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DOE OSTI2023

Evaluation of riparian enhancement actions in the Columbia River Basin

Riparian enhancement is a common restoration technique in the Columbia River Basin (CRB) and the Pacific Northwest. However, relatively few studies have evaluated its success and even fewer studies include long-term monitoring. Forty-one riparian planting projects located in the CRB, each with a paired treatment and control reach, were evaluated in the summer of 2018 and 2019 using an extensive post-treatment (EPT) design. At each reach, we quantified woody plant abundance, richness, diversity, and vegetation and canopy cover as riparian response variables, and measured terrace height and documented individuals with bud browse, deceased, and with predator protection as potential explanatory variables. Species richness, woody plant abundance (all height classes combined and within shrub height class), and the proportion of woody plants with bud browse or deceased were all higher in treatment than control reaches. However, no significant improvements were observed for any other riparian response or explanatory variables. Implementation techniques, including invasive species removal efforts, follow-up planting, watering, and the type of restoration project (floodplain restoration and planting, in-stream restoration and planting, or solely planting) were also considered as potential explanatory variables and were found to have significant impacts on restoration response for abundance and cover variables. Further, our results suggest that planting implementation methods, site level physical factors, and time since planting all influence the success of riparian planting projects and if not addressed in restoration design and implementation can contribute to a lack of detectable response.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Design of Zone-Based Hierarchical Protection System for 100% Renewable Microgrids

Design of a reliable and secure protection system for a 100% renewable microgrid with only inverter-based resources (IBRs), is quite challenging. Most of the existing protection schemes in the state-of-the-art are suitable for microgrids with mixed-type of distributed energy resources (DERs) that covers both rotating machine-based DERs as well as IBR-based DERs, where the fault current level is moderately high. Due to drastic reduction in fault current level based on mode of operation and the variation of the low fault current level based on the operating level of the IBRs, the existing protection schemes face critical challenges, in case of a 100% renewable microgrid. This article proposes a zone-based hierarchical protection scheme that partitions a microgrid into various zones-of-protection and assigns speed-based hierarchical protection schemes in order to address the fundamental challenges of such microgrids. The performance of the proposed scheme is evaluated using time-domain simulation study on a microgrid test system. The results corroborates that the proposed hierarchical zone-based protection scheme exhibits enhanced reliability, security and dependability while tested with various fault cases (fault types, locations, and impedances), and non-fault cases during both grid-tied and islanded mode.

grid-forming inverter↗

DOE OSTI2024

Design of Zone-Based Hierarchical Protection System for 100% Renewable Microgrids: Preprint

grid-forming inverter↗

DOE OSTI2022

Revealing the relationship between molecular weight of lignin and its color, UV-protecting property

Lignin has great potential as a natural, green, and sustainable broad-spectrum sunscreen active ingredient. However, the coexistence of dark color and sunscreen properties hinders its application in cosmetics. In this study, we focus on the effects of the molecular weight of lignin on tis UV-protecting property and color in order to prepare lignin-based sunscreen with high performance. We report a prepared sunscreen containing low molecular weight lignin (F5, <1000 g/mol) exhibits good UV-protecting property (sun protection factor (SPF) = 7.14) and light color advantages (ΔE = 46.2). Moreover, a strong synergistic effect on UV-protecting property exists between low molecular weight lignin and ethylhexyl methoxycinnamate (EHMC), resulting in high SPF of F5@EHMC-based sunscreen (55.56). Additionally, added TiO 2 can efficiently mitigate the dark color of lignin-based sunscreens due to prominent covering power of TiO 2 . Moreover, lignin-based sunscreens have good biocompatibility with HaCaT cells. This work is useful for understanding the mechanism of the UV-protecting property and dark color of lignin, and for designing an efficient and safe lignin-based sunscreen.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Current Status of the High Field Cable Test Facility at Fermilab

Fermi National Accelerator Laboratory (FNAL) and Lawrence Berkeley National Laboratory (LBNL) are collaborating to construct a new High Field Vertical Magnet Test Facility (HFVMTF) designed for testing superconducting cables in high magnetic fields. This state-of-the-art facility will be situated at Fermilab and will provide capabilities comparable to EDIPO at PSI and FRESCA2 at CERN. The HFVMTF’s background magnetic field, reaching 15 T, will be generated by a magnet supplied by LBNL. The HFVMTF is a collaborative effort supported by the US DOE Offices of Science, High Energy Physics, and Fusion Energy Sciences. It will serve as a vital testbed for superconducting HTS cables, subjecting them to high magnetic fields and a wide range of temperatures, benefiting both scientific communities. Additionally, this facility will play a key role in testing high-field superconducting magnet models and demonstrators, including hybrid magnets, developed by the US Magnet Development Pro gram (MDP). These hybrid magnets, utilizing both LTS and HTS superconductors, are significant advancements toward achieving 18+ T dipoles for future hadron-hadron colliders. The presentation outlines the current status of the facility, covering aspects such as construction progress, cryostat designs, top and lambda plates, and systems for powering, quench protection, and monitoring.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Model Validation and Uncertainty Quantification on the KRUSTY Microreactor Design Using GRIFFIN Neutron Transport Code [Poster]

Argonne National Laboratory (ANL) and INL have developed a GRIFFIN steady state neutronics model for the multiphysics simulations of the Kilopower Reactor Using Sterling TechnologY (KRUSTY) microreactor in the Multiphysics Object Oriented Simulation Environment (MOOSE). The reliability of such deterministic neutronics models can be validated by comparing with computations from Monte Carlo codes (e.g. MCNP, SERPENT, OpenMC, Shift, etc). Furthermore, potential modeling/design improvements can be identified by incorporating uncertainty quantification (UQ), which can be performed by MOOSE’s Stochastic Tools Module (STM). KRUSTY is a prototype for a 5-kW thermal nuclear-powered space reactor. Its primary components consist of nuclear fuel, heat pipes, a control rod, a reflector, and the shielding. The fuel consists of 3 stacked U-7.65Mo cylinders with a hole in the center for the control rod. 8 liquid sodium heat pipes transfer fission energy from the solid fuel block to the Sterling power conversion system where the energy is extracted, and the cooled sodium flows back to the core via capillary action . The movable Boron Carbide control rod regulates the neutron population during startup or when a reactor temperature boost is needed . The beryllium oxide reflector is in 3 places in the reactor; it surrounds the core axially, it lies beneath the core on a platen, and it is present in the shim. The axial and lower reflectors rest on an adjustable stainless-steel platen that moves upward to cover the fuel and help the reactor reach criticality. Lastly, radial stainless steel surrounds the core offering protection from radiation exposure .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Uranium Mill Tailings Radiation Control Act Title II DOE Due Diligence and Lessons Learned from a Previous Site Transfer - 20352

Title II of the Uranium Mill Tailings Radiation Control Act (UMTRCA) established that a government agency will provide perpetual care for closed uranium and thorium ore-processing sites that were operating under an NRC source material license in 1978 or were licensed thereafter. Commercial owners (licensees) operating under an NRC or agreement state specific license when UMTRCA was passed are responsible for conducting reclamation of any byproduct material remaining from uranium-ore processing operations in accordance with an NRC or agreement state approved reclamation plan. Reclamation includes both surface and groundwater remedies. Upon completion of reclamation and approval by NRC, the site is required to be transferred to either the host state or the DOE for long-term surveillance and maintenance. Since UMTRCA's enactment, six Title II sites have been transferred to DOE; an additional 24 Title II sites are anticipated to be transferred before 2050. DoE's role mandated under UMTRCA Title II as the long-term care custodian is to perform 'monitoring, maintenance, and emergency measures necessary to protect the public health and safety.' UMTRCA requires that the licensee pay a long-term surveillance charge 'sufficient to cover the annual costs of site surveillance.' However, at some sites such as the Bluewater, New Mexico, Disposal Site, this mandate has required additional effort and expense by DOE, beyond the originally anticipated and intended scope within UMTRCA, but within the authority of DOE under UMTRCA. In 1997, the Bluewater site became the second UMTRCA Title II site to be transferred to DOE. The site was the location of a uranium mill operated from 1953 until 1982. The specific licensee began site reclamation in 1991, and by 1995 all tailings and contaminated materials were encapsulated in two tailings disposal cells and other disposal areas. In addition to surface contamination, milling activities impacted groundwater in the two upper aquifers. In 1989, the specific licensee attempted active groundwater remediation; however, no significant reduction in contaminant concentrations was observed. As a result, the specific licensee applied to NRC for alternate concentration limits (ACLs) in 1990, which were approved in 1996 as being protective, after additional corrective actions were performed. Since transfer of the Bluewater site to DOE, unforeseen challenges have occurred, requiring additional actions. The first challenge is the occurrence of surface depressions located on the northern section of the main tailings disposal cell. The depressions were first observed during DoE's initial inspection in 1998; however, evidence of these can be observed on satellite images taken prior to transfer. Since being first observed, the depressions have continued to grow both in depth and areal extent. Due to the design of the main tailings disposal cell, the depressions impede storm water from being effectively shed off the 101- hectare (250-acre) top slope of the main tailings disposal cell. Instead, storm water accumulates in the depressions, forming a large ephemeral pond that has stored up to 16.3 x 10{sup 6} liters (4.3 million gallons) of stormwater. The ponding poses a potential risk to the integrity of the main tailings disposal cell in the case of a large storm event, with the potential to cause the pond to overtop and erode the cover material and underlying waste. DOE has taken a number of short-term actions to monitor, measure, and reduce the ponding and is currently working with the US Army Corps of Engineers to design and construct a repair. Additional challenges are associated with groundwater at the Bluewater site. Nine wells were present on the 1335-hectare (3300-acre) site upon transfer. Groundwater compliance was called into question after the State of New Mexico reduced its uranium groundwater standard from 5.0 to 0.03 milligrams per liter in 2004, and when an ACL for uranium was exceeded in a site monitoring well in 2010. Acquiring historical groundwater data and subsequent evaluations as well as additional DOE groundwater monitoring led to installing 10 new monitoring wells and performing additional site hydrogeology recharacterization. DOE continues to evaluate groundwater conditions at the site and works with the NRC to determine regulatory requirements and a path forward. As a result of lessons learned at the Bluewater site and other Title II sites, improved processes have been implemented at a programmatic level to increase due diligence before site transfer and prevent similar issues from occurring at other UMTRCA Title II sites under long-term management. DoE's due diligence process is documented in the Process for Transition of UMTRCA Title II Disposal Sites to DOE for Long-Term Surveillance and Maintenance and is designed to ensure that DOE has no technical or compliance concerns with regulatory decisions that might compromise protectiveness following site transfer to DOE. Implementation of the due diligence process has increased DoE's role prior to site transfer and has been effective in identifying potential issues. Actions by NRC and specific licensees, in response to enhanced due diligence efforts by DOE, are expected to minimize, if not totally prevent, the need for unanticipated actions by DOE pertaining to the surface and groundwater remedies after site transfer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Platinum/Tantalum Carbide Core–Shell Nanoparticles with Sub‐Monolayer Shells for Methanol and Oxygen Electrocatalysis

Abstract Core–shell architectures provide great opportunities to improve catalytic activity, but achieving nanoparticle stability under electrochemical cycling remains challenging. Herein, core–shell nanoparticles comprising atomically thin Pt shells over earth‐abundant TaC cores are synthesized and used as highly durable electrocatalysts for the methanol oxidation reaction (MOR) and the oxygen reduction reaction (ORR) needed to drive direct methanol fuel cells (DMFCs). Characterization data show that a thin oxidic passivation layer protects the TaC core from undergoing dissolution in the fuel cell‐relevant potential range, enabling the use of partially covered Pt/TaC core–shell nanoparticles for MOR and ORR with high stability and enhanced catalytic performance. Specifically, at the anode the surface‐oxidized TaC further enhances MOR activity compared to conventional Pt nanoparticles. At the cathode, the Pt/TaC catalyst feature increases tolerance to methanol crossover. These results show unique synergistic advantages of the core–shell particles and open opportunities to tailor catalytic properties for electrocatalytic reactions.

Chemistry↗

DOE OSTI2023

Synthesis of hyperbranched polymer films via electrodeposition and oxygen-tolerant surface-initiated photoinduced polymerization

Hypothesis Hyperbranched polymers, not only possess higher functionality, but are also easier to prepare compared to dendrimers and dendric polymers. Combining electrodeposition and surface-initiated photoinduced electron transfer-reversible addition-fragmentation chain transfer (SI-PET-RAFT) polymerization is hypothesized to be a novel strategy for preparing hyperbranched polymer films on conductive surfaces without degassing. Experiments In this study, polymer brush grafted films with four different architectures (i.e. linear, branched, linear- block -branched, and branched- block -linear) were prepared on gold-coated glass substrates using electrodeposition, followed by SI-PET-RAFT polymerization. The resulting film structure and thickness, surface topology, absorption property, and electrochemical behavior were confirmed by spectroscopy, microscopy, microbalance technique, and impedance measurement. Findings These hyperbranched polymer brushes were capable of forming a thicker but more uniformly covered films compared to linear polymer brush films, demonstrating that hyperbranched polymer films can be potentially useful for fabricating protective polymer coatings on various conductive surfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Distribution System Behind-the-Meter DERs: Estimation, Uncertainty Quantification, and Control

This paper summarizes the three-year technical activities of the IEEE Task Force (TF) on behind-the-meter (BTM) distributed energy resources (DERs): estimation, uncertainty quantification, and control. The potential grid services from BTM DERs are discussed in detail. The paper also reviews the state-of-the-art for BTM DERs visibility, uncertainty quantification, and, optimization and control. Furthermore, different aspects of the market structures associated with BTM DERs are covered, including emerging market and business models. Finally, needs and recommendations are provided for additional areas such as system protection, computing capabilities, algorithm development, market structure design, cyberinfrastructure and security, and hardware and software developments.

behind-the-meter↗

DOE OSTI2020

Fissionable Materials Handlers Operators-Initial Training

These courses were designed for all Initial Fissionable Material Handlers Operators and Supervisors whose job activities will require the performance of Fissile Material Operations located within the Plutonium Facility (PF-4). The course requirements are based on DOE order 426.2, Personnel Section, Qualification, and Training Requirements for Fissionable Material Handlers. These courses are required training for all initial Fissionable Material Handlers and is specific to TA-55 FMH Certification. It covers the core areas and topics in Criticality Safety, Material-at-Risk, Nuclear Material Control and Accountability, Radiological Protection, TA-55 Material Handling and Movement.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2026

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↗

DOE OSTI2022

Feasibility of critical infrastructure protection using network functions for programmable and decoupled ICS policy enforcement over WAN

Industrial control systems (ICS) represent a major component of our critical infrastructure. With the increasing need for more control and monitoring of such systems, ICS have seen an increase in connectivity to wide area networks (WAN) exposing aging equipment to rapidly evolving cybersecurity threats. Furthermore, the ICS data requires a reliability measure from the networks for critical functions for infrastructure monitoring and control. Especially when remote plant sites are involved such as pipelines, energy distribution networks, and transportation, WAN transport impairments most often provide a best effort delivery with no strict reliability guarantees. Network functions can provide a vendor agnostic, programmable critical infrastructure protection with a single maintenance, policy determination, and reliability assurance surface. A network function (NF) can be utilized for policy enforcement over the communication between remote entities and the main control office. This paper presents the research on transparent integration with existing ICS without disrupting communications, resulting in minimal downtime while decoupling the fast paced evolution of defensive security measures from the upgrade cycle of expensive long term hardware. We report our measurements on the resource requirements and overhead in the network for successful NF insertion under a wide variety of network impairments (network packet delay, reordering, and loss). Our paired NF implementation provides a policy enforcement platform extensible to cover myriad cybersecurity-related communication goals, including packet signing for verification, encryption for data privacy, packet filtering and data diode operation (i.e. protecting against eavesdropping, packet injection, and denial-of-service). Furthermore, bundling communication specifications into packet flows allows for tunability in applying policies as coarse- or fine-grained as the needs of the operator. We report on network function resource requirements in the form of required queue depth and network utilization overhead to inform the decision making against hardware cost constraints.

42 ENGINEERING↗

DOE OSTI2020

Results of a Soil Flushing Treatability Test for Hanford Site Hexavalent Chromium Removal - 20446

U.S. Department of Energy contractor CH2M Hill Plateau Remediation Company has made significant progress remediating hexavalent chromium in groundwater near the Columbia River through the operation of pump and treat facilities and source removal activities. To mitigate risks associated with hexavalent chromium contamination, which was identified in a CERCLA interim action record of decision as the primary groundwater contaminant of concern for the 100-KR-4 Operable Unit from discharging to the Columbia River, three ion-exchange pump and treat systems were installed between 1997 and 2009. Between 2010 and 2016, operation of the K West pump and treat system, located near the former 105K West plutonium production reactor, reduced concentrations below the groundwater remediation target for hexavalent chromium. In 2016, a rebound study was performed to evaluate the effectiveness of the pump and treat remedy and assess the potential for any residual hexavalent chromium sources continuing to contribute to groundwater contamination. As a result of the rebound study, a source of continued groundwater contamination was identified. To address this condition, a soil flushing treatability test was written and approved by the U.S. Department of Energy and the U.S. Environmental Protection Agency. The test included saturating about a 1-acre area of soil with treated water with the goal of forcing the residual hexavalent chromium to groundwater where existing extraction wells could remove it for treatment, accelerating the cleanup process. In spring and summer 2019, CH2M Hill Plateau Remediation Company installed and began operating a shallow underground leach system to support the treatability test. Preliminary sampling data show the test was effective in removing the residual contamination. Following further evaluation and analysis from the initial test, the process will be considered for implementation elsewhere on the Hanford Site, particularly at locations where there is a known or suspected continuing contamination source in the soil column. The paper will cover the goals of the study, as well as more details about the following: - Overview of pump and treat exit strategy (using U.S. Environmental Protection Agency guidance); - The design and installation of the soil flushing technology in the 100-K Area; - The testing process and results of sampling data; - Post-study evaluation and potential for implementation in other locations at the Hanford Site. Innovative solutions for cleanup, such as the soil flushing technology, have resulted in substantial progress in the removal of groundwater contaminants at the Hanford Site, potentially shortening the time frame required to meet cleanup goals and resulting in significant cost savings. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Equipment Testing Environment (ETE) Process Specification

This document is intended to be utilized with the Equipment Test Environment being developed to provide a standard process by which the ETE can be validated. The ETE is developed with the intent of establishing cyber intrusion, data collection and through automation provide objective goals that provide repeatability. This testing process is being developed to interface with the Technical Area V physical protection system. The document will overview the testing structure, interfaces, device and network logging and data capture. Additionally, it will cover the testing procedure, criteria and constraints necessary to properly capture data and logs and record them for experimental data capture and analysis.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

2026 Annual Molten Salt Reactor Campaign Review

This report documents the 2026 Annual Molten Salt Reactor (MSR) Campaign Review held in Albuquerque, New Mexico, from April 21–24, 2026. The review was organized by Dr. Patricia Paviet, National Technical Director of the Advanced Reactor Technology (ART) MSR program for the U.S. Department of Energy Office of Nuclear Energy (DOE-NE), and included participation from principal investigators, federal managers, developers, regulators, and members of the broader MSR community. The 2026 review expanded beyond the ART-MSR campaign to include related DOE-NE programs supporting molten salt reactor advancement, including the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the Advanced Materials and Manufacturing Technologies (AMMT) program, Advanced Reactor Safeguards and Security (ARSS), Material Protection, Accounting and Control Technologies (MPACT), and relevant advanced fuels activities. Three days were dedicated to technical presentations and panel discussions covering thermal properties, off-gas management, modeling and simulation, safety and licensing, safeguards and security, materials and corrosion, and irradiation activities. A fourth day was dedicated to technical tours of Sandia National Laboratories and Kairos Power facilities. Attendance was strong and comparable to the prior annual review, with approximately 75 in-person participants per day, 75–80 virtual attendees per day, and approximately 30 participants in the tour day. The review fostered significant technical exchange across national laboratories, universities, industry, regulators, and international participants. This report summarizes the review structure, technical themes, participation, tours, feedback, and conclusions relevant to future planning for the MSR campaign.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

The ab initio non-crystalline structure database: empowering machine learning to decode diffusivity

Non-crystalline materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven exploration and design of non-crystalline materials is hampered by the absence of a comprehensive database covering a broad chemical space. In this work, we present the largest computed non-crystalline structure database to date, generated from systematic and accurate ab initio molecular dynamics (AIMD) calculations. We also show how the database can be used in simple machine-learning models to connect properties to composition and structure, here specifically targeting ionic conductivity. These models predict the Li-ion diffusivity with speed and accuracy, offering a cost-effective alternative to expensive density functional theory (DFT) calculations. Furthermore, the process of computational quenching non-crystalline structures provides a unique sampling of out-of-equilibrium structures, energies, and force landscape, and we anticipate that the corresponding trajectories will inform future work in universal machine learning potentials, impacting design beyond that of non-crystalline materials. In addition, combining diffusion trajectories from our dataset with models that predict liquidus viscosity and melting temperature could be utilized to develop models for predicting glass-forming ability.

36 MATERIALS SCIENCE↗

DOE OSTI2024

The ab initio amorphous materials database: Empowering machine learning to decode diffusivity

Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven ex- ploration and design of amorphous materials is hampered by the absence of a com- prehensive database covering a broad chemical space. In this work, we present the largest computed amorphous materials database to date, generated from sys- tematic and accurate ab initio molecular dynamics (AIMD) calculations. We also show how the database can be used in simple machine-learning models to connect properties to composition and structure, here specifically targeting ionic conductiv- ity. These models predict the Li-ion diffusivity with speed and accuracy, offering a cost-effective alternative to expensive density functional theory (DFT) calculations. Furthermore, the process of computational quenching amorphous materials provides a unique sampling of out-of-equilibrium structures, energies, and force landscape, and we anticipate that the corresponding trajectories will inform future work in uni- versal machine learning potentials, impacting design beyond that of non-crystalline materials.

36 MATERIALS SCIENCE↗