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At least 415 records · Page 23

A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions

This work examines the viability of matrix completion methods as cost-effective alternatives to full nuclear Hessians for calculating quantum and variational effects in chemical reactions. The harmonic variety-based matrix completion (HVMC) algorithm, developed in a previous study (https://doi.org/10.1063/5.0018326), exploits the low-rank character of the polynomial expansion of potential energy to recover, using a small sample, vibrational frequencies (square roots of nuclear Hessian eigenvalues) constituting the reaction path. Furthermore, these frequencies are essential for calculating rate coefficients using variational transition state theory with multidimensional tunneling (VTST-MT). HVMC performance is examined for four SN2 reactions and five hydrogen transfer reactions, with each H-transfer reaction consisting of at least one vibrational mode strongly coupled to the reaction coordinate. HVMC is robust and captures zero-point energies, vibrational free energies, zero-curvature tunneling, and adiabatic ground state and free energy barriers as well as their positions on the reaction coordinate. For medium to large reactions involving H-transfer, with the exception of the most complex Ir catalysis system, less than 35% of total eigenvalue information is necessary for accurate recovery of key VTST-MT observables.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancing Grid Resilience with HIVE: Decentralized V2G Coordination for Black Starts

This paper proposes the HIVE (Harmonized Integration of Vehicle Energy for Grid Support) model, a novel game-theoretic framework for decentralized coordination of electrified vehicles to enable black start and load restoration during grid outages. In the absence of a central controller, HIVE employs a cooperative game to model vehicle interactions, allowing autonomous decision-making while admitting to a Nash equilibrium for grid restoration. The framework addresses the heterogeneity of vehicles and their operational constraints, selecting a lead vehicle for grid-forming and coordinating grid-following vehicles to support prioritized loads. Applied to a hospital blackout scenario, HIVE demonstrates robust performance in forming an islanded microgrid and sustaining critical loads under varying vehicle availability, state of charge, and power constraints. Simulation results highlight the model’s effectiveness in ensuring decentralized coordination of energy allocation and prioritizing loads, offering a scalable solution for resilient grid operations.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗

Regional Geology Capstone Report for the Midwestern Regional Carbon Sequestration Partnership (Volume V)

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. The MRCSP regional geology Capstone report summarizes the regional characterization of geologic storage subtasks performed under MRCSP Phase III. The regional characterization work was completed by the state geological surveys of Delaware, Indiana, Kentucky, Maryland, New York, Ohio, Pennsylvania, and West Virginia along with Western Michigan University and Rutgers University. Building on the Phases I and II, the Phase III research was focused on key research topics identified in previous MRCSP efforts: [1] Regional Geologic Cross Sections for Potential Storage and Containment Zones; [2] Appalachian Basin: Enhanced Recovery Opportunities; [3] Michigan Basin: Assessment of Enhanced Oil Recovery Using Carbon Dioxide in Silurian Pinnacle Reefs; [4] Mid-Atlantic Coastal Plain and Adjacent Offshore Region: Characterization of Carbon Storage Targets; [5] Ordovician-Cambrian Units: Hierarchical Evaluation of Geologic Carbon Storage Resource Estimates; [6] Upper Silurian to Middle Devonian Strata of Ohio: Structural Characterization of Potential CO 2 Reservoirs and Adjacent Strata; [7] Triassic Rift Basins: Preliminary Study of Long-Term CO 2 Storage Potential Together, the regional characterization effort developed useful products to support project developers, policy makers and other stakeholders in the MRCSP region seeking to understand where potential storage exists relative to large stationary sources of CO 2 emissions.

01 COAL, LIGNITE, AND PEAT↗

Structural complexity in the f -block: small deviations of the complexation of lanthanides by O,Oʹ -diethylmonothiophosphate

Dithiophosphinic acids undergo radiolytic degradation during the extraction of actinides in used nuclear fuel. These will degrade into monothiophosphinic acids and then to phosphinic acids. To elucidate how the complexes that are formed during these radioactive separations change as the ligand degrades, the mixed donor ligand O,O′- diethylmonothiophosphate is chosen as an analog for the monothiophosphinic intermediate. Herein, the monothiophosphate complexes Ln 2 (OPS(OEt) 2 ) 6 (H 2 O) 8 (Ln = La) (La 2 L 6 H 2 O), Ln 2 (OPS(OEt) 2 ) 6 (EtOH) 4 (Ln = La) (La 2 L 6 EtOH), K 2 [Ln(OPS(OEt) 2 ) 5 (H 2 O) 2 ]·H 2 O·CH 2 Cl 2 , (Ln = Ce) (CeL 5 -α), K 2 [Ln(OPS(OEt) 2 ) 5 (H 2 O) 2 ]·H 2 O·CH 2 Cl 2 , (Ln = Pr) (PrL 5 -β), K[Ln(OPS(OEt) 2 ) 4 (H 2 O) 3 ], (Ln = Pr, Sm-Er) (ML 4 ), and K 3 [Ln(OPS(OEt) 2 ) 6 ], (Ln = Dy) (DyL 6 ) were synthesized and characterized using single-crystal X-ray diffraction and optical spectroscopy. Although the lanthanides contract in a nearly linear fashion, the structural changes observed as the f-block is traversed in these compounds are not necessarily a hard line but more so a blend of different structure types possible for each f-element. Furthermore, comparison of the Ln−O bond lengths shows a nearly linear contraction, but the Ln−S bond lengths do not monotonically decrease because of the hard Lewis acidity of the Ln 3+ cations.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Charge state-dependent symmetry breaking of atomic defects in transition metal dichalcogenides

Abstract The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strongly impact their optical emission properties and spin-photon interface. Here we report on the direct imaging of charge state-dependent symmetry breaking of two prototypical atomic quantum emitters in mono- and bilayer MoS 2 by scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM). By changing the built-in substrate chemical potential, different charge states of sulfur vacancies (Vac S ) and substitutional rhenium dopants (Re Mo ) can be stabilized. $${\mathrm{Vac}}_{{{{{{{{\rm{S}}}}}}}}}^{-1}$$ Vac S − 1 as well as $${{\mathrm{Re}}}_{{{{{{{{\rm{Mo}}}}}}}}}^{0}$$ Re Mo 0 and $${\mathrm{Re}}_{{\rm{Mo}}}^{-1}$$ Re Mo − 1 exhibit local lattice distortions and symmetry-broken defect orbitals attributed to a Jahn-Teller effect (JTE) and pseudo-JTE, respectively. By mapping the electronic and geometric structure of single point defects, we disentangle the effects of spatial averaging, charge multistability, configurational dynamics, and external perturbations that often mask the presence of local symmetry breaking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

HarDWR - Harmonized Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. Here we present a new dataset of western U.S. water rights records. This dataset provides consistent unique identifiers for each spatial unit of water management across the domain, unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of 7 broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of intersectoral water allocation changes through water markets (Grogan et al., in review). Specifically, the data were formatted for use as input to a process-based hydrologic model, WBM, with a water rights module (Grogan et al., in review). While this specific study motivated the development of the database presented here, U.S. west water management is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al, 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. west. The raw downloaded data for each state is described in Lisk et al. (in review), as well as here. The dataset is a collection of objects stored within an RDate file, stateWaterRightsHarmonized.RData. Each object either describes how one should interact with the other objects, or contains the harmonized water rights data. Here is each object described in detail: states: A character vector containing the state names for those states in which data was collected for. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the third index in this object, the data for California will also be in the third index for each accompanying list. rightsByState_ground: A list of data frames with the cleaned ground water rights collected from each state. The column headers for each data frame are: waterRightID - The unique identifying ID of the water right, the same identifier as its state uses. basinNum - The alpha-numeric identifier of the WMA the record belongs to. priorityDate - The priority date associated with the right. allocatedFlow - The maximum flow of the allocation in cubic feet per second (ft3s-1). source - Whether the right is for surface water or groundwater. origWaterUse - The original stated water use from the state. waterUse - The water use category under the unified use categories established here. rightsByState_surface: A list of the cleaned surface water rights collected from each state. See rightsByState_ground for more details on how the data is formatted. fullRightsRecs: A list of the combined groundwater and surface water records for each state. Essentially, these lists are the merging of rightsByState_ground and rightsByState_surface by state. See rightsByState_ground for more details on how the data is formatted. projProj: The spatial projection used for map creation in the beginning of the project. Specifically, the World Geodetic System (WGS84) as a coordinate reference system (CRS) string in PROJ.4 format. wmaStateLabel: The name and/or abbreviation for what each state legally calls their WMAs. h2oUseByState: A list of spatial polygon data frames which contain the area(s) in which each water right is claimed to be used. It should be noted that not all water right records have a listed area(s) of use in this object. Currently, only Idaho and Washington provided valid data to be included in this object. h2oDivByState: A list of spatial points data frames which identifies the location of the Point of Diversion for the state's water rights. It should be noted that not all water right records have a listed Point of Diversion in this object. spatialWMAByState: A list of spatial polygon data frames which contain the spatial WMA boundaries for each state. The only data contained within the table are identifiers for each polygon. It is worth reiterating that Arizona is the only state in which the surface and groundwater WMA boundaries are not the same. wmaIDByState: A list which contains the unique ID values of the WMAs for each state. plottingDim: A character vector used to inform mapping functions for internal map making. Each state is classified as either "tall" or "wide", to maximize space on a typical 8x11 page.

Economics↗

State changes: insights from the U.S. Long Term Ecological Research Network

Understanding the complex and unpredictable ways ecosystems are changing and predicting the state of ecosystems and the services they will provide in the future requires coordinated, long-term research. This paper is a product of a U.S. National Science Foundation funded Long Term Ecological Research (LTER)network synthesis effort that addressed anticipated changes in future populations and communities. Each LTER site described what their site would look like in50 or 100 yr based on long-term patterns and responses to global change drivers in each ecosystem. Common themes emerged and predictions were grouped into state change, connectivity, resilience, time lags, and cascading effects. Here, we report on the “state change” theme, which includes examples from the Georgia Coastal (coastal marsh), Konza Prairie (mesic grassland), Luquillo(tropical forest), Sevilleta (arid grassland), and Virginia Coastal (coastal grassland) sites. Ecological thresholds(the point at which small changes in an environmental driver can produce an abrupt and persistent state change in an ecosystem quality, property, or phenomenon) were most commonly predicted. For example, in coastal ecosystems, sea-level rise and climate change could convert salt marsh to mangroves and coastal barrier dunes to shrub thicket. Reduced fire frequency has converted grassland to shrubland in mesic prairie, whereas overgrazing combined with drought drive shrub encroachment in arid grasslands. Lastly, tropical cloud forests are susceptible to climate-induced changes in cloud base altitude leading to shifts in species distributions. Overall, these examples reveal that state change is a likely outcome of global environmental change across adverse range of ecosystems and highlight the need for long-term studies to sort out the causes and consequences of state change. The diversity of sites within the LTER network facilitates the emergence of overarching concepts about state changes as an important driver of ecosystem structure, function, services, and futures.

54 ENVIRONMENTAL SCIENCES↗

Revisiting the Bonding Model for Gold(I) Species: The Importance of Pauli Repulsion Revealed in a Gold(I)‐Cyclobutadiene Complex

Abstract Understanding the bonding of gold(I) species has been central to the development of gold(I) catalysis. Herein, we present the synthesis and characterization of the first gold(I)‐cyclobutadiene complex, accompanied with bonding analysis by state‐of‐the‐art energy decomposition analysis methods. Analysis of possible coordination modes for the new species not only confirms established characteristics of gold(I) bonding, but also suggests that Pauli repulsion is a key yet hitherto overlooked element. Additionally, we obtain a new perspective on gold(I)‐bonding by comparison of the gold(I)‐cyclobutadiene to congeners stabilized by p‐, d‐, and f‐block metals. Consequently, we refine the gold(I) bonding model, with a delicate interplay of Pauli repulsion and charge transfer as the key driving force for various coordination motifs. Pauli repulsion is similarly determined as a significant interaction in Au I ‐alkyne species, corroborating this revised understanding of Au I bonding.

Wong, Zeng Rong↗

Revisiting the Bonding Model for Gold(I) Species: The Importance of Pauli Repulsion Revealed in a Gold(I)–Cyclobutadiene Complex

Understanding the bonding of gold(I) species has been central to the development of gold(I) catalysis. Herein, we present the synthesis and characterization of the first gold(I)-cyclobutadiene complex, accompanied with bonding analysis by state-of-the-art energy decomposition analysis methods. Analysis of possible coordination modes for the new species not only confirms established characteristics of gold(I) bonding, but also suggests that Pauli repulsion is a key yet hitherto overlooked element. Additionally, we obtain a new perspective on gold(I)-bonding by comparison of the gold(I)-cyclobutadiene to congeners stabilized by p-, d-, and f-block metals. Consequently, we refine the gold(I) bonding model, with a delicate interplay of Pauli repulsion and charge transfer as the key driving force for various coordination motifs. Finally, Pauli repulsion is similarly determined as a significant interaction in Au I -alkyne species, corroborating this revised understanding of Au I bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗

Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts

The predominant ionic chemistry and the similarity in ionic radius of actinides make it very difficult to structurally distinguish them in liquids. In this work, while ab initio molecular dynamics shows that the f-states clearly affects the electronic properties, their impact on structural properties is not obvious. For the series of trivalent actinides U 3+ , Pu 3+ , Cm 3+ , Cf 3+ , Fm 3+ in molten NaCl and FLiBe, actinide ligand bonds have a higher degree of covalency in NaCl (than in FLiBe), and a higher degree of ionicity in FLiBe. Furthermore, a machine learned classification model can distinguish atomic environments of chemically similar actinides, as long as atoms beyond the first solvation shells are considered. Our work shows that only two types of descriptors are necessary to account for all the fluctuations in heavy metal/molten salt mixtures: The first descriptor represents the electronic state of the heavy metal, while the second encompasses the local coordination environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

First-Principles Evaluation of Proton Hopping in Tetrahedral Oxide Motifs

Proton-conducting oxides (PCOs) are important materials used as ionic conductors for energy conversion technologies. Existing research efforts on PCO optimization and discovery generally focus on complex perovskite-based oxides that require doping and alloying to engineer oxygen deficiency and high proton conductivity. However, the variety of chemical compositions and coordination environments in oxides poses challenges for efficient materials design. In this computational study, we construct a database of simplified motifs to elucidate the relationship between fundamental materials chemistry and proton kinetics. Specifically, we focus on the zincblende crystal structure as a proxy for tetrahedral metal–oxide (M–O) coordination environments. We systematically quantified the effects of cation type, oxidation states, and M–O bond lengths on the proton hopping barrier, and found that strong M–O bonds and metal cations with large and variable oxidation states (e.g., Mo 6+ , V 5+ ) lead to smaller proton hopping barriers. By mapping the candidate cations and their preferred bond geometries onto materials databases such as the Inorganic Crystal Structure Database (ICSD) and Materials Project, we identified real materials containing the corresponding metal–oxide units. In general, we observed good agreement between the calculated proton hopping barriers obtained in real crystal structures and those predicted by our motif database. We also discuss the limitations of our model and possible future extensions to improve its predictive capabilities. Overall, our model provides a first step for the rational design and quick screening of energy-efficient PCOs.

organic↗

Evaluating cross-sectoral impacts of climate change and adaptations on the energy-water nexus: a framework and California case study

Abstract Electricity and water systems are inextricably linked through water demands for energy generation, and through energy demands for using, moving, and treating water and wastewater. Climate change may stress these interdependencies, together referred to as the energy-water nexus, by reducing water availability for hydropower generation and by increasing irrigation and electricity demand for groundwater pumping, among other feedbacks. Further, many climate adaptation measures to augment water supplies—such as water recycling and desalination—are energy-intensive. However, water and electricity system climate vulnerabilities and adaptations are often studied in isolation, without considering how multiple interactive risks may compound. This paper reviews the fragmented literature and develops a generalized framework for understanding these implications of climate change on the energy-water nexus. We apply this framework in a case study to quantify end-century direct climate impacts on California’s water and electricity resources and estimate the magnitude of the indirect cross-sectoral feedback of electricity demand from various water adaptation strategies. Our results show that increased space cooling demand and decreased hydropower generation are the most significant direct climate change impacts on California’s electricity sector by end-century. In California’s water sector, climate change impacts directly on surface water availability exceed demand changes, but have considerable uncertainty, both in direction and magnitude. Additionally, we find that the energy demands of water sector climate adaptations could significantly affect California’s future electricity system needs. If the worst-case water shortage occurs under climate change, water-conserving adaptation measures can provide large energy savings co-benefits, but other energy-intensive water adaptations may double the direct impacts of climate change on the state’s electricity resource requirement. These results highlight the value of coordinated adaptation planning between the energy and water sectors to achieve mutually beneficial solutions for climate resilience.

54 ENVIRONMENTAL SCIENCES↗

Microgrid-Integrated Solar-Storage Technology (MISST)

Microgrid-Integrated Solar-Storage Technology (MISST) project addresses availability and variability issues inherent in the solar photovoltaic (PV) technology by utilizing smart inverters for solar PV/battery storage and working synergistically with other components within a microgrid community. A key contribution of this project to the state-of-the-art is the practical implementation of seamless and coordinated control between the previously developed and DOE-funded Microgrid Master Controller (MMC) and the MISST controller, the latter is a dedicated solar-storage controller to manage high penetration of solar PV and energy storage systems.

14 SOLAR ENERGY↗

Wound-Field Synchronous Machine-System Integration toward 8X Power Density and Commercialization

In support of VTO's Electric Drive R&D activity, the Electric Drive Technologies (EDT) Consortium, a multi-disciplinary team of national labs and universities, coordinates and conducts a portfolio of research to advance the state-of-the-art in electric drive technologies. The Consortium established the following strategic goal listed below: (EDT Research Consortium Strategic Goal (compared to 2015 baseline)) A 125K electric traction drive system: (1) 8X power density improvement, or 1/10 the volume (33 kW/L), (2) 1/2 the cost ($\$$3.3/kW), (3) 2X useful life (300,000 miles), and (4) 100 kW/L inverter and a <20,000 rpm, 50kW/L electric motor The objective of this project is to design a Wound Field Synchronous Machine with 8X power density improvement and cost below $\$$3.3/kW.

42 ENGINEERING↗

Feedback on the Electric Emergency Incident and Disturbance Report, OE-417

The US Department of Energy (DOE) Office of Electricity (OE) mandates requirements for reporting electric emergencies and disruptions in the United States. Specific electric power industry organizations (such as balancing authorities, reliability coordinators, some generating entities, and electric utilities) report this information through the OE-417 Electric Emergency Incident and Disturbance Report via Form OE-417. Entities are required to submit Form OE-417 when at least one of the qualifying 26 criteria is met pursuant to Section 13(b) of the Federal Energy Administration Act of 1974 (Public Law 93-275). Entities are required to report, within 6 hours of the incident, loss of electric service to 50,000 customers or more for 1 hour or longer. The deadline for submitting Form OE-417 depends on the nature of the incident. An updated Form OE-417 Schedule 1 and all of Schedule 2 are both due within 72 hours of the incident to provide complete disruption information. Additionally, a Final Report must be filed within 72 hours of the incident, unless an interim update has been provided. If the incident meets specific criteria, the form must be filed within one hour, six hours, or by the later of 24 hours after the recognition of the incident or by the end of the next business day.1 The ability of DOE to respond quickly to energy emergencies that could affect the nation’s infrastructure and help alleviate or prevent further disruptions depends on the industry’s prompt and complete submission of information. This report summarizes current issues with Form OE-417 and the reporting process and presents recommendations for improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Measurements from mobile surface vehicles during the Lower Atmospheric Profiling Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE)

Abstract. Between 14 and 20 July 2018, small unmanned aircraft systems (UASs) were deployed to the San Luis Valley of Colorado (USA) alongside surface-based remote sensors, in situ sensors, and radiosonde systems as part of the Lower Atmospheric Profiling Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE). The measurements collected as part of LAPSE-RATE targeted quantities related to enhancing our understanding of boundary layer structure, cloud and aerosol properties and surface–atmosphere exchange and provide detailed information to support model evaluation and improvement work. Additionally, intensive intercomparison between the different unmanned aircraft platforms was completed. The current paper describes the observations obtained using three different types of surface-based mobile observing vehicles. These included the University of Colorado Mobile UAS Research Collaboratory (MURC), the National Oceanic and Atmospheric Administration National Severe Storms Laboratory Mobile Mesonet, and two University of Nebraska Combined Mesonet and Tracker (CoMeT) vehicles. Over the 1-week campaign, a total of 143 h of data were collected using this combination of vehicles. The data from these coordinated activities provide detailed perspectives on the spatial variability of atmospheric state parameters (air temperature, humidity, pressure, and wind) throughout the northern half of the San Luis Valley. These datasets have been checked for quality and published to the Zenodo data archive under a specific “community” setup for LAPSE-RATE (https://zenodo.org/communities/lapse-rate/, last access: 21 January 2021) and are accessible at no cost by all registered users. The primary dataset DOIs are https://doi.org/10.5281/zenodo.3814765 (CU MURC measurements; de Boer et al., 2020d), https://doi.org/10.5281/zenodo.3738175 (NSSL MM measurements; Waugh, 2020), and https://doi.org/10.5281/zenodo.3838724 (UNL CoMeT measurements; Houston and Erwin, 2020).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DC Fast Charging Infrastructure for Electrified Road Trips

To assess DC fast charging station network required for electrified road trips by 2030 in California, a new charging infrastructure simulation tool/model, EVI-Pro (Electric Vehicle Infrastructure Projection) RoadTrip, has been developed. In contrast to the existing EVI-Pro model that is primarily for short-distance travels, EVI-Pro RoadTrip is exclusively focused on road trips (long-distance travels, 100 or miles per day per vehicle). Also, the charging paradigm or strategy is different. EVI-Pro RoadTrip is built upon waypoint charging, in which vehicles are forced to stop to charge or replenish the on-board batteries, along the routes between origins and destinations. On the other hand, EVI-Pro is based on destination charging, in which charging is conducted when vehicles are parked in destinations (e.g., work, home). EVI-Pro RoadTrip takes coordinate-level origin and destination data for road trips (intra-state as well as domestic or international out-of-state) and estimates energy consumption and charging needs along the routes between origins and destinations on a minute-by-minute resolution. Based on charging demands for electrified road trips across the state, the optimal locations of charging stations are determined accounting for preferred land use types (e.g., commercial areas) and station service area (e.g., 5 or less miles). Based on station-by-station charging load profiles, the required number of plugs/connectors is estimated for each station and entire state. By comparing hosting capacity of the electric grid (circuit-level) and the charging load output from EVI-Pro RoadTrip, capacity deficit is also evaluated.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗