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At least 289 records · Page 16

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DOE OSTI2024

Precision Neutrino Oscillation Physics with the Daya Bay and DUNE Experiments

The team supported by this grant made significant contributions to the final results of the Daya Bay Reactor Antineutrino Experiment. This experiment utilized eight identically designed antineutrino detectors positioned at varying distances from six 2.9 GW th nuclear reactors to precisely measure the oscillation parameters that govern antineutrino disappearance at short (<2 km) baselines. Our group played a leading role in the calibration and data quality efforts, both of which have been crucial for all final results. Additionally, we co-led the development of an independent measurement of the neutrino mixing angle θ 13 and the atmospheric mass splitting using a sample of antineutrinos identified via neutron capture on hydrogen. Lastly, we laid the groundwork for a search for seasonal modulation in Daya Bay’s measured muon flux using the final dataset, a result expected to be published soon. Simultaneously, our team ramped up its participation in the Deep Underground Neutrino Experiment (DUNE). This experiment will employ a powerful neutrino beam from Fermilab in Illinois directed to the Homestake mine in South Dakota to address some of the most pressing questions in neutrino physics, including the ordering of neutrino masses and whether neutrinos violate the CP symmetry. Our work focused on the development of the pixelated and modularized Liquid Argon Time-Projection Chamber technology that is being prepared for DUNE’s Near Detector. Our group took responsibility for the development, testing, and maintenance of the firmware for the control boards of the detector’s charge readout system and played an active role in analyzing data produced by the very first fully integrated prototypes.

2x2 Demonstrator↗

DOE OSTI2023

Guanajuato Policy Options for Land Transportation Greenhouse Gas Reduction [Slides]

NREL consulted the Mexican state of Guanajuato to help them identify and prioritize policies that are specifically applicable to their land transportation system and help them meet their greenhouse gas (GHG) reduction goals. Three focus groups were held across Guanajuato to get the input from a wide variety of users of the transportation system. These focus groups performed a SWOT (strengths, weaknesses, opportunities and threats) analysis of Guanajuato's transportation system and logged the policy goals of participants. NREL then developed a menu of policy options that have been used successfully in relevant countries and prioritized these policies based on the weighted input from stakeholder groups. The most applicable policies were a paid parking strategy, regional transit master plan, and expanded bike and pedestrian infrastructure. Case studies of these three policies, plus a few more, were then presented to inform Guanajuato of how these policies could successfully be implemented. Finally, the GHG reductions for five of the most applicable policies were estimated to reduce emissions from Guanajuato's land transportation system nearly 40% below business-as-usual emissions by 2050.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization

This work aims to develop a framework for energy-efficient computing that will enable molecular dynamics (MD) simulations of large-scale phenomena with atomic precision and simultaneously remove computational bottlenecks limiting the speed of MD simulations. We seek to implement such an approach through the development of surrogate models for the interatomic force calculation combined with the use of mixed numerical precision formats. For a model system of neutral atoms (only pairwise interactions), significant force calculation efficiency improvements were achieved, without detrimental effects on atomic structures or average energies, using single precision, by developing a surrogate model (deep neural network), and by quantizing this surrogate model. For a model system of charged atoms, the reciprocal-space calculation of electrostatic interactions was identified as the main bottleneck, and the development of a surrogate model should be pursued to achieve an estimated one-order-of-magnitude additional speedup.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Energy 101 Transportation [Slides]

The Energy 101: Transportation presentation, developed for the Energy Technology Innovation Partnership Project (ETIPP), provides an overview of transportation. It covers fundamental concepts, technologies, considerations, case studies, and additional resources.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Studying MeV Scale Neutron Interactions in DUNE ND-LAr 2x2 Demonstrator

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment designed to make high-precision measurements of neutrino oscillation parameters and probe for new physics using a neutrino beam produced at Fermilab and measured at a near detector complex and a far detector located 1,300 km away at the Sanford Underground Research Facility. Precise neutrino energy reconstruction is essential for these measurements, with neutron production in neutrino–argon interactions representing a significant source of systematic uncertainty, as neutrons can carry away significant energy, making their detection and characterization crucial. DUNE’s near detector complex includes ND-LAr, a Liquid Argon Time Projection Chamber (LArTPC) detector designed to mirror the far detector technology and constrain neutrino–argon interaction systematics. The DUNE 2x2 Demonstrator, a pixelated LArTPC based on the ArgonCube design, serves as a prototype for ND-LAr. During 2x2 operations from October to November 2026, an Americium–Beryllium (AmBe) neutron source was deployed near the detector cryostat to obtain a high-statistics sample of neutron interactions. This poster presents progress in studying MeV-scale neutron interactions in this dataset by identifying de-excitation gammas from neutron capture on argon, providing a method for neutron identification and charge readout system calibration in future DUNE detectors.

Mao, Edgar [Syracuse U.] (ORCID:0009000600893306)↗

DOE OSTI2022

Three-phase differential mode converter

A system for charging a battery includes three sub-modules, each receiving a respective phase of a three-phase alternating current (AC) signal. The three sub-modules cooperate to transform the respective phases of the three-phase AC signal to a direct current (DC) signal by passing the respective phases of the three-phase AC signal through a respective semiconductor device configured to discontinuously modulate the respective phase of the three-phase AC signal to convert it to a DC signal provided to the battery to charge the battery.

Mazumder, Sudip K.↗

DOE OSTI2024

Three-phase differential mode converter

Mazumder, Sudip K.↗

DOE OSTI2021

Cooling charge determination for a local thermal management system

A system and method for estimating the state of charge, i.e., the amount of cooling remaining, in a latent heat thermal storage module of a local environmental control system. The local environmental control system stores cooling energy at night by freezing a latent heat phase change material (PCM), and then releasing the stored cooling energy by removing heat from room air flowing through the PCM during the day. Differential temperature sensors are used measure the air temperature drop across the latent thermals storage unit and the fan voltage, which is directly related to fan air flow rate, is sampled. A controller is programmed to determine the charging state from these measurements.

Khalifa, H. Ezzat↗

DOE OSTI2025

Seasonal Reconfiguration of Electrical Distribution Systems to Mitigate the Impact of Electric Vehicle Charging

Power grids face challenges in their infrastructure related to the integration of electric vehicles (EV). In particular, EV charging stations may induce instability in key system parameters such as substantial voltage drops, active power losses, and transformer overload due to high demand during charging periods. This article presents a seasonal reconfiguration strategy based on the differential evolution (DE) algorithm, aimed at enhancing system performance under highly variable and stochastic load profiles, particularly those driven by EV charging. The DEA algorithm is hybridized with the find-union (FU) algorithm to efficiently ensure network radiality throughout the optimization process. The proposed methodology is validated on a hybrid distribution system composed of the IEEE 33-bus network, a modified IEEE 13-bus system, and a specific 13-bus microgrid. Results have demonstrated that seasonal reconfiguration significantly reduces active power losses and mitigates transformer loading during critical demand hours, thereby quantifiably increasing the system’s performance. As an integral component of the proposed approach, an analysis of CO2 emissions associated with energy losses is included, allowing a contextualized assessment of the environmental benefits of seasonal reconfiguration in various geographical areas.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Modeling plasma-induced surface charge effects on CO 2 activation by single atom catalysts supported on reducible and irreducible metal oxides

Abstract The accumulation of negative surface charge on catalytic surfaces in the presence of low-temperature plasma (LTP) could influence catalytic performance. However, it is difficult to disentangle the role of surface charging and other LTP catalytic effects in experiment. Herein, we use density functional theory (DFT) modeling to understand the effect of plasma-induced surface charging on CO 2 activation by atomically dispersed single atom (SA) catalysts on both reducible and irreducible metal oxide supports. We model CO 2 adsorption strength and CO 2 dissociation barriers for Co 1 , Ni 1 , Cu 1 , Rh 1 , Pd 1 , and Ag 1 SAs on both reducible and irreducible supports, namely, CeO 2 (100), TiO 2 (101), and γ -Al 2 O 3 (110), to elucidate trends. We find that accumulated surface charge on the SA increases the CO 2 adsorption strength and decreases the CO 2 dissociation barrier for all studied SA/support combinations. For both charged and uncharged (neutral) systems, SAs on the reducible CeO 2 (100) support generally adsorb CO 2 more weakly compared to when on irreducible supports like γ -Al 2 O 3 (110). SAs on γ -Al 2 O 3 (110) typically have larger barriers for CO 2 dissociation for both charged and uncharged systems compared to TiO 2 (101) and CeO 2 (100). The magnitude of surface charging effects on CO 2 binding energies and dissociation barriers depends sensitively on both the SA and the support. In some cases, the CO 2 activation trends qualitatively change between neutral and charged systems for a fixed SA across different supports. This DFT modeling study demonstrates that surface charging should be considered in strong electric fields because it can have a large effect on molecule adsorption and bond-breaking on catalytic surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Dielectric screening and vacancy formation for large neutral and charged Si n H m ( n > 1500 ) nanocrystals using real-space pseudopotentials

A commonly used procedure for computing the properties of defects in crystalline materials is to consider a large supercell that includes the defect of interest. This is a straightforward technique as standard energy band codes can be used for such computations. For neutral defects, the only impediment of such an approach is to avoid defect-defect interactions between adjoining cells. However, this procedure can be complex if the defect of interest is charged as the system at large contains Coulombic divergences. Moreover, some have recently argued that the conventional definition of formation energies for charged defects cannot be reconciled with statistical mechanics. Here, we focus on an alternative approach. We consider large nanocrystals wherein a charged defect can be placed. Since the system is confined, a charged defect within the nanocrystal does not result in a Coulombic divergence. The chief impediment is computational, i.e., while no defect-defect or Coulombic divergences are present, the nanocrystal must be sufficiently large to allow the system to properly replicate a bulklike configuration. With the development of new algorithms and hardware advances, computations for systems of sufficient size to address this issue are feasible. In particular, we solve the Kohn-Sham equation in real space using pseudopotential-density-functional theory for large silicon nanocrystals, which contain thousands of atoms. Further, we focus on (i) the screening of a point charge and (ii) the formation of a charged vacancy in hydrogen-terminated silicon nanocrystals. This approach allows us to examine the role of quantum confinement in addition to exploring the bulk limit. Comparisons to other methods confirm the viability of this approach.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Control of light, spin and charge with chiral metal halide semiconductors

We report the relationship between the structural asymmetry and optoelectronic properties of functional materials is an active area of research. The movement of charges through an oriented chiral medium depends on the spin configuration of the charges, and such systems can be used to control spin populations without magnetic components - termed the chiral-induced spin selectivity (CISS) effect. CISS has mainly been studied in chiral organic molecules and their assemblies. Semiconductors are non-magnetic extended systems that allow for the control of charge transport, as well as the absorption and emission of light. Therefore, introducing chirality into semiconductors would enable control over charge, spin and light without magnetic components. Chiral metal halide semiconductors (MHSs) are hybrid organic-inorganic materials that combine the properties of small chiral organic molecules with those of extended inorganic semiconductors. Reports of CISS in chiral MHSs have resulted in breakthroughs in our understanding of CISS and in the realization of spin-dependent optoelectronic properties. This Review examines the fundamentals and applications of CISS in chiral MHSs. The structural diversity and key structure-property relationships, such as chiral transfer from the organic to the inorganic components, are summarized. With a focus on the underlying chemistry and physics, the control of spin, light and charge in these semiconductors is explored.

14 SOLAR ENERGY↗

DOE OSTI2025

Ferroaxial density wave from intertwined charge and orbital order in rare-earth tritellurides

The discovery of the axial amplitude mode—commonly referred to as the Higgs mode—in charge density wave systems, such as rare-earth tritellurides, indicates the presence of a hidden order. A theoretical study proposed that this axial Higgs mode arises from a hidden orbital texture of the charge density wave, which produces a ferroaxial charge order. However, experimental evidence for the specific hidden order has been lacking. Here, we demonstrate a ferroaxial order of electronic origin throughout the rare-earth tritellurides. In ErTe 3 and HoTe 3 , which exhibit two distinct charge density waves with different ordering temperatures, a detailed investigation shows that the high-temperature charge order phase breaks translational, rotational and all vertical as well as diagonal mirror symmetries. Furthermore, this phase produces an axial Higgs mode and an axial electronic gap. By contrast, the low-temperature phase breaks only translational symmetry and gives rise to a scalar Higgs mode. Notably, both phases preserve the space inversion and time-reversal symmetries. These findings are consistent with a ferroaxial phase driven by coupled orbital and charge orders, highlighting the role of Higgs modes in revealing hidden orders in systems with intertwined charge density waves.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Optimized System for On-Route Fast Charging of Battery-Electric Shuttle Buses

Electrifying cars, buses, and trucks is an attractive means of reducing energy use and emissions because it involves more efficient drivetrain components and minimal restructuring of the transportation network. Transit buses, driving fixed routes, help minimize driver range anxiety by properly sizing energy storage systems. A major challenge to fully electrifying transit buses is providing the amount of energy they consume in a day of driving. To enable a full day of operation without charging, batteries need to be large, which could be expensive and heavy. This work utilizes real-world transit bus data used in a battery-electric drivetrain model to co-optimize charger locations, charger power levels, and vehicle battery sizes.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Flow battery cleansing cycle to maintain electrolyte health and system performance

A method of cleansing a redox flow battery system may include operating the redox flow battery system in a charge, discharge, or idle mode, and responsive to a redox flow battery capacity being less than a threshold battery capacity, mixing the positive electrolyte with the negative electrolyte. In this way, battery capacity degradation following cyclic charging and discharging of the redox flow battery system can be substantially reduced.

Song, Yang↗

DOE OSTI2023

Methods for Mapping of Surface Charge Density on Arbitrary Dielectric Objects

A system to map surface charge densities on dielectric objects – e.g. PTFE, PMMA, and PA6 – is described to study maximum surface charge limits discharge and decay characteristics. Two electromechanical movements are used to achieve these goals: a three-axis robotic arm with an electrostatic probe and a three-axis auxiliary movement fitted with a current viewing resistor and laser displacement sensor. Dielectric objects no larger than a cylinder of eight-inch diameter and twelve inches in height are analyzed to create surface point clouds and generate a set of scan points. The arbitrary object is positioned upon a rotational axis with a laser displacement sensor oriented radially towards the rotational axis of the platform to determine the object’s physical limits.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Progress in development of pulsed resonant charging power supply for the Spallation Neutron Source extraction kicker PFN system

A conceptual design of the pulsed resonant charging power supply (RCPS) for the beam extraction system of the Spallation Neutron Source (SNS) at the Oak Ridge National Laboratory (ORNL) was previously reported at the 2019 IEEE Pulsed Power & Plasma Science Conference (PPPS 2019) [1]. Development and testing of the prototype supply continued through the year to finalize the design ahead of the Proton Power Upgrade (PPU). Testing revealed reliability issues with the original resonant charging scheme related to the step-up transformer core. Additional components were incorporated into the system, and some of the original prototype components were replaced to improve performance and reliability of the power supply. This paper describes the changes in the resonant charging scheme, presents the results of testing of the improved prototype at full power level, and shows the final design of the RCPS.

Peplov, Vladimir↗

DOE OSTI2025

Enabling hydrogen chemisorption on charged graphene

Two-dimensional (2D) materials, including graphitic derivatives, have long been of interest for hydrogen storage applications, due to their high theoretical storage capacity, low weight, and other useful properties. However, poor kinetics for hydrogen adsorption and surface diffusion as part of the proposed spillover process for hydrogenation have limited their technological potential. Here, we use first-principles calculations to study electronic doping as a means to improve hydrogen chemisorption on graphene, which we use here as a proxy for graphitic derivatives more broadly. We find that positively charged graphene sheets have vastly improved kinetics for hydrogen diffusion and adsorption, while they limit unwanted hydrogen desorption. This combination of effects should favor hydrogen chemisorption via spillover. We connect these trends to the C–H bond, which introduces states near the Fermi level. These states are depopulated as electrons are removed, thereby lowering the bond energy and permitting more facile movement of hydrogen. Our results suggest that spillover mechanisms for hydrogen chemisorption should be revisited if strategies to apply a large charge to graphitic systems can be realized. Moreover, switchable application of the charge may lead to the reversible chemisorption of hydrogen. While the large magnitude of charging required suggests that graphene itself may not be suitable for reversible hydrogen chemisorption, the factors we identify and discuss could significantly boost the prospects of graphitic derivatives and other 2D or layered materials for hydrogen storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗