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DOE OSTI2023

Commissioning results of the BNL Alternating Gradient Synchrotron booster AC dipole

Here, an AC dipole has been installed in the AGS booster as part of polarized beam developments for the future Electron Ion Collider (EIC). This will allow preserving helion beam polarization through two intrinsic resonances during acceleration to an energy corresponding to |$Gγ$| = 10.5. AC dipoles can preserve polarization by forcing the beam to undergo large amplitude vertical betatron oscillations. These coherent oscillations cause all particles to sample the strong horizontal fields of quadrupoles, and result in a full spin flip. In preparation for the AC dipole being used for polarized helions, it was first commissioned with polarized protons. The proton extraction energy was raised to allow protons to cross $Gγ$ = 0 + $v_y$ = 4.8087. As an artifact of the experiment using polarized protons, the booster settings for bunch extraction interfered with the coherent oscillations and limited the maximum coherent amplitude. This interference will be well separated in the case of polarized helions. Polarized protons crossed the $Gγ$ = 0 + $v_y$ intrinsic resonance with a full spin flip through use of the AC dipole. Simulations of the resonance crossing using Zgoubi accurately predict the polarization relative to the coherent amplitude.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Quantum machine learning for chemistry and physics

Machine learning (ML) has emerged as a formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In recent years, it is safe to conclude that ML and its close cousin, deep learning (DL), have ushered in unprecedented developments in all areas of physical sciences, especially chemistry. Not only classical variants of ML, even those trainable on near-term quantum hardwares have been developed with promising outcomes. Such algorithms have revolutionized materials design and performance of photovoltaics, electronic structure calculations of ground and excited states of correlated matter, computation of force-fields and potential energy surfaces informing chemical reaction dynamics, reactivity inspired rational strategies of drug designing and even classification of phases of matter with accurate identification of emergent criticality. In this review we shall explicate a subset of such topics and delineate the contributions made by both classical and quantum computing enhanced machine learning algorithms over the past few years. We shall not only present a brief overview of the well-known techniques but also highlight their learning strategies using statistical physical insight. The objective of the review is not only to foster exposition of the aforesaid techniques but also to empower and promote cross-pollination among future research in all areas of chemistry which can benefit from ML and in turn can potentially accelerate the growth of such algorithms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Reliable edge machine learning hardware for scientific applications

Extreme data rate scientific experiments create massive amounts of data that require efficient ML edge processing. This leads to unique validation challenges for VLSI implementations of ML algorithms: enabling bit-accurate functional simulations for performance validation in experimental software frameworks, verifying those ML models are robust under extreme quantization and pruning, and enabling ultra-fine-grained model inspection for efficient fault tolerance. We discuss approaches to developing and validating reliable algorithms at the scientific edge under such strict latency, resource, power, and area requirements in extreme experimental environments. We study metrics for developing robust algorithms, present preliminary results and mitigation strategies, and conclude with an outlook of these and future directions of research towards the longer-term goal of developing autonomous scientific experimentation methods for accelerated scientific discovery.

Baldi, Tommaso↗

DOE OSTI2024

Are We on Track for 2050? A Materials Research & Sustainability Perspective

In commemoration of the Materials Research Society (MRS)'s 50th anniversary, the 2050 panel hosted a discussion to reflect on the past, present, and future of sustainability and the role of materials research and development. Three panelists discussed their views, based on their expertise, about future challenges and lessons from the past. Sustainable development is a broad topic; therefore, the discussion centered on their experience as material researchers and their efforts for a better and greener future. This work is developed in collaboration with the co-authors team, highlighting the need for accelerating research and development efforts, especially in materials science and applications, fostering interdisciplinary partnerships, and mobilizing collective action to address the complex and interconnected sustainability challenges that humanity is currently facing.

ENERGY PLANNING, POLICY, AND ECONOMY,ENVIRONMENTAL↗

DOE OSTI2015

A MultiAir®/MultiFuel Approach to Enhancing Engine System Efficiency

FCA US LLC (formally known as Chrysler Group LLC, and hereinafter “Chrysler”) was awarded an American Recovery and Reinvestment Act (ARRA) funded project by the Department of Energy (DOE) titled “A MultiAir®/MultiFuel Approach to Enhancing Engine System Efficiency” (hereinafter “project”). This award was issued after Chrysler submitted a proposal for Funding Opportunity Announcement DE-FOA- 0000079, “Systems Level Technology Development, Integration, and Demonstration for Efficient Class 8 Trucks (SuperTruck) and Advanced Technology Powertrains for Light-Duty Vehicles (ATP-LD).” Chrysler started work on this project on June 01, 2010 and completed testing activities on August 30, 2014. Overall objectives of this project were; Demonstrate a 25% improvement in combined Federal Test Procedure (FTP) City and Highway fuel economy over a 2009 Chrysler minivan; Accelerate the development of highly efficient engine and powertrain systems for light-duty vehicles, while meeting future emissions standards; and Create and retain jobs in accordance with the American Recovery and Reinvestment Act of 2009

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Increased Fissile Loading Flowsheet Review

A request was made by H-Canyon Process Engineering to assess the impact of blending dissolved, neutralized Spent Nuclear Fuel (SNF) with future sludge batches and their impact on downstream processing facilities. The purpose of this change is to accelerate the deinventory of SNF which is currently stored in the L-Area Disassembly Basin.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Aluminum Ultra-conductors for Energy-Efficient Aerospace Busbar Applications (Abstract)

In this project, we will develop aluminum ultra-conductors with graphene additives demonstrating enhanced electrical conductivity at 90 °C compared to electric grade aluminum alloy AA1100 (43% IACS at 90 °C). While ultra-conductivity has been developed in copper and copper alloys, it is yet to be reported extensively in aluminum-based materials. This project will scale initial work done at PNNL on aluminum ultra-conductors using shear-assisted processing and extrusion (ShAPETM), a novel solid phase processing technique. Ultra-conductors are an emerging class of composites, comprised of a metal substrate with small quantities of nanocrystalline additives such as graphene or carbon nanotubes that demonstrate enhanced conductivity at relevant operating temperatures. Aluminum ultra-conductors can improve efficiency and power density while reducing the demand for copper in a wide range of applications, such as power transmission cables and electric motors. Busbars are an important component in aerospace systems that require lightweight and high-current power distribution including both future electric vertical take-off and landing (eVTOL) aircrafts and current aircraft electrical systems. We will accelerate aluminum ultra-conductor composite formulation development using combinatorial synthesis and testing methods aided by process/microstructure modeling, developed previously at PNNL. Eaton will test the properties of the ShAPE aluminum ultra-conductor feedstock (used to make the busbars) in relevant operating conditions (20 – 90 °C), predict the improvement in busbar performance when manufactured with ultra-conductors over commercial conductors (such as AA1100), and perform technoeconomic analysis to evaluate the potential for commercialization of ShAPE aluminum ultra-conductors. The project is expected to have a budget of $\$375$K, with $\$300$K in federal funding and $\$75$K in-kind cost-share contribution from Eaton over a period of performance of 24 months. Of the $\$300$K of federal funds, $\$140$K is allocated for CRADA activities that generate intellectual property (IP), and the remaining $\$160$K is reserved for modeling, material testing, characterization, travel, and reporting-related activities.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Towards the first high-Q treatments for 800 MHz 5-cell elliptical cavities

High-efficiency, high-velocity, sub-GHz elliptical superconducting RF cavities are a critical enabling technology for multiple upcoming accelerator development projects such as for the Powerful Energy Recovery Linac for Experiments (PERLE), and for the Future Circular Collider s (FCC) Booster, and future realizations of its Collider ring. The ambitious quality factor and gradient requirements of these applications require strong SRF R&D programs aimed at developing and optimizing advanced surface processing techniques for 800 MHz cavities. We report the initiation of the 800 MHz R&D program at Fermilab, with the aim of developing high-performance cavities compatible with PERLE and FCC applications.

McGee, K.↗

DOE OSTI2025

Status of the PrimEx $\eta$ experiment at Jefferson Lab

The GlueX detector in the experimental Hall D at Jefferson Lab offers a unique opportunity to perform a measurement of the decay width of eta mesons through the Primakoff effect. The experiment complements the physics program at Jefferson Lab on measuring the decay width of light pseudoscalar mesons via the Primakoff process. The goal of the experiment is to measure differential cross sections of eta mesons at forward angles using a beam of tagged photons incident on a liquid 4He target, which will be used for the extraction of the decay width. This measurement is vital for understanding fundamental properties like the ratios of the light quark masses and the eta - eta' mixing angle, and will provide an important test of chiral symmetry breaking in QCD. Our experimental results will help reduce uncertainties on partial widths of all other eta decays. The experiment collected data during three physics runs between 2019 and 2022. We will give an overview of the PrimEx eta experiment and the current status of our data analyses. We will also discuss the feasibility of conducting future Primakoff measurements in light of the recent upgrade of the GlueX forward calorimeter and the potential accelerator energy upgrade to 22 GeV.

Somov, Alexander↗

NASA NTRS1993

CFD analysis of hypersonic, chemically reacting flow fields

Design studies are underway for a variety of hypersonic flight vehicles. The National Aero-Space Plane will provide a reusable, single-stage-to-orbit capability for routine access to low earth orbit. Flight-capable satellites will dip into the atmosphere to maneuver to new orbits, while planetary probes will decelerate at their destination by atmospheric aerobraking. To supplement limited experimental capabilities in the hypersonic regime, computational fluid dynamics (CFD) is being used to analyze the flow about these configurations. The governing equations include fluid dynamic as well as chemical species equations, which are being solved with new, robust numerical algorithms. Examples of CFD applications to hypersonic vehicles suggest an important role this technology will play in the development of future aerospace systems. The computational resources needed to obtain solutions are large, but solution adaptive grids, convergence acceleration, and parallel processing may make run times manageable.

Edwards, T. A.↗

NASA NTRS1998

Demonstrating the Performance Benefits of the Strutjet RBCC for Space Launch Architectures

The Rocket Based Combined Cycle (RBCC) engine synergistically combines the best elements of airbreathing and rocket propulsion to benefit a wide range of future reusable launch vehicles. Aerojet's Strutjet RBCC offers high I(sub sp) during mid-phase acceleration, and high thrust for boost and final ascent phases. The result is a relatively low gross weight vehicle with lower thrust requirements than comparable all-rocket solutions. Relative to combination propulsion systems, the integrated propulsive elements of the Strutjet reduce engine weight and complexity. In the recent NASA Highly Reusable Space Transportation (HRST) study, vehicles with RBCC-class engines were projected to have lower per flight operations costs than comparable rockets. The more benign operating environment of the RBCC engine primary rockets (2000 psi chamber pressure, lower internal temperatures, gas generator cycle) lead to longer service life, fewer maintenance actions, and increased reliability. Operations costs are typically the most significant contributor to life cycle costs. RBCC-powered vehicles lend themselves naturally to horizontal takeoff, which typically requires less thrust for a given gross vehicle weight when compared to an all-rocket-powered vehicle. The lower thrust requirements reduce engine size and/or quantity, reducing the n of ground personnel and facilities required to maintain the vehicle. The reduced sensitivity to mass fraction also allows the vehicle to be designed with higher margins for improved life and reliability. Because of its multi-mode ascent operation and ability to perform long cruise segments, the strutjet RBCC offers RLV designers a chance to create vehicles with an unprecedented level of mission flexibility. Features such as supersonic cruise, flyback, off-set launch, self-ferry, horizontal takeoff and landing, multi-base operation, and flexible aborts open up a broad range of potential revenue producing missions. The Strutjet can lead to low-cost vehicle designs in traditional areas such as LEO cargo delivery and ISS resupply, and also lead to economically attractive vehicles for small payload missions difficult to achieve with all-rocket solutions. The performance capability of the Strutjet RBCC has been demonstrated in all operating mod underfunding from NASA MSFC and Aerojet as a result of over 1000testsand over 13 years of continuous development-a significant resource investment in the Strutjet engine design.

Johnson, D.↗

NASA NTRS1965

Significance of the Atmosphere and Aircraft Operations on Sonic-Boom Exposures

The information of the paper is in the form of a status report on the state of knowledge of sonic-boom phenomena, dealing first with the pressure buildups in the transonic speed range and with the lateral extent of the pattern in steady flight for quiescent atmospheric conditions. There are also discussions of recent data from flight-test studies relating to atmospheric dynamic effects on the sonic-boom signatures, and finally, brief discussions of the significance of signature shape on the response of people and structures. The acceleration and lateral-spread phenomena appear to be fairly well understood and predictable for current and future aircraft. Variations in the sonic-boom signature as a result of the effects of the atmosphere can be expected during routine operations. From the data evaluated to date, very similar variations in pressure signatures are noted for both fighter and bomber aircraft. The greatest questions still exist in the area of community acceptance of sonic booms. A more definitive answer to the community-acceptance problem will have to await adequate flight experience with larger aircraft.

Maglieri, Domenic J.↗

DOE OSTI2020

Technoeconomic Analysis of Photovoltaics Module Manufacturing with Thin Silicon Wafers

Reducing silicon usage by adopting thinner wafers can significantly reduce capital expenditure (capex) and cost, and thus accelerate the growth of manufacturing capacity and deployment. In this work, we evaluated potential benefits of thin Si wafers for current and future PV modules. We apply a technoeconomic framework that couples bottom-up cost model, and a cash-flow growth model to analyze PV modules with thin wafers. First, we show that, comparing the current PERC with 160 um thick wafers to the high-efficiency concept with 50 um thin wafers, the capex is reduced from 0.39 to 0.2 $/(W/year) while the cost is from 0.32 to 0.2 $/W. Second, the potential of accelerated deployment is analyzed for the highefficiency thin wafer concept. We found the significant advantages of higher growth rate (~20% relative) and higher deployment plateau (~3 times) than the current PERC modules. modules with thin wafers. First, we show that, comparing the current PERC with 160 um thick wafers to the high-efficiency concept with 50 um thin wafers, the capex is reduced from 0.39 to 0.2 $/(W/year) while the cost is from 0.32 to 0.2 $/W. Second, the potential of accelerated deployment is analyzed for the highefficiency thin wafer concept. We found the significant advantages of higher growth rate (~20% relative) and higher deployment plateau (~3 times) than the current PERC modules.

14 SOLAR ENERGY↗

DOE OSTI2024

Invertible Temper Modeling using Normalizing Flows and the Effects of Structure Preserving Loss

Advanced manufacturing research and development is typically small-scale, owing to costly experiments associated with these novel processes. Deep learning techniques could help accelerate this development cycle but frequently struggle in small-data regimes like the advanced manufacturing space. While prior work has applied deep learning to modeling visually plausible advanced manufacturing microstructures, little work has been done on data-driven modeling of how microstructures are affected by heat treatment, or assessing the degree to which synthetic microstructures are able to support existing workflows. We propose to address this gap by using invertible neural networks (normalizing flows) to model the effects of heat treatment, e.g., tempering. The model is developed using scanning electron microscope imagery from samples produced using shear-assisted processing and extrusion (ShAPE) manufacturing. This approach not only produces visually and topologically plausible samples, but also captures information related to a sample’s material properties or experimental process parameters. We also demonstrate that topological data analysis, used in prior work to characterize microstructures, can also be used to stabilize model training, preserve structure, and improve downstream results. We assess directions for future work and identify our approach as an important step towards end-to-end deep learning system for accelerating advanced manufacturing research and development.

Howland, Sylvia↗

DOE OSTI2016

High-energy neutrino emission from white dwarf mergers

The merger of two white dwarfs is expected to result in a central fast-rotating core surrounded by a debris disk, in which magnetorotational instabilities give rise to a hot magnetized corona and a magnetized outflow. The dissipation of magnetic energy via reconnection could lead to the acceleration of cosmic-rays (CRs) in the expanding material, which would result in high energy neutrinos. We discuss the possibility of using these neutrino signals as probes of the outflow dynamics, magnetic energy dissipation rate, and CR acceleration efficiency. Importantly, the accompanying high-energy gamma-rays are absorbed within these sources because of the large optical depth, so these neutrino sources can be regarded as hidden cosmic-ray accelerators that are consistent with the non-detection of gamma-rays with Fermi-LAT. While the CR generation rate is highly uncertain, if it reaches ∼10{sup 45} erg Mpc{sup −3} yr{sup −1}, the diffuse neutrino flux could contribute a substantial fraction of the IceCube observations. We also evaluate the prospect of observing individual merger events, which provides a means for testing such sources in the future.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Acceleration of Cooling of Ice Giants by Condensation in Early Atmospheres

The present infrared brightness of a planet originates partly from the accretion energy that the planet gained during its formation and hence provides important constraints to the planet formation process. A planet cools down from a hot initial state to the present state by losing energy through radiative emission from its atmosphere. Thus, the atmospheric properties affect the planetary cooling rate. Previous theories of giant planet cooling assume that the atmospheric composition is unchanged throughout the evolution. Planet formation theories, however, suggest that the atmospheres especially of ice giants are rich in heavy elements in the early stages. These heavy elements include condensable species such as H{sub 2}O, NH{sub 3}, and CH{sub 4}, which are expected to have a great impact on atmospheric temperature and thus on radiative emission through latent heat release. In this study we investigate the effect of such condensation on the planetary emission flux and quantify the impact on the cooling timescale. We then demonstrate that the latent heat of these species keeps the atmosphere hot and thus the emission flux high for billions of years, resulting in an acceleration of the cooling of ice giants. This sheds light on the long-standing problem that Uranus is much less bright than theoretically predicted and is different in brightness from Neptune in spite of the similarity in mass and radius. We also find that young ice giants with highly enriched atmospheres are much brighter in the mid-infrared than ice giants with non-enriched atmospheres. This provides important implications for future direct imaging of extrasolar ice giants.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Future Battery Material Demand Analysis Based on U.S. Department of Energy R&D Targets

The U.S. Department of Energy’s Vehicle Technologies Office (VTO) supports research, development, and deployment of efficient, sustainable transportation technologies that will improve energy efficiency and fuel economy, and enable America to use less petroleum. To accelerate the development and adoption of new technologies, VTO has developed specific targets for a wide range of powertrain components, including the energy storage system. In this study, we use Autonomie, Argonne National Laboratory’s (Argonne’s) vehicle system simulation tool to evaluate future energy storage requirements (power, energy, etc.) for different vehicle classes, powertrains, component technologies and timeframes. BatPac, Argonne’s tool dedicated to energy storage pack design and costs, is then used to quantify the materials required for each pack. Market penetrations are then used to estimate the overall material demand worldwide and in the United States, with or without recycling. The results demonstrate that the positive impact of VTO research and development will lead to significant reduction in material compared to business-as-usual due to new anode and cathode designs, along with acceleration in battery cell chemistry penetrations. In terms of material demands, it is observed that lithium demand reaches about 80,000 tons (by a factor of 42–45), nickel demand reaches about 500,000 tons (by a factor of 47–56), manganese demand reaches about 30,000–50,000 tons (by a factor of 20–34), and cobalt demand reaches about 30,000 tons (by a factor of 13–28) in the future by 2050. The individual material demand per unit energy, however, decreases significantly in the future due to advances in VTO research and development activities. The increase in battery material demands is mostly driven by increased electrified vehicle fleet penetration in the markets.

25 ENERGY STORAGE↗

DOE OSTI2023

Positron beams at Ce+BAF

Positron beams would provide a new and meaningful probe for the experimental program at the Thomas Jefferson National Accelerator Facility (JLab). The JLab Positron Working Group, formed in 2018 and now with over 250 members from 75 institutions, continues to develop an experimental program with high duty-cycle positron beams including but not limited to future hadronic physics and dark matter experiments. Critical requirements involve generating positron beams with a high degree of spin polarization, sufficient intensity and a continuous-wave (CW) bunch train compatible with acceleration to 12 GeV at the Continuous Electron Beam Accelerator Facility (CEBAF). In this presentation we describe a start-to-end layout for positron beams at 12 GeV CEBAF utilizing the Low Energy Research Facility (LERF) at Jefferson Lab to build two new injectors. A GaAs dc high voltage photo-gun first generates >1 mA of polarized electrons which are then accelerated to 80-150 MeV and directed to a high-power spinning W target for polarized bremsstrahlung and positron pair creation. A second injector then collects, bunches and accelerates the positrons to 123 MeV. The positron beams are transported by a new beam line and injected into the CEBAF acceptance for acceleration to the end stations with energies up to 12 GeV. The layout is optimized to provide Users with positron spin polarization >60% and intensity greater than >100 nA, and with higher intensities when polarization is not required.

Benesch, J.↗