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DOE OSTI2023

Capturing membrane structure and function in lattice Boltzmann models

Here, we develop a mesoscopic approach to model the nonequilibrium behavior of membranes at the cellular scale. Relying on lattice Boltzmann methods, we develop a solution procedure to recover the Nernst-Planck equations and Gauss's law. A general closure rule is developed to describe mass transport across the membrane, which is able to account for protein-mediated diffusion based on a coarse-grained representation. We demonstrate that our model is able to recover the Goldman equation from first principles and show that hyperpolarization occurs when membrane charging dynamics are controlled by multiple relaxation timescales. The approach provides a promising way to characterize non-equilibrium behaviors that arise due to the role of membranes in mediating transport based on realistic three-dimensional cell geometries.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Interface roughness governed negative magnetoresistances in two-dimensional electron gases in AlGaN/GaN heterostructures

Negative magnetoresistances (NMRs) have been widely observed in two-dimensional electron gases (2DEGs). However, their origins are under debate. Here, we report on NMRs in the 2DEG in AlGaN/GaN heterostructures, aiming to uncover their origins by utilizing electric field gating. We systematically measured the magnetoresistances in magnetic fields up to 12 T and at temperatures between 3 and 260 K and observed NMRs over a wide range of temperatures from 3 to 170 K, which become more pronounced with decreasing temperature. We conducted electric field gating experiments to correlate the occurrence of NMRs with the relationship between electron mobility and density. The latter is governed by defect scattering sources in the sample and can be theoretically modeled. Comparison of the measured electron mobility and electron density relationship with theory reveals that interface roughness scattering plays a crucial role in obtaining large NMRs. Our work demonstrates that electric field gating provides a means not only to tune the values of NMRs but also to uncover their mechanisms.

2-dimensional systems↗

DOE OSTI2023

Intrinsic thermal conductivity of ZrC from low to ultrahigh temperatures: A critical revisit

Current phonon transport theory based on ground-state calculations has been successful in predicting thermal conductivity at room and medium temperatures but may misrepresent behavior at high temperatures. Here, in this work, we predict the thermal conductivity (κ) of ZrC including electronic and phonon contributions from 300 to 3500 K, by including high-order phonon scattering; lattice expansion; temperature-dependent (TD) second-, third-, and fourth-order force constants (2FC, 3FC, and 4FC); and interband phonon conduction by using first principles. For the phonon transport, we find that four-phonon scattering (4ph) significantly reduces the phonon thermal conductivity (κ ph ), by as much as ~75% at 3500 K. After including 4ph scattering and all other factors, κ ph shows a ~T –1.5 rather than ~T –1 dependence. TD 2FC decreases three-phonon scattering rates but increases 4ph rates by decreasing and increasing the scattering phase spaces, respectively. For 4ph phase space, the TD 2FC flattens phonon bands, and allows more redistribution-4ph processes (1 + 2 → 3 + 4) to happen. The combination effect of TD 2FC and TD 4FC reduces 4ph rates of acoustic modes but increases those of optical modes. The TD 3FC and 4FC decrease the phonon scattering cross section and increase the κ ph significantly (by 52% at 3500 K). The contribution from interband (Wigner) phonon conduction is small, even at ultrahigh temperatures. For electronic thermal transport, we find that it is sensitive to and can be changed by 20% by the TD lattice constants. The Lorenz number varies from 1.6 to 3.3 × 10 –8 WΩK –2 at different temperatures. The theoretical prediction in the literature overpredicts κph (e.g., ~28%) and underpredicts the κ el (e.g., ~38%), resulting in an overall underprediction of κ (~26% at 1500 K). The impacts of grain size and defects are found to be strong, leading to the lower observed thermal conductivity in experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Economic Storage Size Optimization for Electric Vehicle Extreme-Fast Charging Stations

En-route charging infrastructure for electric vehicles is critical to support transportation needs. These charging stations are likely to have high loads and especially sharp peak loads given fast charging capabilities needed to meet transportation schedules. In order to reduce both strain on distribution grid infrastructure and charging station operational costs, many stations are likely to employ behind the meter storage. This paper demonstrates a behind the meter storage sizing optimization that employs an open-source agent-based vehicle behavior model (BEAM) to determine the best sizing across many scenarios. This optimization and analysis is novel in that it examines how storage size impacts not only charging station cost and peak load, but also vehicle queue times. The optimization is also applied across a wide analysis region with sufficient diversity and numbers to provide novel statistical analysis of optimal sizes.

Aka, Julius↗

DOE OSTI2022

Inferring Heat Flow in Laser Absorption Regions using Diagnostic Magnetic Fields

This research was motivated by the desire to obtain a measurement of heat-flow in overdense regions of a laser ablated plasma for the first time using a high energy proton beam. For sufficiently high energies, the proton beam can pass through overdense regions and only be deflected by electric and magnetic fields. As the transport of magnetic fields in a plasma are intrinsically linked to the transport of thermal energy, it was posited that such a measurement could be used to infer a heat-flow. While the project did not prove the method to be infeasible, difficulties with understanding the proton radiographs without an imposed magnetic field made the final aim of this project unreached. Instead, however, a closer understanding of proton radiographs of laser-solid interactions without an imposed field has been obtained. 5 shot days on The OMEGA Laser Facility have been awarded (3 through ICF and 2 as ride-along) to further investigate some of these features. Extrapolating current results to hohlraum conditions has the magnetic energy being a significant (10%) fraction of the laser drive energy, which has the potential to explain the NIF hohlraum drive deficit.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Inferring Heat Flow in Laser Absorption Regions using Diagnostic Magnetic Fields: Abstract

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

MRT 7365: Power flow physics and key physics phenomena

The Z accelerator at Sandia National Laboratories conducts z-pinch experiments at 26 MA in support of DOE missions in stockpile stewardship, dynamic materials, fusion, and other basic sciences. Increasing the current delivered to the z-pinch would extend our reach in each of these disciplines. To achieve increases in current and accelerator efficiency, a fraction of Z’s shots are set aside for research into transmission-line power flow. These shots, with supporting simulations and theory, are incorporated into this Advanced Diagnostics milestone report. The efficiency of Z is reduced as some portion of the total current is shunted across the transmission-line gaps prior to the load. This is referred to as “current loss”. Electrode plasmas have long been implicated in this process, so the bulk of dedicated power-flow experiments are designed to measure the plasma environment. The experimental analyses are enhanced by simulations conducted using realistic hardware and Z voltage pulses. In the same way that diagnostics are continually being improved for sensitivity and resolution, the modeling capability is continually being improved to provide faster and more realistic simulations. The specifics of the experimental hardware, diagnostics, simulations, and algorithm developments are provided in this report. The combined analysis of simulation and data confirms that electrode plasmas have the most detrimental impact on current delivery. Experiments over the last three years have tested the theoretical current-loss mechanisms of enhanced ion current, plasma gap closure, and Hall-related current. These mechanisms are not mutually exclusive and may be coincident in the final feed as well as in upstream transmission lines. The final-feed geometries tested here, however, observe lower-density plasmas without dominant ion currents which is consistent with a Hall-related current. The picture of plasma formation and transport formed from experiment and simulation is informing hardware designs being fielded on Z now and being proposed for the Next-Generation Pulsed Power (NGPP) facility. In this picture, the strong magnetic fields that heat the electrodes above particle emission thresholds also confine the charged particles near the surface. Some portion of the plasmas thus formed is transported into the transmission-line gap under the force of the electric field, with aid from plasma instabilities. The gap plasmas are then transported towards the load by a cross-field drift, where they accumulate and contribute to a likely Hall-related cross-gap current. The achievements in experimental execution, model validation, and physical analysis presented in this report set the stage for continued progress in power flow and load diagnostics on Z. The planned shot schedule for Z and Mykonos will provide data for extrapolation to higher current to ensure the predicted performance and efficiency of a NGPP facility.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Road Map for the Development of Commercial Maritime Applications of Advanced Nuclear Technology

The U.S. Department of Energy (DOE) is making significant investments in advanced nuclear reactor development and demonstration programs such as the Advanced Reactor Demonstration Program (ARDP). The innovations in advanced nuclear reactor technologies (defined in Section 1.4.1), including concepts of microreactors and small modular reactors (SMRs), have opened the door to a wide range of applications beyond land-based power stations providing electricity to the grid. Applications for transportation and industrial operations could offer reliable carbon-free energy to achieve decarbonization goals by supporting energy-intensive activities such as alternative fuel production, water desalinization, and local power supply. The DOE recognizes the transformational power of these technologies and is investing in foundational research and development as well as reactor demonstration projects. However, unique and significant challenges exist in each application domain to bring projects into reality beyond just the underlying reactor technology maturation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Draft Prototype Microreactor Transportation Safety Program

Microreactors are compact reactors capable of producing less than 50 megawatts of electrical energy. Typically, these reactors are factory-fabricated and designed to be easily transportable by truck, rail, vessel, or air. Microreactor designs often assume that the unit can be transported containing either unirradiated or irradiated fuel. The interest in microreactors is driven by several factors, including the need to generate power on at remote locations, at military installations, at facilities such as data centers, and in areas recovering from natural disasters. The U.S. Department of Defense is actively pursuing the microreactor concept to meet the increasing energy demands of military operations that require portable and dense power sources. Commercial vendors are also exploring microreactor concepts. The report Microreactor Transportation Emergency Planning Challenges (Maheras et al. 2024) outlined the emergency planning challenges associated with the transportation of microreactors by road, rail, and by barge/ship. The successful commercial deployment and redeployment of microreactors will also require the development of microreactor transportation safety programs. The elements in these safety programs are not specific to microreactors; however, the transport of microreactors may pose unique challenges in these areas. This report builds on the report Microreactor Transportation Emergency Planning Challenges (Maheras et al. 2024) and develops the elements of a prototype microreactor transportation safety program that describes the elements that should be contained vendor-developed microreactor transportation safety programs, identifying the unique elements associated with microreactor transport. This will provide vendors and their transportation contractors a basis for their transportation planning and will accelerate the commercial deployment and redeployment of microreactors by identifying those issues unique to microreactor transport. The emphasis of this report is on highway transport of microreactors. This is based on a U.S. Nuclear Regulatory Commission transportation package approval strategy of crawl-walk-run, where transport by highway is evaluated first (Coles et al. 2021, 2024, Maheras et al. 2021), then other surface modes (rail and barge/ship), and finally air transport. Evaluation of maritime transport of microreactors was recently initiated (Rigato et al. 2024, Maheras et al. 2025). The report first discusses microreactors in general and microreactor transportation safety program planning assumptions. The report then provides a description of the transportation safety planning process and provides an extensive discussion of the elements of transportation safety programs. Specific elements examined included transportation roles and responsibilities, transportation planning, transportation mode and route selection, carrier selection, transportation packaging, advance notification of shipments, public information and communications, emergency response plans and procedures, inspections, security, safe parking, shipment tracking, weather and road conditions, medical preparedness, training and exercises, and program evaluation. The report then identifies the unique elements of a transportation safety program associated with microreactor transport. These unique elements were in the areas of: the unusual nature of microreactor designs, compensatory measures, increased radiation dose rates in the vicinity of microreactors, transportation package approval versus 10 CFR 50.59, and the use of a risk-informed transportation package approval process.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Global Regulations for Sustainable Battery Recycling: Challenges and Opportunities

With the rapid expansion of transportation electrification worldwide, the demand for electric vehicles (EVs) has increased dramatically, creating new and sustainable growth opportunities for the global economy. However, as the most expensive component of EVs, lithium-ion batteries pose significant sustainability challenges due to raw material consumption and supply chain constrains, as well as the complexities of end-of-life battery disposal and recycling. To address these concerns, many countries are actively establishing regulations to promote sustainable pathways for battery reuse and recycling. Despite these efforts, existing battery recycling regulations remain often inefficient and vary significantly across different countries in legal enforcement, producer responsibility, waste classification, recycling targets, design standards, public engagement, and financial incentives, particularly given the complexities of the global supply chain and resource distribution within the battery industry. Understanding these regulatory differences and establishing a unified framework are therefore crucial to ensuring sustainable and efficient battery recycling. This review provides a comprehensive analysis of the necessity of establishing robust regulations for sustainable development of battery recycling industry. The evolution and refinement of battery recycling regulations are deeply reviewed to identifying persistent gaps and challenges in key countries. Furthermore, we discuss the challenges associated with regulatory enforcement and propose strategies for developing a more cohesive legislative framework to ensure the effective utilization of retired batteries.

25 ENERGY STORAGE↗

NASA NTRS1977

Advanced planetary studies

Results of planetary advanced studies and planning support are summarized. The scope of analyses includes cost estimation research, planetary mission performance, penetrator advanced studies, Mercury mission transport requirements, definition of super solar electric propulsion/solar sail mission discriminators, and advanced planning activities.

Source record↗

NASA NTRS1979

The morphology of equatorial Mg/plus/ ion distribution deduced from 2800-A airglow observations

The Visible Airglow Experiment on the Atmosphere Explorer E satellite has observed the resonantly scattered emission from Mg II at 2800 A in the equatorial ionosphere. Altitude profiles of the Mg(plus) ion distribution have been obtained from the inversion of the surface brightness measurements made on spinning orbits. These data show a daytime metallic ion layer between 150 and 200 km developing in the early morning and reaching about 100 ions/cu cm in the afternoon. Mg(plus) ions are also seen in the F 2 region mostly in the late afternoon hours within a few degrees of the dip equator. The study of the vertical column density measured in the despun mode indicates that the amount of Mg(plus) in the F region is most variable in the afternoon hours at low dip latitudes. These results can be explained in part by the diurnal variation of the E x B drift velocity which lifts the metallic ions up into the F region. The observations suggest that the vertical polarization electric field is not the primary transport mechanism extracting the Mg(plus) ions from the low-altitude source layer.

Gerard, J.-C.↗

NASA NTRS1985

Stowable Solar-Cell Array

Solar electric power source easily storable and transportable. Source employs blanket of photovoltaic cells rolled up when not in use. The hollow core of canister reel used as storage space for radio equipment or first aid supplies, etc.

Stella, P. M.↗

NASA NTRS1983

The ISPM unified radio and plasma wave experiment

Hardware for the International Solar Polar Mission (ISPM) Unified Radio and Plasma (URAP) wave experiment is presented. The URAP determines direction and polarization of distant radio sources for remote sensing of the heliosphere, and studies local wave phenomena which determine the transport coefficients of the ambient plasma. Electric and magnetic field antennas and preamplifiers; the electromagnetic compatibility plan and grounding; radio astronomy and plasma frequency receivers; a fast Fourier transformation data processing unit waveform analyzer; dc voltage measurements; a fast envelope sampler for the solar wind, and plasmas near Jupiter; a sounder; and a power converter are described.

Stone, R. G.↗

NASA NTRS1990

Civil air transport: A fresh look at power-by-wire and fly-by-light

Power-by-wire (PBW) is a key element under subsonic transport flight systems technology with potential savings of over 10 percent in gross take-off-weight and in fuel consumption compared to today's transport aircraft. The PBW technology substitutes electrical actuation in place of centralized hydraulics, uses internal starter-motor/generators and eliminates the need for variable engine bleed air to supply cabin comfort. The application of advanced fiber optics to the electrical power system controls, to built-in-test (BITE) equipment, and to fly-by-light (FBL) flight controls provides additional benefits in lightning and high energy radio frequency (HERF) immunity over existing mechanical or even fly-by-wire controls. The program plan is reviewed and a snapshot is given of the key technologies and their benefits to all future aircraft, both civil and military.

Sundberg, Gale R.↗

NASA NTRS1991

Civil air transport: A fresh look at power-by-wire and fly-by-light

Power-by-wire (PBW) is a key element under subsonic transport flight systems technology with potential savings of over 10 percent in operating empty weight and in fuel consumption compared to today's transport aircraft. The PBW technology substitutes electrical actuation in place of centralized hydraulics, uses internal starter-motor/generators and eliminates the need for variable engine bleed air to supply cabin comfort. The application of advanced fiber optics to the electrical power system controls, to built-in-test (BIT) equipment, and to fly-by-light (FBL) flight controls provides additional benefits in lightning and high energy radio frequency (HERF) immunity over existing mechanical or even fly-by-wire controls. The program plan is reviewed and a snapshot is given of the key technologies and their benefits to all future aircraft, both civil and military.

Sundberg, Gale R.↗

NASA NTRS1990

Civil air transport - A fresh look at power-by-wire and fly-by-light

Power-by-wire (PBW) is a key element under subsonic transport flight systems technology, with potential savings of over 10 percent in gross take off weight and in fuel consumption compared to today's transport aircraft. The PBW technology substitutes electrical actuation in place of centralized hydraulics, uses internal starter-motor/generators, and eliminates the need for variable engine bleed air to supply cabin comfort. The application of advanced fiber optics to the electrical power system controls, to built-in-test (BITE) equipment, and to fly-by-light (FBL) flight controls provides additional benefits in lightning and high-energy radio frequency (HERF) immunity over existing mechanical or even fly-by-wire controls. The program plan is reviewed and a snapshot is given of the key technologies and their benefits to future aircraft, both civil and military.

Sundberg, Gale R.↗

NASA NTRS1991

Simulation of high-speed (orbital) releases of electron attachment materials in the ionosphere

The dynamics of ionospheric plasma irregularities produced by the release of electron attachment materials at orbital velocities across the geomagnetic field is studied. A two-dimensional electrostatic fluid model which includes electron attachment and mutual neutralization chemistry, self-consistent electric fields, and three-species transport is developed. Numerical simulations are performed to study the behavior at early and at late times after the release. At early times, of the order of or less than the attachment material neutral collision time, the negative ion cloud produced by the release may structure owing to the shear in the E x B velocity within the cloud. At high altitudes the cloud may bifurcate and form vortices on the back. At lower altitudes where ion-neutral collisional effects dominate, this structuring is suppressed. At late times, after a plasma depletion has formed due to neutralization chemistry, the cloud structures by the E x B interchange instability. Depending on the release altitude, the depletion structures by the collisional or inertial limit of this instability.

Scales, W. A.↗