well as potential for downstream enterprise and economic development, this analysis represents a first step that can help to inform specific strategies for development of pilot PV+BESS projects aligned with national priorities and sector level planning under PAUEH. This is the Spanish translation of NREL/TP-7A40-90865.

14 SOLAR ENERGY↗

Origins of heat transport anisotropy in MoTe2 and other bulk van der Waals materials

Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is crucial for thermal management of emerging 2D materials devices and design of novel anisotropic thermoelectric materials. Despite the importance, anisotropic heat transport in vdW materials is yet to be systematically studied and is often presumably attributed to anisotropic speeds of sound in vdW materials due to soft interlayer bonding relative to covalent in-plane networks of atoms. In this work, we investigate the origins of the anisotropic heat transport in vdW materials, through time-domain thermoreflectance (TDTR) measurements and first-principles calculations of anisotropic thermal conductivity of three different phases of MoTe 2 . MoTe 2 is ideal for the study due to its weak anisotropy in the speeds of sound. We find that even when the speeds of sound are roughly isotropic, the measured thermal conductivity of MoTe 2 along the c-axis is 5–8 times lower than that along the in-plane axes. We derive meaningful characteristic heat capacity, phonon group velocity, and relaxation times from our first principles calculations for selected vdW materials (MoTe 2 , BP, h-BN, and MoS 2 ), to assess the contributions of these factors to the anisotropic heat transport. Interestingly, we find that the main contributor to the heat transport anisotropy in vdW materials is anisotropy in heat capacity of the dominant heat-carrying phonon modes in different directions, which originates from anisotropic optical phonon dispersion and disparity in the frequency of heat-carrying phonons in different directions. Further, the discrepancy in frequency of the heat-carrying phonons also leads to ~2 times larger average relaxation times in the cross-plane direction, and partially explains the apparent dependence of the anisotropic heat transport on the anisotropic speeds of sound. This work provides insight into understanding of the anisotropic heat transport in vdW materials.

36 MATERIALS SCIENCE↗

Impact of cycling conditions on lithium-ion battery performance for electric vertical takeoff and landing applications

The development of better electrochemical energy storage systems has sparked significant interest in using Li-ion batteries for electric vertical takeoff and landing (eVTOL) applications. To ensure the optimal performance and safety of onboard batteries, their behavior under different charging/discharging protocols and environmental conditions must be understood. Here, this paper presents a comprehensive evaluation of commercial Li-ion batteries for eVTOL applications, focusing on their responses to varying charging/discharging strategies and mechanical vibrations experienced during flight. Through controlled experiments, the effects of rapid cycling on battery performance were investigated, including effects on lifespan, capacity, and internal resistance. Additionally, the impact of mechanical vibrations on battery behavior was assessed to identify potential challenges for onboard batteries. The results of this study revealed intriguing insights into the interplay between temperature, vibration, and battery performance. This work contributes to the broader adoption of electric aerial transportation, promising a greener and safer future for urban mobility.

18650 cells↗

Numerical Modeling and Parametric Study of a Dual Purpose Underground Thermal Battery

Buildings’ thermal energy systems for providing space heating/cooling consume a considerable amount of electricity nationwide. Integrating thermal energy storage with buildings’ thermal systems has the potential to shave the peak electric demand and to overcome the mismatch between the intermittent renewable power and the fluctuating daily demand for electricity. A novel dual-purpose underground thermal battery (DPUTB) has been developed to provide diurnal thermal energy storage in conjunction with a dual-source heat pump (DSHP)system. A two-dimensional numerical model is developed to simulate the transient performance of the DPUTB. This model has similar accuracy as a detailed three-dimensional model developed with commercial heat transfer and fluid dynamics simulation program but with 1000 times faster computational speed. A parametric study is performed to identify a design of the DPUTB that can provide 14 kWh thermal storage capacity for each charging and discharging cycle. A system simulation has been developed to assess the performance of the designed DPUTB when it is integrated with a DSHP for conditioning a typical residential building in summer and winter. Simulation results indicate that the DPUTB can meet all the design requirements in both summer and winter with the simple rule-based control strategy and the overall integrated DPUTB and DSHP system can shift the electric load for meeting the thermal demand from the peak hours to off-peak hours during a day, which would result in considerable energy cost savings if a Time of Use electricity tariff is applicable.

25 ENERGY STORAGE↗

Williston Basin Resource Study for Commercial-Scale Subsurface Hydrogen Storage

This closeout presentation summarizes a Department of Energy–funded study that evaluated whether large amounts of hydrogen can be safely stored underground in the North Dakota portion of the Williston Basin. The project combined lab testing, computer simulations, and basin‑wide analysis to assess saline formations, depleted oil and gas reservoirs, and salt formations for hydrogen storage capacity, recovery, and risks. Results show that underground hydrogen storage is technically feasible across multiple formation types, with depleted oil and gas reservoirs offering higher recovery and saline formations providing large long‑term storage potential. The study also identifies key challenges—such as wellbore material durability and gas purity management—and recommends pilot projects and further site‑specific studies to support future commercialization.

08 HYDROGEN↗

VIC-Global Parameter Dataset Sensitivity with the Variable Infiltration Capacity Model: Evaluating the importance of dynamic land surface parameters when using the VIC-Global parameter dataset

Accurate prediction of runoff is essential to water resources management, flood risk assessment, and ecosystem protection. However, many hydrological models still have relatively substantial limitations when representing the influence of land use and land cover (LULC) on runoff generation and routing. Changes in LULC, such as deforestation, urban expansion, agricultural intensification, and wetland loss, have been shown to alter the water balance at the land surface through fundamental hydrologic processes (e.g., interception, infiltration, evapotranspiration, and soil storage). However, it remains an open question what the exact magnitude and timing of these impacts are for the spatial and temporal scales commonly used in engineering applications. In this analysis we focus on one aspect of recent LULC change for assessing human impacts, which is urbanization. Specifically we seek to determine the impacts of urbanization on the magnitude and timing of surface runoff and baseflow in HUC-12 basins in Clark County, Nevada which has experienced rapid urbanization. We use the Variable Infiltration Capacity (VIC) hydrology model with a widely used off-the-shelf dataset of land surface parameters, VIC-Global, both of which have been commonly used in the past for water and energy balance modeling for large scale hydrologic studies. We examine two scenarios where the first scenario removes all urbanized land cover and parameterizes those areas of the basins as barren or open shrubland. The second scenario tests the opposite case where all areas of the basins are classified as urban regardless of their present classification. The results from the VIC model show there is a low sensitivity for daily surface runoff between scenarios. The daily baseflow values indicate similar low sensitivity to the classification change during specific periods, but then have substantial differences during other period when large precipitation events are occurring. This is likely due to the assumed parameter values for the urban land cover classification made by the VIC-Global dataset. Using a static land cover parameterization is reasonable for large domain hydrology models that are being used for near-term planning horizons (<30 years). However, longer planning horizons where feedbacks between the atmosphere and land surface are important, especially in transient climate situations, considerations for how to update land surface parameters should be incorporated.

42 ENGINEERING↗

Evaluation of thermal energy storage for central receiver concentrating solar power plants under charging cycles through structural assessment

Electricity production by concentrated solar power (CSP) systems has stood out among energy transition alternatives due to their large generation capacity (between 30 MW and 400 MW) and high capacity factor (80%) when incorporating thermal storage systems (TES). Although TES tanks in operation worldwide are made of austenitic steels with remarkable mechanical and anticorrosive properties, operational failures have been reported due to low-cycle fatigue, creep, and the abrupt release of residual stresses generated during tank manufacturing. A critical operation for salt tanks is the initial daily charging operation, given the low fluid level and the thermal gradients between the inventory and the salt entering the tank. This study presents a structural simulation of a 39.6 m-diameter molten salt tank for central receiver CSP plants, accounting for temperature and pressure variations during charging and different sparger ring inlet configurations. The initial pre-stressed condition of the floor, resulting from the manufacture of welded plates, is used as a boundary condition. The fatigue and creep life analyses were performed in accordance with the ASME BPVC and API standards. It was found that the tank's floor is in a less favourable mechanical condition than the wall, due to its initial manufacturing condition and the maximum temperature differences during charging. A critical zone was identified in an area affected by residual stress on the floor and under the sparger ring. The baseline sparger ring configuration, with 52 2-inch-diameter orifices and a flow direction of 90 degrees , results in an average floor stress of approximately 25 MPa and creep damage after 1.2 years of tank operation.

14 SOLAR ENERGY↗