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This document summarizes the findings resulting from the award No DE-SC0021039.
High-Entropy Alloys and Electrospun Nanofiber materials are two novel classes of materials that can offer improved resistance to beam-induced radiation damage and thermal shock. Research to develop these new materials specifically for multi-megawatt accelerator target applications, such as beam windows and particle-production targets, has recently begun. The research program will combine in-beam experiments with complementary simulations to tailor the microstructures of these novel materials for use in next-generation accelerator target facilities. Iterative simulations to optimize the material composition, physics performance and beam-induced thermomechanical response will guide the material design and fabrication processes based on established figures of merit. Ensuing material irradiation experiments using low-energy ions and prototypic high-energy protons, followed by extensive post-irradiation material characterization, will then assess and qualify the selected novel materials. This talk will provide an overview of the novel materials development research program initiated at Fermilab through my DOE Early Career Research Program award.
This final technical report summarizes the work of the Michigan State University (MSU) team supported by grant # DE-SC0021423 awarded by the Office of Nuclear Physics, Department of Energy. Objectives: The successful fulfillment of the FRIB science mission hinges on ensuring the availability of fast, stopped, and reaccelerated beams consisting of rare isotopes. This project's research and development focus was dedicated to supporting the advancement and creation of a cutting-edge linear gas stopper. The primary aim is to efficiently convert the high-intensity fast beams of rare isotopes provided by FRIB into high-quality, low-energy beams. These beams are essential for conducting stopped beam experiments or for subsequent reacceleration. The overarching goal is to advance technology, aiming to increase the beam rate capability of the linear gas stopper for medium-to-heavy-mass rare isotopes by more than tenfold compared to the currently most effective gas stopper in operation, and to improve the purity of the delivered beams. Project Description: The existing technology employed in gas stopping devices designed for low-energy, rare-isotope beams presents limitations in both the purity of extracted beams and the intensities of injected beams. These limitations are incompatible with the requirements of the recently commissioned rare isotope beam facility, FRIB. Our research and development efforts, aligned with the previously outlined objectives, focused on addressing the most critical aspects for enhancing beam-rate capability and purity. Specifically, advanced particle-in-cell simulations were developed and integrated into a simulation pipeline to explore the efficacy of multi-layer RF carpets on increasing ion transport efficiency with high incoming beam rates that generate space charge fields which can limit it. We also explored the possibility of using a collision-induced-dissociation (CID) gas cell to break up molecular contaminant ions that are generated during the stopping process. A prototype CID gas cell was constructed and tested with beams from an offline ion source, validating the concept with the successful demonstration of breaking of molecular ions. The outcome of this research enabled the formulation a conceptual design for a next-generation linear gas stopping device specifically tailored for FRIB. This device is envisioned to deliver rare-isotope-ion beams at a rate of 10 8 particles per second or higher, accompanied by advancements in purity. Methods employed: This project leverages advancements in technologies initially designed for the Advanced Cryogenic Gas Stopper (ACGS), the current state-of-the-art linear gas stopper, through the use of new simulations and beam purification via collision-induced-dissociation. The methods include: 1. Development of a prototype low-energy, low-pressure CID gas stopper. This prototype features a thin, approximately 20 nm, Si 3 N 4 entrance window designed for dissociating stable and rare-isotope molecular ions. The goal is to enhance beam purification and overall efficiency. 2. Creation of Particle-in-cell (PIC) simulations to assess the advantages of multi-layer RF carpets and multi-point extraction for ion transport efficiency. These simulations rely on the 3DCylPIC package, specifically designed for studying devices of this nature. The goal is to quantify and mitigate ion transport losses due to space charge generated in the stopping process of large numbers of ions. 3. Perform ion transport simulations across an RF carpet using an 8-phase travelling wave and evaluate its performance. Compared to the 4-phase RF carpets used in ACGS, the 8-phase carpets will double the wavelength of the generated traveling wave allowing for larger maximum RF amplitudes that could result in improved ion transport efficiency for high-intensity incoming beams when large space charge fields are present. Impact: Tackling the primary challenges associated with transforming high-energy projectile fragment beams into low-energy beams—specifically, addressing efficiency and purity—holds significant promise for advancing FRIB science. This advancement will particularly impact precision mass measurements, laser spectroscopy of short-lived nuclei, and studies in astrophysics and nuclear reactions using reaccelerated beams. These domains play a crucial role in addressing key questions outlined in the 2023 NSAC long-range plan, spanning nuclear structure, nuclear astrophysics, and fundamental symmetries. Additionally, they contribute to addressing 10 out of the 17 benchmarks identified by the NRC RISAC. The development of a next-generation gas stopping device capable of delivering low-energy, rare-isotope beams at a rate of 10 8 particles per second, or more, with high purity holds the potential to unlock experiments that would otherwise be unfeasible. Furthermore, it is expected to reduce the time required for experiments at FRIB, thereby maximizing scientific output. The research and development activities performed as part of this project bolstered essential competencies at FRIB in beam physics and ion source technologies, provided valuable training opportunities for junior scientists.
The DMC meeting, since 1965, has a great history of providing a unique platform and focal point for the gathering of experimentalists and theoreticians in the field of chemical dynamics. At this biannual conference which spans five days, the latest developments in bimolecular reactions, unimolecular reactions, reactions in clusters and solutions, reactions at interfaces, reactions in combustion, atmospheres, and interstellar media, as well as cold chemistry, new spectroscopic techniques and non-adiabatic reactions will be discussed by experts in these fields. The 2021 meeting was postponed due to Covid but is back in 2023 including the traditional awarding of two Herschbach Medals, honoring important contributions to the fields of theoretical and experimental dynamics respectively. The 2023 meeting will be organized by Richard Dawes (Chair) and Amy Mullin (Vice Chair). The DMC format encourages participation of young scientists through invited and contributed talks as well as posters. This proposal seeks support for students, post-docs and invited scientists to attend the meeting.
Pacific Northwest National Laboratory (PNNL) provided technical assistance to NorthWrite Inc. under the Small Business Vouchers (SBV) Pilot. NorthWrite delivered services to owners of small commercial buildings, using a cloud-based service to monitor, control, and optimize building operations, saving energy and reducing operating costs for the owners while ensuring that occupant comfort needs were consistently met. NorthWrite had a longstanding desire to add a new suite of diagnostic capabilities to their service offering and had been trying, without success, to incorporate several diagnostic algorithms published by PNNL. These algorithms arise from research previously supported by BTO. Through the SBV awarded to NorthWrite, PNNL made available technical knowledge regarding the derivation and application of the following sets of algorithms for use in the NorthWrite Cloud-based service delivery system: • algorithms for monitoring rooftop packaged air conditioners and heat pumps (often referred to as rooftop units or RTUs) and diagnosing faults in these units, • advanced algorithms for automated fault detection and diagnosis of other equipment found in small buildings, and • algorithms for identifying, prioritizing, and assessing the economic effectiveness of implementing energy saving measures in small commercial buildings based on sensed data. The PNNL researchers involved were the original developers of these algorithms, had a unique understanding of the derivation of the algorithms, and had the source data used for this derivation. Further, the PNNL researchers had extensive experience using these algorithms in the laboratory, unique experience applying these algorithms in real-world small commercial buildings and could solve a number of key problems that NorthWrite and other users faced in using these algorithms at scale. In addition, PNNL had recently installed a pair of RTUs in a laboratory setting that were instrumented and connected with data acquisition systems that provided a unique test rig for validating the algorithms before NorthWrite began to deploy their new services in the field.
NanoSonic was recently awarded a DOE Phase IIB SBIR program for the commercialization of an innovative metal-free polymer based H2 dispensing hose to make H2 an economically viable fuel alternative to gasoline. During the Phase I and Phase II base programs, NanoSonic's H2 hose demonstrated ultra-high hydrostatic burst strength values > 31,000 psi where failure occurred due to fitting slippage, rather than hose burst. Additionally, our hoses survived > 51,000 pressure impulse cycles at 12,000 psi over a thermal cycle of -40 °C to 85 °C. These hoses also failed due to fitting slippage. Thus, our Phase IIB program is centralized on the addition of a new fitting, polymer hose refinement, and validation of a complete hose and fitting system certified for use with H2. While NanoSonic has partnered with the National Renewable Energy Laboratory (NREL) to test our hose on their robotic H2 dispensing system, we are also seeking durability with the H2 environment at the molecular level. Here, NanoSonic proposes a CRADA with Pacific Northwest National Laboratory (PNNL), who has expertise in H2 polymer materials compatibility. Together, we will determine the lifetime of our H2 hose polymer and composite constituents via: 1) time-temperature superposition (TTS) studies via dynamic mechanical analysis (DMA) under H2, 2) friction and wear resistance under in situ H2 tribometry, and 3) multi-axis strain testing under cryogenic conditions. PNNL has the unique test equipment essential to gain this type of insight and lifetime prediction data. Importantly, the work conducted under the proposed CRADA will increase the safety and reliability of our H2 hoses while expanding the market for use of our low H2 permeation polymers and durable cryogenic composites to realize the H2@Scale objectives to reduce the cost of H2.
On the quest for a predictive model of atomic nuclei, the properties of rare isotopes have emerged as critical observables that benchmark extrapolations, identify missing physics ingredients in models, or that enable discovery science. Formerly NSCL and now FRIB facilitate world-leading experiments due to the availability of fast, stopped, and reaccelerated rare-isotope beams in conjunction with unique instruments. DOE-SC NP Award DE-SC0020451 supported from 2019 to 2023 MSU’s nuclear structure and reactions program that tackles compelling questions in the field with complementary techniques, probing single-particle and collective degrees of freedom in relevant regions of the nuclear chart and enabled developments that positioned the PIs and their research groups for first FRIB science.
Here we provide a final summary of the award that was used to purchase 200 TB of disk space and to provide one semester of teaching relief to facilitate co-Spokesperson duties.
The 2022 American Conference on Theoretical Chemistry (ACTC) took place July 25 – July 28 at The Village at Palisades Tahoe in Palisades Tahoe, California (formerly Squaw Valley). The Chair and Vice-Chair of the conference were Todd Martínez (SLAC National Accelerator Laboratory) and David Beratan (Duke University), respectively, and the Deputy Chairs and Local Organizers were Edward Hohenstein (SLAC National Accelerator Laboratory) and Sergey Varganov (University of Nevada, Reno). Held every three years since 1972, the ACTC plays a vital role in presenting pioneering research to a diverse audience in theoretical and computational chemistry. The ACTC 2022 brought together 27 invited speakers who are at the forefront of the field, and provided opportunities for about 150 junior scientists and graduate students to present their work in poster format and exchange ideas with leaders in the field. The funds provided by this DOE award were used to defray $100 of the registration costs for the first registered 98 graduate students and postdoctoral scholars attending the conference. The DOE support was acknowledged on the ACTC 2022 web page (https://sites.google.com/view/actc2022/home) and on a slide that was shown during Conference Introduction and breaks between talks.
The Standard Model (SM) of particle physics is a thoroughly well-tested theory of all electroweak scale phenomena to date—the most recent test being the discovery of the long-predicted Higgs boson. However, there is much evidence to suggest that it is incomplete. On the formal side, the mass of the Higgs particle itself is perplexingly small, while the largest theoretical energy scale of the SM is 17 orders of magnitude larger, a puzzle known as the hierarchy problem. On the experimental side, among other things, the SM lacks a candidate for dark matter, which is now known to play an indispensable role in astrophysical large scale structure formation. Many theories that address the fundamental puzzles of the SM predict the existence of multiple Higgs bosons, including a very light boson that couples preferentially to third-generation fermions. Observation of this new light boson, either directly produced or in the decay of the recently discovered SM Higgs, would provide an unmistakable sign of new dynamics in nature. The research supported by this award used data collected by the Compact Muon Solenoid (CMS) detector at the Large Hadron Collider (LHC) to explore boosted di-tau signatures of a new light boson as a tool in the quest to understand the shortcomings of the SM. With a proton-proton collision energy of 13 trillion electron-volts (TeV) and peak instantaneous proton luminosity of over 10^34 collisions per square centimeter per second (cm –2 s –1 ), the LHC is the only facility in the world that could enable this line of research. The research sought to address the hierarchy problem and other shortcomings of the SM through a mixture of LHC data analysis, maintenance of the CMS detector to ensure high quality data, and contributions to the Phase 2 upgrade detector for the upcoming High Luminosity phase of the LHC (HL-LHC).
The landscape of computational science and engineering is continually evolving, with the challenge of high-dimensional regression problems standing as a significant hurdle in numerous scientific endeavors. Addressing this challenge, our research, funded by this award, has led to the development of an innovative computational framework known as Probabilistic Partition of Unity Networks (PPOU-Nets). This initiative represents a collaborative effort to harness the potential of mathematics and physics-informed machine learning in tackling multiscale and multiphysics problems prevalent in high-dimensional spaces. Through this work, we have proposed a novel methodology that seamlessly integrates adaptive dimensionality reduction and a mixture of experts model, thereby facilitating a more efficient and accurate approximation of complex functions. This research effort has not only advanced the state of computational science but also opened new avenues for exploration in quantum computing and beyond. This report outlines the motivation, methodology, key findings, and implications of our work, underscoring our contributions to the broader scientific community and the potential pathways for future research.
Final report on grant awarded to NIU to support SRF quarter-wave gun R&D at Argonne National Laboratory.
Solvent extraction is commonly used to separate different f-metals found in spent nuclear fuel, but this process results in large volumes of highly contaminated liquid waste that must be remediated or stored at significant expense. The project funded under this award was aimed at addressing solvent-related issues encountered in conventional f-metal separations. Our strategy focused on using solvent-free mechanochemical reactions to prepare lanthanide and actinide borohydride complexes so that they could be separated based on differences in their volatility. Key deliverables described in this report include proof-of-principle results demonstrating that borohydrides called aminodiboranates can be used for volatile lanthanide/lanthanide and lanthanide/uranium separations, as we proposed. Moreover, exploration of a closely related class of borohydrides called phosphinodiboranates allowed us to identify underlying chemical factors that control the volatility of trivalent lanthanide and uranium borohydride complexes with identical structures. Details of published and pending research products are provided, and these include comprehensive synthesis and characterization efforts required to support fundamental studies related to the proposed separations. These technical efforts supported the training of nine graduate students and three undergraduate researchers, and they established air-sensitive transuranic capabilities at the University of Iowa to enhance radiochemical workforce development
Nanoporous materials (NPMs), including zeolites/zeotypes, metal-organic frameworks (MOFs), covalent organic frameworks, polymers with intrinsic microporosity, and molecular cages, possess enormous potential in diverse areas relevant to the DOE Office of Science Basic Energy Sciences (BES) mission and objectives. The Nanoporous Materials Genome Center (NMGC) has developed exascale-ready software, computational/theoretical chemistry methods, and data-driven science approaches that enable (i) the de-novo design of functional NPMs for chemical separation and catalysis tasks of increasing complexity, (ii) the discovery of the most promising functional NPMs from databases of synthesized and hypothetical adsorbent structures and the optimization of process conditions for specific applications, and (iii) the microscopic-level understanding of the fundamental interactions underlying the function of NPMs including hierarchical architectures, composite materials, responsive frameworks that may undergo phase transitions or post-synthetic modifications, and materials containing defects, partial disorder, or interfaces. A pivotal part of the NMGC project has been a tight collaboration between leading experimental groups for synthesis and characterization of NPMs and of computational groups that allowed for iterative feedback. The NMGC project has resulted in the publication of more than 290 research and review articles including more than 60 publications in high-impact journals and more than 15 journal covers. NMGC publications have already received more than 20,000 citations (with more than 3,000 citations per year in 2021, 2022, and 2023) and contribute to an h-index of more than 72. The NMGC award has supported collaborative research involving 28 research groups and contributed to the training of more than 40 postdocs, more than 60 graduate students, and more than 20 undergraduate students with broad expertise in data-driven science approaches, computational chemistry methods, and high-performance computing, in addition to the skills to thrive in an integrated experimental and computational research environment.
In April of 2022, SolarSCADA, Inc., was awarded voucher funding to conduct research and analysis at the National Renewable Energy Laboratory (NREL) per the American-Made Solar Prize. SolarSCADA produces a fully integrated data acquisition system that is designed specifically for PV fields and includes a data monitoring platform. SolarSCADA is focused providing the SSI unit with all sensors/measurements per requirements in IEC-61724-1 [1] and with utility scale bankability. The objective of the SolarSCADA voucher funding was established as follows: Leverage NREL's existing calibration and environmental testing capabilities to evaluate the stability of the SSI channels and overall systeme in response to extreme environmental conditions associated with fielded PV.
Curtailed photovoltaic (PV) generation is a zero-marginal-cost spinning reserve that can be used for a number of active power control services. Unlike traditional spinning reserve providers, however, i.e., fossil-fueled generators, which have well-defined operating characteristics, e.g., available headroom or potential high limit (PHL), PV plants have by nature variable and uncertain operating characteristics. To ensure the effective coordination between PV plants and the system operator during an active power control event, accurate knowledge of the PV PHL is essential. It ensures that enough headroom is reserved by the PV plants to deliver the award services in real time and informs feasible dispatch decisions made by the market operator. To tackle this challenge, a novel reference-control grouping-based PV plant reserve estimation method has been proposed by the National Renewable Energy Laboratory under past projects funded by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Solar Energy Technologies Office. The estimation method separates inverters within a plant into two groups: a control group and a reference group. While the reference group is reserved to operate at its PHL, the control group can be curtailed to provide the grid services. Real-time outputs from the reference inverters are used to estimate the PHL for the whole plant based on the ratio between capacities of the reference group and of the plant. This work further enhances the methodology by (1) improving the model accuracy through machine learning; (2) automating the reference inverter selection through correlation analysis; (3) considering estimation look-ahead windows; and (4) applying to regional spinning reserve estimation. Significant performance improvement has been observed based on real-world data collected by CAISO, Southern Company, and Terabase Energy. Compared with the original scaling method, the newly proposed machine learning-based approach reduces the estimation errors by 30% and 13% at the plant level and region level, respectively. Results obtained from this project are intended to be used by grid operators, market operators, balancing authorities, and PV plant owners and operators to facilitate PV participation in ancillary service markets. Regulators, policymakers, and system planners can also consider the results of this work in their decision-making processes. In addition to the performance improvement on the existing reference-control based grouping method, we also investigated how the variability of PV generation from a single PV inverter can be used to represent the variability of PV generation at the plant level.
This is a final technical report for DOE Award No. DE-SC0018995. Using data collected during the MARCUS deployment of the 2nd ARM mobile facility, this project sought to address the following scientific questions: 1. What are the conditions that govern phase partitioning in supercooled boundary layer clouds over the high latitude Southern Oceans? 2. To what extent are supercooled mixed phase clouds responsible for the high cloud fractions over the Southern Ocean and do these mixed phase clouds contribute to the model biases in absorbed shortwave radiation? 3. Can the cloud properties and phase partitioning over the Southern Ocean be linked to the underlying aerosol environment? 4. How do the aerosol properties at the surface vary spatially and seasonally over the high latitude Southern Ocean and what processes control these features? 5. How well defined are the atmospheric compositional boundaries between Southern Ocean marine, Antarctic free tropospheric, and Antarctic surface airmasses, and how does this influence the chemistry and physics of the Southern Ocean atmosphere? In this project we published three peer review journal articles that address these questions.
We live in an extraordinary period of discovery in astronomy and astrophysics. Six Nobel Prizes have been awarded over the past decade alone for discoveries based on astronomical data (dark energy, gravitational waves, neutrino oscillations, the discovery of exoplanets, cosmology, and supermassive black holes). Many of the ambitious scientific visions of the 2010 New Worlds, New Horizons (Astro2010)1 decadal survey are being fulfilled, but momentum has only grown. We stand on the threshold of new endeavors that will transform not only our understanding of the universe and the processes and physical paradigms that govern it but also humanity’s place in it. This report of the Committee for a Decadal Survey on Astronomy and Astrophysics 2020 (Astro2020) proposes a broad, integrated plan for space- and ground-based astronomy and astrophysics for the decade 2023–2032.2 It also lays the foundations for further advances in the following decade. This is the seventh in a sequence of decadal survey studies in this field from the National Academies of Sciences, Engineering, and Medicine. This survey examines the program of record, providing advice on the major projects from prior surveys that are yet to be completed. It also lays out priorities for future investments driven by scientific opportunities. The recommendations in this report advance foundational activities that support the people who drive innovation and discovery, and that promote the technologies and tools needed to carry out the science. The report also recommends sustaining activities on a broad range of cost and time scales, as well as activities that enable future visionary projects by maturing them scientifically and technically. Last, the recommendations set in motion the construction of frontier facilities that will change the view and understanding of the cosmos. The survey is bounded by plausible budget scenarios based on briefings from the sponsoring agencies— the Department of Energy (DOE), the National Aeronautics and Space Administration (NASA), and the National Science Foundation (NSF). Within these bounds, the survey aims high, reflecting this time of great scientific promise and progress, with opportunities to pursue some of the most compelling scientific quests of our times.