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At least 1,261 records · Page 70

Using probability distribution function as a scaling approach to incorporate soil heterogeneity into biogeochemical models for greenhouse gas predictions (Final Technical Report)

The project investigated biogeochemical processes at terrestrial-aquatic interfaces (TAIs), focusing on soil microsite heterogeneity and its impact on greenhouse gas (GHG) fluxes. Using laboratory experiments, modeling, and data integration, researchers explored redox-driven microbial processes under fluctuating hydrological conditions. Key advancements included modifying the DAMM-GHG model to incorporateelectron acceptor availability and enhancing the AquaMEND model for improved microbial metabolism representation. Results highlighted microsite redox variability as a key driver of GHG fluxes, informing Earth system models. The project fostered interdisciplinary collaborations, student training, and the development of novel modeling frameworks to improve Earth'senergy budget.

54 ENVIRONMENTAL SCIENCES↗

Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM SciDAC) (Technical Final Report)

Runaway electrons can severely damage the plasma facing components on ITER during a major disruption and pose a major risk for tokamak fusion. It has been recognized that an adequate disruption mitigation system (DMS) is essential for the safe operation of ITER. The United States is responsible for the design and implementation of the disruption mitigation system on ITER, and in July 2016 the Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM) was launched by DOE, in a joint Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) collaboration. SCREAM was a comprehensive theory and simulation SciDAC center that provided physics guidance in the avoidance and mitigation of runaway electrons, and in tandem with domestic and international experiments, helped establish the qualitative and quantitative bases for safe operational scenarios and viable mitigation techniques. The SCREAM center assembled a national team of experts in runaway electron physics, tokamak disruptions, magnetohydrodynamic (MHD) simulation, and advanced algorithms and computing. The team combined advanced simulation and analysis capability facilitated by direct participation of ASCR SciDAC institutes with theoretical models and code development by FES scientists to focus on the runaway risk for ITER and tokamaks in general. The research scope was focussed on integrated simulations of kinetic runaway electrons, including MHD and fluid models of impurity transport, within a research plan guided by theory. The specific research tasks were (1) establish the fundamental physics of runaway generation, saturation, and dynamical evolution in a tokamak; (2) examine the critical path toward runaway avoidance; and (3) investigate the viability and effectiveness of the leading candidate schemes for runaway mitigation. In all three areas, members of the team carried out scoping studies that established the readiness for rapid and critical advances, especially in the deployment and further development of large-to extreme-scale simulation tools. Our multi-pronged computational approach included (1) relativistic Fokker-Planck solvers with discretization in phase space, (2) self-consistent particle-in-cell techniques, (3) particle-based Monte-Carlo, and (4) MHD-particle hybrid simulations. Cross-check between these different methods provided an additional means for verification and further bolstered the fidelity of our physics prediction. Validation against experimental results brings confidence to the predictive capability for ITER and frequently leads to new ideas for understanding and mitigating the thermal quench driven runaway electron phenomenon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High-Density, Low-Hysteresis Storage Using Hydrated Salts in Surface-Functionalized Hydrogels (Final Technical Report)

Nearly 70 years ago, Glauber’s salt was identified as a leading phase change material (PCM) in terms of its heat storage density (~2x paraffin), thermal conductivity (~1W/m·K), safety, availability and cost (~$\$$100/ton). However, the complex issues of supercooling and incongruent melting due to phase separation have prevented realization of the promise. The addition of thickeners and nucleating agents such as borax solve these issues but only over few cycles. This work aims to (a) resolve long-standing challenges with Glauber’s salt as a thermal storage material through a unique materials approach, (b) to characterize the new material’s properties that are relevant to performance and (c) to explore its incorporation into commercial water heaters. The materials concept involves encapsulating the salt in custom-designed, large-mesh hydrogels that enable breakthrough advances. Specifically, (1) the choice of mesh size and polymer chemistry control diffusion of salt/water and help to eliminate phase segregation. With the hydrogel itself occupying <10% volume, there is little loss in storage density compared to another encapsulation. (2) Specific nucleation centers that covalently tether to the hydrogel trigger heterogeneous nucleation, eliminating supercooling-associated hysteresis losses. The fact that they are spatially tethered, prevents the loss in performance over multiple freeze/thaw cycles (>100). We report extensive characterization of the hydrogel complex in terms of its storage density, freezing/melting temperature, cycling losses, rheological properties, aging and thermal conductivity. The novel material developed in this work is a significant advancement over the state-of-art. Finally, we investigate its potential as a thermal storage material for commercial/residential water heating and identify scenarios in which its deployment is advantageous.

25 ENERGY STORAGE↗

Energetic Electron Transport in Magnetized Plasma with Magnetic Islands (Final Technical Report)

The main scientific goal of this project was to investigate the interactions between energetic electrons and magnetic islands in magnetized plasmas from lab to space. The proposed plan of addressed the following specific objectives: (1) Determine if energetic electrons are trapped by magnetic islands. Specifically, test the hypothesis that energetic electrons are trapped near island O-points due to stable orbits and de-confined near island X-points due to X-point tangles. (2) Determine how electron transport changes with island width and location. Specifically, test the hypothesis that electrons are accelerated by contracting magnetic islands through a Fermi acceleration process. (3) Assess how electron transport is affected by island dynamics, including island rotation, bifurcation, and/or island overlap. Specifically, test the hypothesis that electrons are deconfined and possibly accelerated during island rotations, bifurcations, and overlap due to stochastization of the magnetic field lines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ARCADE Technical Pathway and Industry Impact

The Advanced Reactor Cyber Analysis and Development Environment (ARCADE) simplifies the evaluation and assessment of robustness factor and cyber resilience that support secure-by-design for advanced reactor nuclear power plants. In this manner, ARCADE supports risk-informed performance based (RIPB) evaluations of cybersecurity through its integration of plant physics with high-fidelity emulations of control systems. This cross domain approach enables comprehensive analysis of control system sensitivities, cyber-attack scenarios, and their consequences. ARCADE has been custom developed to meet the demands identified in Tier 1 of the Tiered Cyber Analysis (TCA) as outlined in NRC Draft Regulation Guide (RG) 5.96, which provides a RIPB cybersecurity approach for new reactors.

97 MATHEMATICS AND COMPUTING↗

Beyond Classical Searches: Enabling New Discovery Potential at the LHC (Final Technical Report)

The major goals of this project are: • 1. Employ Machine Learning to solve combinatorial problems in searches for new physics phenomena, with a focus on multijet signatures. • 2. Enable high-precision tracking for CMS at the HL-LHC by carrying out the Outer Tracker project for the Phase-II detector upgrade. Compared to the original proposal, the scope is reduced due to reduced resources in final award. In particular, the program of long-lived particle searches was descoped at that time due to lack of resources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Computationally Efficient Control Co-Design Optimization Framework with Mixed-Fidelity Fluid and Structure Analysis: OpenTurbineCoDe (OTCD) - ARPA-E ATLANTIS Phase I Project (Final Technical Report)

The goal of the Department of Energy (DOE) Advanced Research Projects Agency-Energy (ARPA-E) Aerodynamic Turbines Lighter and Afloat with Nautical Technologies and Integrated Servo-control (ATLANTIS) Program is to develop new technologies for floating offshore wind turbines, or wind farms, using the discipline of control co-design (CCD.) In this context, our goal is to develop a computationally efficient optimization framework for design of floating offshore wind turbines. Our specific aim is to utilize high-fidelity structural, aerodynamic, aero-structural tools, and to derive control-oriented reduced- or low-order models directly from the high-fidelity tools. We proposed a mixed-fidelity modeling approach which means that we are also using low- and mid-fidelity tools when necessary. This research is conducted by a multidisciplinary team consisting of Rutgers University, University of Michigan, Brigham Young University, and the National Renewable Energy Laboratory (NREL). The computational framework, called OpenTurbineCoDe, is designed to integrate, where possible, traditional structural, aerodynamic, aeroelastic models (e.g., OpenFAST) and advanced control algorithms with higher fidelity simulation tools including Reynolds-averaged Navier–Stokes (RANS) solvers, and three-dimensional structural finite element solvers. All the high-fidelity tools used in this research provide numerically exact gradients to facilitate both efficient optimization and local linearization for control implementation.

17 WIND ENERGY↗

Research in Neutrino Physics (Final Technical Report)

The goal of the experimental neutrino efforts at Louisiana State University is to measure the properties of neutrinos and to improve our understanding of neutrino interactions. In pursuit of this goal, the group will continue its Intensity Frontier work on the DUNE experiment at Fermilab and the T2K experiment at J-PARC, Japan. The current work is focused on understanding how neutrinos change flavor and on the possibility for asymmetry between neutrinos and anti-neutrinos. The effort on T2K includes physics measurements using the collected T2K data and preparation for the second phase T2K-II data with an increased beam power and the newly upgraded ND280 detector, featuring a novel 3D fine grained scintillation tracker with 4π acceptance and 3D readout. T2K is in a position to improve our understanding of neutrino nucleus interactions which continue to be one of the largest systematic uncertainties for neutrino oscillation measurements. On DUNE, the effort is on analyzing the data collected by the ProtoDUNE-SP prototype at CERN and on the design, installation, and commissioning of ProtoDUNE-II and later the DUNE Far Detector cold electronics. The final DUNE Module-1 components will be fully characterized by ProtoDUNE-II and the collected data will be used to improve and tune simulation and reconstruction algorithms, and to measure hadron scattering cross section, used to improve the modeling of neutrino final state interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Control of Energy Transport and Transduction in Photosynthetic Down-Conversion (Final Technical Report)

The research conducted under this contract focused on three areas related to control of energy transport and transduction in natural and synthetic light harvesting systems: (1) experimental and theoretical studies exploring the use of ultrafast laser pulse shaping to manipulate the initially excited states of multi-chromophore biological light harvesting networks and influence the early time energy transfer and electronic and vibrational relaxation pathways, (2) fundamental theoretical developments aimed at computing and analyzing the dynamics of excitations of complex heterogeneous environments and nano structures, and (3) joint experimental and theoretical design studies of artificial light harvesting materials exploring the influence of incorporating different types of organic layers in low dimensional lead halide perovskite materials on their hot carrier relaxation dynamics, and theoretical studies of the design of nano structured light harvesting antenna systems. These research projects supported the training of three theoretical and computational graduate students, one experimental graduate student, and one experimental post-doctoral researcher. The research has been published in seven peer reviewed papers and presented at several international meetings and workshops.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Implications of Aerosol Physicochemical Properties Including Ice Nucleation at ARM Mega Sites for Improved Understanding of Microphysical Atmospheric Cloud Processes (Final Technical Report)

Continuous, long-term measurements of atmospheric ice-nucleating particles (INPs) that influence clouds and precipitation were conducted to investigate the abundance and variability of ground-level INPs across the world. Three field campaigns were organized by the DOE Atmospheric Radiation Measurement (ARM) program, including Examining INP from Southern Great Plains (ExINP-SGP, 2019), Examining INP from Eastern North Atlantic (ExINP-ENA, 2020 – 2021), and Examining INP from North Slope of Alaska (ExINP-NSA, 2021 – 2024). Additional small-scale supporting field experiments were performed in 2019 and 2021 to collect airborne particulate matter at SGP for complementary laboratory characterization of the particles’ physical and chemical properties [Aerosol-Ice Formation Closure Pilot Study (AEROICESTUDY), 2019; ExINP-SGP II, 2021]. In these studies, the PI’s team measured INP concentration with both real-time and laboratory measurements in a wide range of freezing temperatures ($T$ from 0 °C to about –30 °C). This project elucidated spatial variability and seasonality in the abundance of immersion mode active INPs across three ARM sites using a single instrument, a Portable Ice Nucleation Experiment (PINE) chamber version 03 (PINE-03 hereafter). Collocated aerosol and meteorological data were analyzed to assess the correlation between ambient INP abundance, air mass origin region, and meteorological variability. Our findings suggest very high freezing efficiency of INPs at the NSA site across the measured temperatures (ice nucleation active surface site density, $n_s(T)$, $\approx 2 \times 10^{8} - 10^{10}$ m -2 for from –16 to –31 °C), which is a factor of 10 – 1000 times greater efficiency as compared to that found in the previous mid-latitude INP measurements in autumn using the same instrument; surprisingly high INP abundance ($\ge 1 \text{ L}^{-1}$ at –25 °C) for the examined temperatures throughout the year that PINE-03 did not measure at other sites; and high INP concentration in spring, possibly related to arctic haze episodes.

58 GEOSCIENCES↗

Particle Dark Matter Across Scales (Final Technical Report)

The research supported by this DOE grant investigated the nature of dark matter, particularly its particle properties and astrophysical manifestations, over the period of 2018 to 2024. The proposal focused on leveraging astrophysical probes, cosmological models, and high-resolution simulations to further our understanding of dark matter, its possible interactions, and the theoretical models that could explain its properties. This research directly contributes to the DOE's mission of exploring the fundamental constituents of the universe, advancing particle physics, and using cosmological and astrophysical observations to detect dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Support for the Core Research Activities and Studies of the Computer Science and Telecommunications Board (DE-SC0020446 Final Technical Report)

Supported the core operations of the National Academies' Computer Science and Telecommunications Board (CSTB). Helped support planning and conducting of board meetings, identification of priority topics in computer science and other areas of computing and communications technologies, and oversight for CSTB's portfolio of studies and convenings. Activities shaped and overseen included: a workshop on Al for scientific discovery; collaborative work with other Academies units on a study on foundational research gaps and future directions for digital twins; a study on current capabilities, future prospects, and governance of facial recognition technologies, a study on post- exascale computing; a study on fostering responsible computing research, collaborative work with other Academies units on automated research workflows for accelerated scientific discovery; a study on meeting federal cybersecurity workforce needs, and a study of the ecosystem driving information technology innovation.

97 MATHEMATICS AND COMPUTING↗

Tokamak Disruption Simulation (Final Technical Report)

The Tokamak Disruption Simulation collaboration was a SciDAC (Scientific Discovery through Advanced Computing) program led by Xianzhu Tang of the Los Alamos National Laboratory but with separate grants to each institution. I was the PI for Columbia University and the only person at Columbia directly funded by this SciDAC. Disruptions are a sudden loss of confinement in tokamaks, and a reliable method of preventing disruptions must be developed before tokamak fusion power plants become feasible. A related plasma confinement concept, the stellarator, is the only way known way of preventing disruptions with the required reliability. The largest devices, both existing and under construction, for confining plasmas for fusion using magnetic fields are tokamaks, so it is important to solve their disruption issues. The sudden loss of confinement in tokamaks can be from a bit of material falling into the plasma, which causes the plasma energy to be quickly lost by radiation, or by an instability causing a breakup of the confining surfaces formed by the magnetic field. This breakup can occur more than a million times faster than one would naively think possible. The sudden breakup of surfaces is called a fast magnetic reconnection and also results in a sudden cooling of the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Regulating Gas Transport in Molecularly Engineered Polymer Membranes (Final Technical Report)

Energy-efficient separation processes are essential for a wide range of applications ranging from clean fuels (e.g., hydrogen purification) and petroleum refining (e.g., natural gas processing) to water purification and carbon capture. Membrane-mediated separations have shown tremendous promise in providing high productivity and high separation efficiency at significantly lower energy consumption, e.g., up to 90% less energy cost than traditional thermally driven processes such as distillation. Polymeric membranes–the dominant separation membrane materials–have yet to reach their full potential due to their limitations in long-term durability (e.g., productivity loss over the period of their lifetime due to physical aging) or insufficient stability under harsh conditions (e.g., high temperature, chemically complex feeds). This research seeks to establish a new paradigm in polymer membrane material design by harnessing crosslinked model networks with well-defined yet finely tailorable microstructure to facilitate fast and selective gas transport and simultaneously enhance membrane stability. Unlike traditional randomly crosslinked polymers, which suffer from structural inconsistencies and consequently suboptimal gas separation performance, crosslinked model network membranes prepared via a precisely controlled end-linking process enables the creation of previously unattainable microstructure tunability, which, in turn, results in versatile crosslinked membranes with high separation performance that meet the needs of various challenging gas separations. Using model network framework as a fundamental tool by applying this concept in diverse polymer categories, this work has led to the development of various innovative crosslinked membrane structures such as unimodal, bimodal and clustered model networks. These advanced crosslinked polymer membranes not only demonstrate exceptional gas separation performance that significantly outperform existing randomly crosslinked membranes, but also possess excellent long-term durability and robust stability under complex operating conditions. From a fundamental perspective, results from this research provide critical mechanistic insights into gas separation in crosslinked polymer membranes, addressing key knowledge gaps and opening new avenues for membrane design to meet various separation needs. The new membrane materials produced from this research enable the use of polymeric membranes for high temperature gas separations, offering substantial energy and cost savings by eliminating the need for repeated cooling-heating cycles in industrial processes.

02 PETROLEUM↗

SiC Receiver/Reactor by Additive Manufacturing for Concentrated Solar Thermocatalysis with Thermal Energy Storage (Final Technical Report - Public)

The direct use of solar thermal energy provides opportunities for low-cost heating sources for a variety of applications. Ultra-high temperatures around 1000°C are high value and highly useful for energy-demanding industries. Many materials cannot withstand these conditions. In the area of Sustainable Chemicals, further limitations on material stability exist. Combining state-of-the-art materials with new designs provides a promising pathway for harvesting solar thermal energy and performing high temperature chemical processes. However, conventional manufacturing limits the potential for design flexibility. In this project, Additive Manufacturing was combined with advanced materials and new chemical reactor designs. In addition, 24/7 energy is necessary for chemical processing, and designs for ultra-high temperature thermal storage were devised. Specifically, preliminary design of a novel solar thermal receiver was developed in this project and designed to work with thermocatalytic reactors for producing sustainable chemicals and fuels. An ultra-high temperature particle storage system and heat exchangers were proposed to transport ultra-hot air as thermal fluid for the system. On a broader scale, this system could be used to tap solar thermal energy for a centralized facility with capability of transferring that heat to various segments at a full range of temperatures to 1000°C. The project pushed the temperature boundaries past those in current use, and Additive Manufacturing was envisaged for fabricating the receiver to meet requirements of extreme environments. An extensive analysis of silicon carbide additive manufacturing was performed to compare the thermal and mechanical properties of complex geometries compared to conventional material and those manufactured via other methods. The Additive Manufacturing via Binder-Jet printing was optimized and characterized to provide high quality and reproducible components capable of withstanding the proposed extreme environments. The designs for the concentrating solar thermal cavity with ultra-hot air thermal fluid showed high performance in simulations, attributable to the complex optimized geometries of the 3D printed systems. The bright future of Additive Manufacturing with advanced materials developments should provide more options and even higher quality as the technology further develops. Current costs for Additive Manufacturing of advanced ceramics is relatively low, however post-processing of the materials for extreme environments is currently high. There is little industrial-scale infrastructure for these, but it is growing as niche applications become more mainstream. The results of the project can be translated into similar extreme environments for concentrating solar thermal energy as well as its integration with ultra-hot air thermal fluids. A number of industries that require ultra-high temperatures need to electrify or otherwise decarbonize for climate goals, and this project showed that theoretically there is a pathway to do so with direct concentrated solar thermal power.

10 SYNTHETIC FUELS↗

Direct Air Capture and Electromicrobial Production (DAC-EMP) (Final Technical Report for ARPA-E Project)

The collaborative effort of UC Berkeley and GE Vernova (formerly GE Research) aimed to develop an integrated, three-step process to directly capture and convert carbon dioxide (CO 2 ) from ambient air into butanol, a platform molecule for diesel and jet fuels. This new process is intended to address the unmet need for carbon-neutral drop-in substitutes for fossil gasoline, which would substantially reduce the carbon footprint of the transportation sector without requiring significant changes to the nation’s transportation infrastructure. The U.S. alone consumes ~120 billion gallons of gasoline per year, and the use of fossil fuels in transportation accounts for ~30% of U.S. greenhouse gas emissions, a major contribution to the ongoing climate crisis. A successful replacement fuel must therefore be produced in a process that has low carbon emissions over its life cycle while demonstrating both scalability and economic competitiveness. The proposed system is tailorable to a wide range of applications and can establish a viable approach for direct capture and conversion of CO 2 to value-added products with much lower land use compared to a biotechnological process relying on corn-derived glucose.

09 BIOMASS FUELS↗

Novel experimental probes of QCD in SIDIS and e + e - annihilation (Final Technical Report)

The research addressed with this award seeks to advance our understanding of the structure and dynamics underlying the properties of visible matter. In our current understanding the nucleons (protons and neutrons) are not fundamental but are comprised of quarks and gluons, which are collectively called partons. A static quark picture fails to explain the properties of the nucleons, such as their mass and intrinsic spin, which are thought to emerge dynamically from the quark-gluon interactions via the strong force. In this work, novel observables employing correlations of particles produced in the scattering of high energy electrons off protons at the CLAS12 experiment at Jefferson Lab were analyzed to probe quark-gluon interactions. The ultimate goal of this line of inquiry is to be able to describe the properties of protons and neutrons from first principles, similar to how studying the hydrogen atom has led to the formulation of the theory of Quantum Electrodynamics. Because quarks cannot be observed directly but only as part of more complex composite particles, a smaller, complimentary part of this work was the analysis of particle production in electron-positron annihilation at the Belle II experiment to understand the production of particles from initial quarks. This takes advantage of the fact that in e + e - annihilation the initial quark dynamics is known, unlike in the scattering of nucleons. Several new applications using Machine Learning algorithms for event tagging and reconstruction to support this program were developed as part of this award. In addition, we had a significant role in the development of the physics program for the future Electron-Ion Collider, which is a new collider to be build in the US within the next decade.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗