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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Communicate and Fuse: How Filamentous Fungi Establish and Maintain an Interconnected Mycelial Network

Cell-to-cell communication and cell fusion are fundamental biological processes across the tree of life. Survival is often dependent upon being able to identify nearby individuals and respond appropriately. Communication between genetically different individuals allows for the identification of potential mating partners, symbionts, prey, or predators. In contrast, communication between genetically similar (or identical) individuals is important for mediating the development of multicellular organisms or for coordinating density-dependent behaviors (i.e., quorum sensing). This review describes the molecular and genetic mechanisms that mediate cell-to-cell communication and cell fusion between cells of Ascomycete filamentous fungi, with a focus on Neurospora crassa . Filamentous fungi exist as a multicellular, multinuclear network of hyphae, and communication-mediated cell fusion is an important aspect of colony development at each stage of the life cycle. Asexual spore germination occurs in a density-dependent manner. Germinated spores (germlings) avoid cells that are genetically different at specific loci, while chemotropically engaging with cells that share identity at these recognition loci. Germlings with genetic identity at recognition loci undergo cell fusion when in close proximity, a fitness attribute that contributes to more rapid colony establishment. Communication and cell fusion also occur between hyphae in a colony, which are important for reinforcing colony architecture and supporting the development of complex structures such as aerial hyphae and sexual reproductive structures. Over 70 genes have been identified in filamentous fungi (primarily N. crassa ) that are involved in kind recognition, chemotropic interactions, and cell fusion. While the hypothetical signal(s) and receptor(s) remain to be described, a dynamic molecular signaling network that regulates cell-cell interactions has been revealed, including two conserved MAP-Kinase cascades, a conserved STRIPAK complex, transcription factors, a NOX complex involved in the generation of reactive oxygen species, cell-integrity sensors, actin, components of the secretory pathway, and several other proteins. Together these pathways facilitate the integration of extracellular signals, direct polarized growth, and initiate a transcriptional program that reinforces signaling and prepares cells for downstream processes, such as membrane merger, cell fusion and adaptation to heterokaryon formation.

Microbiology↗
DOE OSTI2023

IM3 GO WEST Parameter Search Dataset

GO WEST is an open-source power grid modeling framework for U.S. Western Interconnection, which allows users to tailor the model depending on their research study and science questions. It is developed to address weather and water dynamics, and associated vulnerabilities in this bulk power system. It covers 28 balancing authorities (BA) and 12 states in U.S. Western Interconnection. GO WEST allows users to select different number of nodes and come up with a simplified network by utilizing 10,000 nodal topology of U.S. Western Interconnection created by Texas A&M University. Users can try and select different number of nodes, mathematical formulations (linear programming vs. mixed-integer linear programming), transmission line limit scaling factors, and hurdle rate scaling factors. GO WEST offers a unit commitment and economic dispatch (UC/ED) module to simulate grid operations on an hourly scale. In this sense, users can calibrate and validate their model versions by comparing model outputs to historical datasets. Therefore, GO WEST can help researchers to strike a balance between model fidelity (i.e. accuracy) and computational complexity (i.e. runtime). This dataset includes model inputs and outputs from 600 model versions for each 2019, 2020, and 2021. The folder naming convention is as follows: Exp{Number of Nodes}_{Mathematical Formulation}_{Transmission Line Limit Scaling Factor in MW}_{Hurdle Rate Scaling Factor in %}_{Year}. Linear programming is designated with "simple" label whereas mixed-integer linear programming is designated with "coal" label. For example, "Exp100_simple_1000_50_2019" folder contains inputs and outputs from 2019 model version with 100 nodes, linear programming, +1000 MW transmission line limit scaling factor, and +50% hurdle rate scaling factor. GO WEST GitHub repository hosts all raw datasets, processing scripts, and model scripts. Please refer to the README file for a detailed description of the included files.

Economics↗
DOE OSTI2019

Assessing the benefits of capacity payment, feed‐in‐tariff and time‐of‐use programme on long‐term renewable energy sources integration

Recently, demand response programmes (DRPs) have captured great attention in electric power systems. DRPs such as time‐of‐use (ToU) programme can be efficiently employed in the power system planning to reform the long‐term behaviour of the load demands. The composite generation expansion planning (GEP) and transmission expansion planning (TEP) known as composite GEP–TEP is of high significance in power systems to meet the future load demand of the system and also integrate renewable energy sources (RESs). In this regard, this study presents a dynamic optimisation framework for the composite GEP–TEP problem taking into consideration the ToU programme and also, the incentive‐based and supportive programmes. Accordingly, the performances of the capacity payment and feed‐in tariff mechanisms and the ToU programme in integrating RESs and reducing the total cost have been evaluated in this study. The problem has been formulated and solved as a standard two‐stage mixed‐integer linear programming model aimed at minimising the total costs. In this model, the ToU programme is applied and the results are fed into the expansion planning problem as the input. The proposed framework is simulated on the IEEE Reliability Test System to verify the effectiveness of the model and discuss the results obtained from implementing the mentioned mechanisms to support the RESs integration.

Javadi, Mohammad Sadegh↗
DOE OSTI2017

CO 2 Capture by Cold Membrane Operation with Actual Power Plant Flue Gas

The main objective of the project was to develop a post-combustion CO 2 capture process based on the hybrid cold temperature membrane operation. The CO 2 in the flue gas from coal fired power plant is pre-concentrated to >60% CO 2 in the first stage membrane operation followed by further liquefaction of permeate stream to achieve >99% CO 2 purity. The aim of the project was based on DOE program goal of 90% CO 2 capture with >95% CO 2 purity from Pulverized Coal (PC) fired power plants with $40/tonne of carbon capture cost by 2025. The project moves the technology from TRL 4 to TRL 5. The project involved optimization of Air Liquide commercial 12” PI-1 bundle to improve the bundle productivity by >30% compared to the previous baseline (DE-FE0004278) using computational fluid dynamics (CFD) modeling and bundle testing with synthetic flue gas at 0.1 MWe bench scale skid located at Delaware Research and Technology Center (DRTC). In parallel, the next generation polyimide based novel PI-2 membrane was developed with 10 times CO 2 permeance compared to the commercial PI-1 membrane. The novel PI-2 membrane was scaled from mini-permeator to 1” permeator and 1” bundle for testing. Bundle development was conducted with a Development Spin Unit (DSU) installed at MEDAL. Air Liquide’s cold membrane technology was demonstrated with real coal fired flue gas at the National Carbon Capture Center (NCCC) with a 0.3 MWe field-test unit (FTU). The FTU was designed to incorporate testing of two PI-1 commercial membrane bundles (12” or 6” diameter) in parallel or series. A slip stream was sent to the next generation PI-2 membrane for testing with real flue gas. The system exceeded performance targets with stable PI-1 membrane operation for over 500 hours of single bundle, steady state testing. The 12” PI-1 bundle exceeded the productivity target by achieving ~600 Nm3/hr, where the target was set at ~455 Nm3/hr at 90% capture rate. The cost of 90% CO 2 capture from a 550 MWe net coal power plant was estimated between 40 and $45/tonne. A 6” PI-1 bundle exhibited superior bundle performance compared to the 12” PI-1 bundle. However, the carbon capture cost was not lower with the 6” PI-1 bundle due to the higher bundle installed cost. A 1” PI-1 bundle was tested to compare bundles with different length / diameter ratios. This bundle exhibited the lowest performance due to the different fiber winding pattern and increased bundle non-ideality. Several long-term and parametric tests were conducted with 3,200 hours of total run-time at NCCC. Finally, the new PI-2 membrane fiber was tested at a small scale (1” modules) in real flue gas and exhibited up to 10 times the CO 2 permeance and slightly lower CO 2 /N 2 selectivity as the commercial PI-1 fiber. This corresponded to a projected 4 - 5 times increase in the productivity per bundle and a potential cost reduction of $3/tonne for CO2 capture, as compared with PI-1. An analytical campaign was conducted to trace different impurities such as NOx, mercury, Arsenic, Selenium in gas and liquid samples through the carbon capture system. An Environmental, Health and Safety (EH&S) analysis was completed to estimate emissions from a 550 MWe net power plant with carbon capture using cold membrane. A preliminary design and cost analysis was completed for 550 tpd (~25 MWe) plant to assess the capital investment and carbon capture cost for PI-1 and PI-2 membrane solutions from coal fired flue gas. A comparison was made with an amine based solution with significant cost advantage for the membrane at this scale. Additional preliminary design and cost analysis was completed between coal, natural gas and SMR flue gas for carbon capture at 550 tpd (~25 MWe) plant.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Automatically parallelizing batch inference on deep neural networks using Fiats and Fortran 2023 `do concurrent`

This paper introduces novel programming strategies that leverage features of the Fortran 2023 standard of the International Standards Organization (ISO) to automatically parallelize computations on deep neural networks. The paper focuses on the interplay of object-oriented, parallel, and functional programming paradigms in the Fiats deep learning library. We demonstrate how several infrequently used language features play a role in enabling efficient, parallel execution. Specifically, the ability to explicitly declare that a procedure is pure facilitates inference in the context of the language’s loop-parallelism construct `do concurrent`. Also, explicitly prohibiting the overriding of a parent type’s type-bound procedures eliminates the need for dynamic dispatch in performance-critical code. Finally, this paper uses batch inference calculations on a neural network surrogate for atmospheric aerosol dynamics to demonstrate that LLVM Flang compiler’s automatic parallelization of `do concurrent` achieves roughly the same performance and scalability as achieved by OpenMP compiler directives. We also demonstrate that double-precision inference costs 37–72% longer runtime than default-real precision with most values in the range 57-60%.

Rouson, Damian↗
DOE OSTI2017

Formulation and Validation of an Efficient Computational Model for a Dilute, Settling Suspension Undergoing Rotational Mixing

Designing processing equipment for the mixing of settling suspensions is a challenging problem. Achieving low-cost mixing is especially difficult for the application of slowly reacting suspended solids because the cost of impeller power consumption becomes quite high due to the long reaction times (batch mode) or due to large-volume reactors (continuous mode). Further, the usual scale-up metrics for mixing, e.g., constant tip speed and constant power per volume, do not apply well for mixing of suspensions. As an alternative, computational fluid dynamics (CFD) can be useful for analyzing mixing at multiple scales and determining appropriate mixer designs and operating parameters. We developed a mixture model to describe the hydrodynamics of a settling cellulose suspension. The suspension motion is represented as a single velocity field in a computationally efficient Eulerian framework. The solids are represented by a scalar volume-fraction field that undergoes transport due to particle diffusion, settling, fluid advection, and shear stress. A settling model and a viscosity model, both functions of volume fraction, were selected to fit experimental settling and viscosity data, respectively. Simulations were performed with the open-source Nek5000 CFD program, which is based on the high-order spectral-finite-element method. Simulations were performed for the cellulose suspension undergoing mixing in a laboratory-scale vane mixer. The settled-bed heights predicted by the simulations were in semi-quantitative agreement with experimental observations. Further, the simulation results were in quantitative agreement with experimentally obtained torque and mixing-rate data, including a characteristic torque bifurcation. In future work, we plan to couple this CFD model with a reaction-kinetics model for the enzymatic digestion of cellulose, allowing us to predict enzymatic digestion performance for various mixing intensities and novel reactor designs.

09 BIOMASS FUELS↗
DOE OSTI2015

SU-E-T-82: A Study On Enhanced Dynamic Wedge (EDW) Dosimetry Using 2D Seven29 Ion Chamber Array Detector

Purpose: To study the dosimetric properties of Enhanced Dynamic Wedge (EDW) using PTW Seven29 ion chamber array Methods: PTW Seven29 ion chamber array and Solid Water phantoms for different depths were used for the study. The study was carried out in Varian Clinac ix with photon energies, 6MV & 15MV. Primarily the solid water phantoms with the 2D array were scanned using a CT scanner (GE Optima 580) at different depths. These scanned images were used for EDW planning in an Eclipse treatment planning system (version 10). Planning was done for different wedge angles and for different depths for 6MV & 15MV. A dose of 100 CGy was delivered in each cases. For each delivery, calculated the Monitoring Unit (MU) required. Same set-up was created before delivering the plans in Varian Clinac-ix. For each clinically relevant depth and for different wedge angles, the same MU was delivered as calculated. Different wedged dose distributions where reconstructed from the measured 2D array data using the in-house developed excel program. Results: It is observed that the shoulder like region in the profile which reduces as depth increases. For the same depth and energy, the percentage difference between planned and measured dose is lesser than 3%. For smaller wedge angles, the percentage difference is found to be greater than 3% for the largest wedge angle. Standard deviation between measured doses at shoulder region for planned and measured profiles is 0.08 and 0.02 respectively. Standard deviations between planned and measured wedge factors for different depths (2.5cm, 5cm, 10cm, and 15cm) are (0.0021, 0.0007, 0.0050, 0.0001) for 6MV and (0.0024, 0.0191, 0.0013, 0.0005) for 15MV respectively. Conclusion: The 2D Seven29 ion chamber array is a good tool for the Enhanced Dynamic Wedge (EDW) dosimetry.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Robust planning of dynamic wireless charging infrastructure for battery electric buses

Battery electric buses with zero tailpipe emissions have great potential in improving environmental sustainability and livability of urban areas. However, the problems of high cost and limited range associated with on-board batteries have substantially limited the popularity of battery electric buses. The technology of dynamic wireless power transfer (DWPT), which provides bus operators with the ability to charge buses while in motion, may be able to effectively alleviate the drawbacks of electric buses. In this paper, we address the problem of simultaneously selecting the optimal location of the DWPT facilities and designing the optimal battery sizes of electric buses for a DWPT electric bus system. The problem is first constructed as a deterministic model in which the uncertainty of energy consumption and travel time of electric buses is neglected. The methodology of robust optimization (RO) is then adopted to address the uncertainty of energy consumption and travel time. The affinely adjustable robust counterpart (AARC) of the deterministic model is developed, and its equivalent tractable mathematical programming is derived. Both the deterministic model and the robust model are demonstrated with a real-world bus system. The results of our study demonstrate that the proposed deterministic model can effectively determine the allocation of DWPT facilities and the battery sizes of electric buses for a DWPT electric bus system; and the robust model can further provide optimal designs that are robust against the uncertainty of energy consumption and travel time for electric buses.

25 ENERGY STORAGE↗
DOE OSTI2021

Building Neutron Scattering Infrastructure in Louisiana for Advanced Materials (Final Report)

The main objective of the Louisiana Consortium for Neutron Scattering (LaCNS) is to build a major neutron scattering infrastructure capable of treating both soft and hard materials. The goal is to create a sustainable effort having the quality, breadth, and depth necessary to produce competitive proposals including collaborative and center type proposals. Our scientific aim is to understand the role of coupling in emergent complex materials and its impact on the structure/property relationship and to explore how to tune the key couplings to guide the design of materials with the desired properties. This naturally includes building a base of users of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) in Louisiana; to train highly talented graduate and post-doctoral students in synthesis, neutron scattering, and simulation and modeling techniques, thereby helping to produce the next generation of scientist who use neutron scattering techniques as a crucial part of their research. The goal of our hard matter program is to understand the interplay between spin, charge, orbital, and lattice degrees of freedom in carefully selected complex materials. We have made considerable progress on number of complex systems including the oxide Sr3(Ru1-xMnx)2O7 where short-range magnetic ordering with anisotropic spin texture is initiated at the metal-insulator transition that clearly indicates a strong spin-charge coupling. Another critical area is in quantum materials. For example, in the topological semimetal BaMnSb2, we found a 3D canted antiferromagnetic Weyl semimetal with a 2D electronic structure and a nontrivial Berry phase. In addition, in the hexagonal chiral Mn1/3NbS2 system, we found soliton/soliton and soliton/antisoliton domain walls where the application of small fields or small currents can be used to control nanoscopic magnetic domains where the control of domain walls is crucially important for information storage. In addition, chemical transformation investigations were performed on the VISION instrument at Spallation Neutron Source (SNS). The soft matter effort was focused on understanding the role of non-covalent interactions on the structure and dynamics of fluid-based soft matter. One key focus was on sequence-defined (SD) amphiphilic peptoid polymers that allow encoding of molecular interactions and thereby systematic investigations of how charge directs the solution self-assembly of amphiphilic polymers in water. Another important area was on the dynamics of lipids self-assembled into membranes for exploring the permeability and mechanical using both neutron spin echo (NSE) spectroscopy and quasielastic neutron scattering (QENS) to distinguished between viscoelasticity and permeability at the molecular scale. Overall, the LaCNS project was quite successful, generating 145 publications and 245 presentations. Our graduate and post-doctoral students were well trained resulting in positions in national laboratories (Oak Ridge National Laboratory (ORNL), Argonne National Laboratory and Los Alamos National Laboratory), major research universities, and industry. We also developed a uniaxial pressure cell along with ORNL for SNS. A critical goal of this project was to establish a foundation for competing nationally in federally funded research programs. To this end, we were quite successful in generating over twenty-two federally and non-federally funded grants including awards from NSF, DOE, and DOD, and two early career awards. Equally important, we were able to secure a key major piece of instrumentation via a large ARO grant for a state-of-the-art electron microscope.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

By including a fraction of exact exchange (EXX), hybrid functionals reduce the self-interaction error in semilocal density functional theory (DFT) and thereby furnish a more accurate and reliable description of the underlying electronic structure in systems throughout biology, chemistry, physics, and materials science. However, the high computational cost associated with the evaluation of all required EXX quantities has limited the applicability of hybrid DFT in the treatment of large molecules and complex condensed-phase materials. To overcome this limitation, we describe a linear-scaling approach that utilizes a local representation of the occupied orbitals (e.g., maximally localized Wannier functions (MLWFs)) to exploit the sparsity in the real-space evaluation of the quantum mechanical exchange interaction in finite-gap systems. In this work, we present a detailed description of the theoretical and algorithmic advances required to perform MLWF-based ab initio molecular dynamics (AIMD) simulations of large-scale condensed-phase systems of interest at the hybrid DFT level. We focus our theoretical discussion on the integration of this approach into the framework of Car–Parrinello AIMD, and highlight the central role played by the MLWF-product potential (i.e., the solution of Poisson’s equation for each corresponding MLWF-product density) in the evaluation of the EXX energy and wave function forces. We then provide a comprehensive description of the exx algorithm implemented in the open-source Quantum ESPRESSO program, which employs a hybrid MPI/OpenMP parallelization scheme to efficiently utilize the high-performance computing (HPC) resources available on current- and next-generation supercomputer architectures. Furthermore, this is followed by a critical assessment of the accuracy and parallel performance (e.g., strong and weak scaling) of this approach when AIMD simulations of liquid water are performed in the canonical (NVT) ensemble. With access to HPC resources, we demonstrate that exx enables hybrid DFT-based AIMD simulations of condensed-phase systems containing 500–1000 atoms (e.g., (H₂O)₂₅₆) with a wall time cost that is comparable to that of semilocal DFT. In doing so, exx takes us one step closer to routinely performing AIMD simulations of complex and large-scale condensed-phase systems for sufficiently long time scales at the hybrid DFT level of theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Geometry and Dynamics in Heavy-Ion Collisions Seen by the Femtoscopy in the STAR Experiment

The geometry and the dynamics of the particle-emitting source in high-energy heavy-ion collisions can be inferred via femtoscopy measurement. Two-particle correlations at small relative momentum exploit quantum statistics and the final-state interactions which allow one to study the space-time characteristics of the source of the order of 10-15 m and 10-23 s, respectively. The RHIC Beam Energy Scan (BES) program covers a significant part of the QCD Phase Diagram using collisions of Au nuclei at eight beam energies in the range from 7.7 to 200 GeV, covering the baryonrich region, which can be studied via baryon femtoscopy. Thus, two-baryon measurements together with two-meson and meson-baryon correlations provide complementary information about the source characteristics. In this proceedings, the STAR preliminary results on femtoscopic observables of various particle combinations of protons, pions and kaons from Au+Au collisions at BES energies are presented. Determining how the properties of the particle-emitting source depend on collision energy is an important step towards understanding the physics of heavy-ion collisions. The BES program provides the possibility to study the energy dependence of the source sizes for various collision centralities. In addition to the source size, the measurements of non-identical particle combinations provide information about space-time asymmetries in emission process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A Task Based Approach for Co-Scheduling Ensemble Workloads on Heterogeneous Nodes

Scientific workflows consist of multiple, connected applications, with data and results flowing from one to another in a pipeline. Traditionally, such workflows are executed in sequential order, storing intermediate data in storage disks. Co-scheduling application workflows concurrently on the same compute nodes would greatly reduce the cost of moving data to/from storage and allow real-time analysis of intermediate results. Nevertheless, most parallel programming runtimes do not allow seamless integration of various applications in a scientific workflow, in part due to the complexity of managing data and resources. The situation is even more complicated for heterogeneous systems. In this work we extend the Minos Computing Library (MCL) runtime to accelerate pipe-lined and parallel workloads where multiple applications are running in the same system. MCL’s asynchronous task library and runtime dynamically manages resources to allow co-scheduling of multiple processes sharing heterogeneous resources. In addition, we design a custom ex- tension of the Open Compute Language (OpenCL) to enable multiple processes to share device memory. We enable MCL to coordinate these shared buffers to allow for easy, fast data sharing between applications. Using malleable micro-benchmarks and two application workflows that combine scientific simulation and AI-based analysis, we show that our method outperforms traditional approaches.

Index Terms—Parallel systems, Scheduling and Task ↗
DOE OSTI2018

Impact of Building-Level Motor Protection on Power System Transient Behaviors

Transmission and distribution system level protection strategies have been extensively investigated to advise better coordination of physical protection devices. A diversity of functional motors with dedicated protection schemes are popularized in increasing number of commercial, residential and industrial buildings. This paper focuses on implementing several most popular protection schemes on Eletro-Magnetic Transient Program (EMTP) simulation for three-phase and single-phase induction motors that exist in commercial buildings connected to typical distribution feeders. Voltage depressions are played in at the head of the feeder fully loaded with functional induction motors to investigate the behaviors of single-phase motor stalling, the action of motor protection and reconnection, and the impacts of device-level protection on system-level dynamics. Several distribution feeders are represented in standard IEEE 39-bus transmission system to simulate fault-induced delayed voltage recovery (FIDVR) and explore mitigation strategies by optimally configuring the building-level motor protection settings.

Liu, Yuan↗
DOE OSTI2023

Demographic data of Sedum lanceolatum from 2013 to 2014 under a climate manipulation experiment

Demographic data of Sedum lanceolatum under a climate manipulation experiment (heating and watering). Dataset includes one .csv with demographic data for 232 individuals monitored over 2013-2014 which was used, in part, to draw conclusions in "Elevation effects on vital rate sensitivities generate variation in neighbor effects on population growth rate in Sedum lanceolatum" by Herzog et al. (in review). All data was collected under a watering and warming experiment as part of the Alpine Treeline Warming Experiment at Niwot Ridge, Colorado, USA. There are two main data file formats in this archive: comma-separated values (.csv) which can be read using any simple text editor program, such as TextEdit (Mac) and Notepad (Windows). The .pdf data user’s guide can be read using Adobe Acrobat Reader, or any other compatible software.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A development of wide dynamic-range halo monitor for 8 GeV proton beams at FNAL

The FNAL accelerator complex has been upgrading in increasing beam intensity and beam quality. A new beam halo diagnostic device is required in the beam transport line between booster and Recycler. For this purpose, it was decided to introduce the wide dynamic range monitor technique that was developed in 2012 and has been in operation at the J-PARC beam transport line. The device is a two-dimensional beam profile monitor, and it has a dynamic range of approximately six digits of magnitude by using of Optical Transition Radiation and fluorescence screens. Eliminating harmful beam halos is the most important technique for high-intensity proton accelerators. Therefore, beam halo diagnosis is indispensable and becomes more and more important. New FNAL device has been manufactured in a collaboration between J-PARC and FNAL as a part of U.S.-Japan Science and Technology Cooperation Program in High Energy Physics. The equipment will be manufactured at J-PARC and will be shipped to FNAL in 2025.We designed the device to satisfy FNAL specifications: the beam energy, intensity, and size. Currently, most of the equipments are under construction. The large-aperture optical system has been completed and its optical characteristics are being evaluated at J-PARC. We have been also investigating measurement methods corresponding to FNAL bunch trains. This paper reports on the current status of these developments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Atomistic Materials Modeling of High-Pressure Hydrogen Interactions in Ethylene Propylene Diene Monomer (EPDM) Rubber

Elastomeric rubbers serve a vital role as sealing materials in the hydrogen storage and transport infrastructure. With applications including O-rings and hose-liners, these components are exposed to pressurized hydrogen at a range of temperatures, cycling rates, and pressure extremes. Cyclic (de)pressurization is known to degrade these materials through the process of cavitation. This readily visible failure mode occurs as a fracture or rupture of the material and is due to the oversaturated gas localizing to form gas bubbles. Computational modeling in the Hydrogen Materials Compatibility Program (H-Mat), co-led by Sandia National Laboratories and Pacific Northwest National Laboratory, employs multi-scale simulation efforts to build a predictive understanding of hydrogen-induced damage in materials. Modeling efforts within the project aim to provide insight into how to formulate materials that are less sensitive to high-pressure hydrogen-induced failure. In this document, we summarize results from atomistic molecular dynamics simulations, which make predictive assessments of the effects of compositional variations in the commonly used elastomer, ethylene propylene diene monomer (EPDM).

08 HYDROGEN↗
DOE OSTI2024

Modeling Approach for the Aluminum-clad Dry Storage Pilot using HFIR Fuel

To confirm that the dry storage of aluminum-clad research reactor spent nuclear fuel (ASNF) will remain within the safety envelope after applied drying schemes and that the resulting evolution of the gas space composition, temperature, and pressure conditions are understood, a dry storage pilot project is being established. The pilot will incorporate an instrumented lid for discrete interval or for on-demand gas composition and temperature monitoring of two DOE Standard Canisters (DSCs) loaded with three High Flux Isotope Reactor (HFIR) inner cores per DSC. Each DSC would be subjected to a separate alternative candidate drying scheme. Canisters will undergo 1 to 5 years of monitoring, including internal temperature and gas sampling to track pressure and composition changes. This report outlines the approach for modeling the ASNF-in-canister behavior in terms of evolving gas space conditions for the ASNF dry storage pilot using HFIR fuel. The ASNF has an adherent surface oxyhydroxide layer comprised of boehmite/bayerite that generates hydrogen when subjected to irradiation. Three-dimensional multi-physics computational fluid dynamics simulations will be executed to compute the thermal field within the DSC and provide inputs to a chemical model employed to compute pressure buildup as hydrogen is generated in the system. Implemented in Cantera, the chemical model solves gas phase and aluminum oxyhydroxide surface-mediated radiolysis reactions. Gas phase reactions are sourced from Wittman and Hanson (2015), whereas surface-mediated reactions are incorporated by fitting experimental data using an optimization algorithm (Abboud, 2023). Water radiolysis reactions from Wren and Ball (2001) are adopted with modifications as described in Abboud (2023c). Understanding the effect of the hydrogen buildup over time is important for long-term storage safety considerations. Modeling results will include the canister pressure, temperature, and composition evolution from the initial helium backfill with the addition of radiolytically-evolved chemical species (e.g., hydrogen and oxygen). The specific HFIR cores for the pilot program have not yet been selected, and the overall design is still in development. The CFD-chemical model used for this work will be based on prior models with necessary updates to allow for improved accuracy and efficiency. The experimental data obtained from the HFIR demonstration will be used to improve and validate the computational models to predict the ASNF-in-canister behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Generalized symmetries, gravity, and the swampland

Generalized global symmetries are a common feature of many quantum field theories decoupled from gravity. By contrast, in quantum gravity/the Swampland program, it is widely expected that all global symmetries are either gauged or broken, and this breaking is in turn related to the expected completeness of the spectrum of charged states in quantum gravity. We investigate the fate of such symmetries in the context of 7D and 5D vacua realized by compact Calabi-Yau spaces with localized singularities in M theory. We explicitly show how gravitational backgrounds support additional dynamical degrees of freedom which trivialize (i.e., “break”) the higher symmetries of the local geometric models. Local compatibility conditions across these different sectors lead to gluing conditions for gauging higher-form and (in the 5D case) higher-group symmetries. This also leads to a preferred global structure of the gauge group and higher-form gauge symmetries. In cases based on a genus-one fibered Calabi-Yau space, we also get an F-theory model in one higher dimension with corresponding constraints on the global form of the gauge group. Published by the American Physical Society 2024

Astronomy & Astrophysics↗