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DOE OSTI2023

Batched Sparse Linear Algebra (Final Report for Subcontract B648960)

This report finalizes design specifications for developing batched kernels for small tensor operations for unassembled matrix-free iterative solvers, batched solvers for partially assembled operators, and batched solvers with support for various sparse formats. The outcome of the project milestones is a set of interfaces to Batched Sparse LA solvers running on hardware accelerators for use in ECP Libraries and Applications. It is part of the development of sparse batched kernels, solvers/preconditioners as well as creating interoperability in xSDK libraries with sparse and dense batched functions to benefit ECP applications. The participants included representatives from ECP libraries (not limited to the xSDK project), applications, and vendors (AMD, Intel, and NVIDIA). Batched sparse linear algebra solvers form the new frontier for algorithmic development and performance engineering. Many applications (ECP and non-ECP alike) require simultaneous solutions of small linear systems of equations that are structurally sparse. To move towards high hardware utilization, it is important to provide these applications with appropriate interfaces to efficient batched sparse solvers running on modern hardware accelerators. We present interface designs in use by HPC software libraries supporting batched sparse linear algebra and the development of sparse batched kernel codes for solvers and preconditioners. We also address the potential interoperability opportunities to keep the software portable between the major hardware accelerators from AMD, Intel, and NVIDIA. The presented interface specifications includes batched band, sparse iterative, and sparse direct solvers. This report summarizes progress in Kokkos Kernels and the xSDK libraries MAGMA, Ginkgo, hypre, SUNDIALS, and SuperLU_dist.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1989

The Lunar Configurable Array Telescope (LCAT)

The desire for a much larger space telescope than HST by astronomers is clearly demonstrated by the attendance at this Workshop. The reality is that a much larger space telescope than the HST collides with cost scaling reality. Coupled with this reality is the fact that any multi-billion dollar science project must have broad-based support from the science community and solid political support at both Presidential and Congressional levels. The HST successor is certainly in the same multi-billion dollar class as the Super Collider of the physics community, a project that has finally achieved the broad support base necessary for funding to follow. Advocacy of a bigger HST on the general grounds that 'bigger is better' will not be sufficient. A new concept needs to be developed that clearly diverges from scaling up of a traditional HST-type space telescope. With these realities in mind we have a few comments regarding the nature of a possible space telescope that may depart from what the organizers of this Workshop had in mind. The national goal declared by the President is Space Station, the Moon and Mars, in that order. Space Station is a potential location where a large system could be assembled prior to being sent into a high orbit. It is not a desirable environment for a large space telescope. Mars is not relevant as an observatory site. The Moon is very relevant for reasons we will address. Our comments are based on the premise of a permanent Lunar Outpost. One of the main arguments for a lunar telescope is a degree of permanency, that is, as long as a Lunar Outpost is maintained. In contrast, the relatively short lifetime of an orbiting telescope is a disadvantage, especially as a cost penalty. Access to a telescope in a 100,000 km orbit for refurbishment and resupply is a major problem with no solution in the present NASA planning. A telescope in conjunction with a Lunar Outpost means the possibility for continual upgrading or modifying the telescope to meet changing science objectives. The two main technical disadvantages of the Moon are: 1) its gravity field; and 2) direct Sun and Earth light. The gravity term is manageable. It also appears to be feasible to shield the telescope from direct sun and Earth light and from scattering from nearby lunar terrain. Thermal disturbances to the telescope also appear to be manageable by proper shielding, enabling the telescope to become as cold as if it were at a lunar pole crater. If these conditions are met, the telescope could be at a logistically convenient location near the Lunar Outpost. We want to address a concept that is significantly different from those presented in the preliminary communications from Garth Illingworth in order to help fill in the matrix of possibilities. This option, moreover, is of special interest to JPL and could be an area where JPL can contribute in future studies.

Meinel, Aden B.↗

DOE OSTI2023

A tool and a methodology to use macros for abstracting variations in code for different computational demands

Scientific software used on high-performance computing platforms is in a phase of transformation because of the combined increase in the heterogeneity and complexity of models and hardware platforms. Having separate implementations for different platforms can easily lead to combinatorial explosions; therefore, the computational science community has been looking for mechanisms to express code through abstractions that can be specialized for different platforms. Most existing approaches use template meta-programming in C++, and are, therefore language specific. Here, we have developed a tool that uses customized expansion of macros to mimic some of C++ behavior in other languages. It enables unification of any code variants that may be necessary to run efficiently on different target architectures and different computational environments through use of macros with multiple alternative definitions and ability to arbitrate on definition selection for expansion. Combined with two other tools, a custom runtime, and a user specified recipe translator, our custom macroprocessor becomes a part of an overall performance portability solution that does not depend on any specific programming language. We also use macros as code-shorthand that lets code snippets become building blocks that allow variations in control flow to explore performance options. We demonstrate use of macros in Flash-X, a multiphysics multicomponent code with many Fortran legacy components derived from an earlier community code FLASH.

Heterogenous computing↗

DOE OSTI2022

Global patterns of diversity and metabolism of microbial communities in deep-sea hydrothermal vent deposits

When deep-sea hydrothermal fluids mix with cold oxygenated fluids, minerals precipitate out of solution and form hydrothermal deposits. These actively venting deep-sea hydrothermal deposits support a rich diversity of thermophilic microorganisms which are involved in a range of carbon, sulfur, nitrogen, and hydrogen metabolisms. Global patterns of thermophilic microbial diversity in deep-sea hydrothermal ecosystems have illustrated the strong connectivity between geological processes and microbial colonization, but little is known about the genomic diversity and physiological potential of these novel taxa. Here we explore this genomic diversity in 42 metagenomes from four deep-sea hydrothermal vent fields and a deep-sea volcano collected from 2004 to 2018 and document their potential implications in biogeochemical cycles. Our dataset represents 3635 metagenome-assembled genomes encompassing 511 novel and recently identified genera from deep-sea hydrothermal settings. Some of the novel bacterial (107) and archaeal genera (30) that were recently reported from the deep-sea Brothers volcano were also detected at the deep-sea hydrothermal vent fields, while 99 bacterial and 54 archaeal genera were endemic to the deep-sea Brothers volcano deposits. We report some of the first examples of medium- (≥ 50% complete, ≤ 10% contaminated) to high-quality (> 90% complete, < 5% contaminated) MAGs from phyla and families never previously identified, or poorly sampled, from deep-sea hydrothermal environments. We greatly expand the novel diversity of Thermoproteia, Patescibacteria (Candidate Phyla Radiation, CPR), and Chloroflexota found at deep-sea hydrothermal vents and identify a small sampling of two potentially novel phyla, designated JALSQH01 and JALWCF01. Metabolic pathway analysis of metagenomes provides insights into the prevalent carbon, nitrogen, sulfur, and hydrogen metabolic processes across all sites and illustrates sulfur and nitrogen metabolic “handoffs” in community interactions. We confirm that Campylobacteria and Gammaproteobacteria occupy similar ecological guilds but their prevalence in a particular site is driven by shifts in the geochemical environment. Our study of globally distributed hydrothermal vent deposits provides a significant expansion of microbial genomic diversity associated with hydrothermal vent deposits and highlights the metabolic adaptation of taxonomic guilds. Collectively, our results illustrate the importance of comparative biodiversity studies in establishing patterns of shared phylogenetic diversity and physiological ecology, while providing many targets for enrichment and cultivation of novel and endemic taxa.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

MOOSE Framework Meshing Enhancements to Support Reactor Analysis

MOOSE-based physics codes require an input finite element mesh on which the physics solution is calculated, reported, and transferred to other physics codes. The use of difficult-touse, external licensed software is often required to generate high quality meshes for reactor geometries. High-fidelity geometry modeling also requires elaborate tracking of groups of elements for material property assignment and output reporting which can be considerably complex for the user to identify and maintain. Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, several meshingrelated enhancements have been developed for the MOOSE framework to address user challenges in creating finite element meshes for advanced reactor geometries. MOOSE mesh generators have been developed to mesh hexagonal geometries (pins, ducted assemblies, and cores) commonly found in liquid-metal cooled fast reactor concepts. The mesh generator used for hexagonal pin cells is generic for regular polygons and therefore may also be used for Cartesian pin cells. Hexagonal pin cells can be stitched into ducted assemblies, and assemblies can be stitched together into a core. The user may specify region ids, region names, and other preferences on the mesh. This control is useful for later material mapping in the MOOSE-based physics codes input. A capability was also developed for meshing rotating control drums including determination of material volume fractions in each mesh element as a function of time. Control drum meshes may be stitched to other hexagonal assemblies to create a core configuration. Additional mesh generators were developed that wrap around the hexagonal meshing capabilities and utilize “extra element integer” ID values on each element. In regular Cartesian or hexagonal assemblies or cores, the bookkeeping of element groups for both material assignment and output reporting can now be automated through assignment of pin, assembly, core, axial and depletion id values stored as extra element integers. The extra element tags on the mesh greatly speed the reactor analyst’s efforts to map materials to meshes, track depletion zones, and parse output such as axial pin power distributions. At the highest level, pin, assembly, and core mesh generators (with this reactor terminology) have also been developed to easily generate regular Cartesian and hexagonal cores, including axial extrusion. These reactor geometry builders call upon the previously mentioned capabilities to produce analysis-ready 3D meshes including material assignments. Open source mesh triangulation capabilities were also investigated for integration into the MOOSE framework to address the need for meshing the core periphery region which extends from the irregular outer assembly border to a cylindrical boundary. Options are limited due to licensing constraints, and the recommendation is pursue building a native MOOSE Delaunay triangulator routine with full functionality. Finally, a series of verification problems were performed with NEAMS physics tools. All developed capabilities will be available in the new open-source “Reactor” module of the MOOSE framework, which is accessible to any MOOSE-based NEAMS physics tool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2010

Web Design for Space Operations: An Overview of the Challenges and New Technologies Used in Developing and Operating Web-Based Applications in Real-Time Operational Support Onboard the International Space Station, in Astronaut Mission Planning and Mission Control Operations

The International Space Station (ISS) Operations Planning Team, Mission Control Centre and Mission Automation Support Network (MAS) have all evolved over the years to use commercial web-based technologies to create a configurable electronic infrastructure to manage the complex network of real-time planning, crew scheduling, resource and activity management as well as onboard document and procedure management required to co-ordinate ISS assembly, daily operations and mission support. While these Web technologies are classified as non-critical in nature, their use is part of an essential backbone of daily operations on the ISS and allows the crew to operate the ISS as a functioning science laboratory. The rapid evolution of the internet from 1998 (when ISS assembly began) to today, along with the nature of continuous manned operations in space, have presented a unique challenge in terms of software engineering and system development. In addition, the use of a wide array of competing internet technologies (including commercial technologies such as .NET and JAVA ) and the special requirements of having to support this network, both nationally among various control centres for International Partners (IPs), as well as onboard the station itself, have created special challenges for the MCC Web Tools Development Team, software engineers and flight controllers, who implement and maintain this system. This paper presents an overview of some of these operational challenges, and the evolving nature of the solutions and the future use of COTS based rich internet technologies in manned space flight operations. In particular this paper will focus on the use of Microsoft.s .NET API to develop Web-Based Operational tools, the use of XML based service oriented architectures (SOA) that needed to be customized to support Mission operations, the maintenance of a Microsoft IIS web server onboard the ISS, The OpsLan, functional-oriented Web Design with AJAX

Khan, Ahmed↗

NASA NTRS2011

Columbus Payloads Flow Rate Anomalies

The Columbus Active Thermal Control System (ATCS) is the main thermal bus for the pressurized racks working inside the European laboratory. One of the ATCS goals is to provide proper water flow rate to each payload (P/L) by controlling actively the pressure drop across the common plenum distribution piping. Overall flow measurement performed by the Water Pump Assembly (WPA) is the only flow rate monitor available at system level and is not part of the feedback control system. At rack activation the flow rate provided by the system is derived on ground by computing the WPA flow increase. With this approach, several anomalies were raised during these 3 years on-orbit, with the indication of low flow rate conditions on the European racks FSL, BioLab, EDR and EPM. This paper reviews the system and P/Ls calibration approach, the anomalies occurred, the engineering evaluation on the measurement approach and the accuracy improvements proposed, the on-orbit test under evaluation with NASA and finally discusses possible short and long term solutions in case of anomaly confirmation.

Quaranta, Albino↗

DOE OSTI2024

Interconnected Nanoporous Polysulfone by the Self-Assembly of Randomly Linked Copolymer Networks and Linear Multiblocks

Porous materials have attracted considerable attention due to their versatile applications, especially in water purification. Interconnected nanoporous structures are distinguished by their high degree of porosity and resistance to clogging, as well as their insensitivity to nanostructural orientation. Previous works on randomly linked copolymer systems have shown that they can effectively produce disordered cocontinuous nanostructures, which upon removal of one component yield interconnected nanoporous materials. However, the cocontinuous nanomaterials previously developed using polystyrene (PS) and poly(d,l-lactic acid) (PLA) strands, and the resulting interconnected nanoporous PS monoliths, were far too brittle to enable practical use as membranes. Here, we study the self-assembly of randomly linked copolymer networks prepared using blocks of the engineering polymer polysulfone (PSU). A wide cocontinuous regime (spanning 40 wt %) was found for randomly end-linked copolymer networks (RECNs) constructed from PSU and PLA strands, via a combination of mechanical testing, gravimetry, small-angle X-ray scattering, and scanning electron microscopy. The PSU/PLA cocontinuous nanomaterial with symmetric composition showed 2.4 times higher Young’s modulus and ~100 times greater toughness than the corresponding PS/PLA sample. The interconnected nanoporous PSU fabricated after etching of PLA even exhibited 1.6 times greater toughness than PS/PLA prior to PLA removal. To facilitate the production of thin films of cocontinuous nanomaterials, we applied solution-processable randomly linked linear PSU/PLA multiblock polymers onto ultrafiltration membranes. Here, the interconnected nanoporous PSU thin film generated by etching PLA was found to effectively reject 50 nm diameter particles without significantly compromising permeability. This discovery presents a valuable addition to the existing techniques used to fabricate PSU membranes. In contrast to traditional methods, which are sensitive to processing conditions, produce a wide range of pore sizes, and offer limited adjustability of pore size, the current technique is anticipated to enable interconnected PSU membranes with more uniform and tailorable porosity.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Final Report for Intravenous Fluid Generation (IVGEN) Spaceflight Experiment

NASA designed and operated the Intravenous Fluid Generation (IVGEN) experiment onboard the International Space Station (ISS), Increment 23/24, during May 2010. This hardware was a demonstration experiment to generate intravenous (IV) fluid from ISS Water Processing Assembly (WPA) potable water using a water purification technique and pharmaceutical mixing system. The IVGEN experiment utilizes a deionizing resin bed to remove contaminants from feedstock water to a purity level that meets the standards of the United States Pharmacopeia (USP), the governing body for pharmaceuticals in the United States. The water was then introduced into an IV bag where the fluid was mixed with USP-grade crystalline salt to produce USP normal saline (NS). Inline conductivity sensors quantified the feedstock water quality, output water purity, and NS mixing uniformity. Six 1.5-L bags of purified water were produced. Two of these bags were mixed with sodium chloride to make 0.9 percent NS solution. These two bags were returned to Earth to test for compliance with USP requirements. On-orbit results indicated that all of the experimental success criteria were met with the exception of the salt concentration. Problems with a large air bubble in the first bag of purified water resulted in a slightly concentrated saline solution of 117 percent of the target value of 0.9 g/L. The second bag had an inadequate amount of salt premeasured into the mixing bag resulting in a slightly deficient salt concentration of 93.8 percent of the target value. The USP permits a range from 95 to 105 percent of the target value. The testing plans for improvements for an operational system are also presented.

McQuillen, John B.↗

DOE OSTI2020

Case Study: Can you find Delftia?

Delftia is a genus of bacteria with a bunch of cool features! The best studied species, Delftia acidovorans can produce gold nanoparticles from gold ions in solution. This bacteria has been found living in biofolms with Cupriavidis metallidurans on gold nuggets. It is also found in soil, in sinks and in rhizospheres of different plants where it promotes their growth. Delftia acidovorans forms gold nuggets by producing a short nonribosomal peptide called delftibactin. The 16 genes responsible for the production of delftibactin are called the del cluster (delA-delP). These genes were originally discovered in Delftia acidovorans SPH-1, but our research shows that the del cluster appears to be present across the genus. We'll start with a number of raw reads, clean them up and do a little taxonomy to figure out what we might be able to assemble. Next, we'll assemble the reads using 4 different methods and pick out the best assembly. Then we'll take those reads and sort them by genome and assess the quality of those genomes. We'll select the high quality genomes to annotate and insert into phylogenetic trees to find relatives.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Liquid Sorption-Enhanced Haber–Bosch Process

The use of a liquid sorbent in a traditional Haber-Bosch process enables significant improvements in energy efficiency and potential cost savings for arguably the most important chemical process on the planet. The approach presented in this report employs an incompressible liquid sorbent that absorbs and releases ammonia (NH 3 ) under specific conditions. To achieve this, we investigate reactions of ammonia and pure phosphoric acid (H 3 PO 4 , PA), which rapidly neutralize to form an equilibrated solution of monoammonium phosphate (MAP) and diammonium phosphate (DAP) that functions as a reversible and regenerable sorbent. Through intimate contact of the gas-phase Haber-Bosch reaction mixture with this liquid absorbent, complete equilibrium uptake may be achieved in an appropriately sized separator, and facile separation occurs through the use of independent liquid and gas phases. Following depressurization and release of the ammonia product, only the incompressible fluid needs to be repressurized and returned to the reactor. This study documents proof-of-concept absorption and desorption experiments carried out in 75 mL batch reactors, predominantly charged with precise MAP and DAP mixtures that equilibrate at process-relevant temperatures and pressures. We then assemble the first thermodynamic relationships that underlie this advantaged separation strategy, validated by reactive force field (ReaxFF) interatomic potential simulations, and benchmarked with traditional separation routes via process modeling and technoeconomic analysis. The scale of energy consumption in the century-old Haber-Bosch process is massive, and the elegant liquid sorption approach reported here offers opportunities to enhance its energy efficiency for the next frontier of ammonia synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

DSN Scheduling Engine

The DSN (Deep Space Network) Scheduling Engine targets all space missions that use DSN services. It allows clients to issue scheduling, conflict identification, conflict resolution, and status requests in XML over a Java Message Service interface. The scheduling requests may include new requirements that represent a set of tracks to be scheduled under some constraints. This program uses a heuristic local search to schedule a variety of schedule requirements, and is being infused into the Service Scheduling Assembly, a mixed-initiative scheduling application. The engine resolves conflicting schedules of resource allocation according to a range of existing and possible requirement specifications, including optional antennas; start of track and track duration ranges; periodic tracks; locks on track start, duration, and allocated antenna; MSPA (multiple spacecraft per aperture); arraying/VLBI (very long baseline interferometry)/delta DOR (differential one-way ranging); continuous tracks; segmented tracks; gap-to-track ratio; and override or block-out of requirements. The scheduling models now include conflict identification for SOA(start of activity), BOT (beginning of track), RFI (radio frequency interference), and equipment constraints. This software will search through all possible allocations while providing a best-effort solution at any time. The engine reschedules to accommodate individual emergency tracks in 0.2 second, and emergency antenna downtime in 0.2 second. The software handles doubling of one mission's track requests over one week (to 42 total) in 2.7 seconds. Further tests will be performed in the context of actual schedules.

Clement, Bradley↗

DOE OSTI2025

Ligand-Driven Electrochemical Tuning of Co 6 Se 8 Chevrel Clusters

Molecular “Chevrel-type” clusters of the formula Co 6 Se 8 L 6 (L = neutral ligand) are a well-studied class of clusters due to their utility as molecular analogues to the Chevrel extended solid phase and their application as subunits in hierarchical materials. However, their solution and optical properties remain relatively underexplored. Aiming to develop the fundamental relationships between the molecular and electronic structures of these clusters and their electrochemical and photophysical properties, this work reports the preparation of a series of Co 6 Se 8 (P(C 6 H 4 R) 3 ) 6 -type clusters with R = Cl (1), F (2), H (3), CH 3 (4), and OCH 3 (5) via a stepwise synthetic approach. Solution and solid-state experimental characterization and density functional theory calculations reveal that the Co 6 Se 8 cores of 1–5 maintain consistent electronic and structural properties despite the variation of the triarylphosphine ligand para-substituent Hammett parameters (σ p ). However, cyclic voltammetry measurements indicate that the electron transfer energetics of 1–5 are strongly influenced by ligand substitution, with the E 1/2 of a given redox event spanning ∼0.5 V depending on the triarylphosphine ligand’s σ p . In conclusion, these findings support the characterization of Co 6 Se 8 clusters as atomically precise nanoclusters with both the structural robustness and the electrochemical tunability needed to act as components in larger charge transfer assemblies.

Wheaton, Amelia M. [Argonne National Laboratory (A↗

DOE OSTI2025

Unusual Electrochemical Activity of Thin SiO 2 Layers Leads to Instability of Molecular Attachment in Hybrid Photoelectrodes

Hybrid photoelectrodes, comprised of a light-absorbing semiconductor and a surface-integrated molecular catalyst, are attractive for applications in artificial photosynthesis, since they combine the advantages of broadband semiconductor light absorption with the selectivity of molecular catalysis. A widely used class of hybrid photoelectrodes is based on Si substrates passivated by a thin (<3 nm) layer of silicon oxide, which is commonly prepared by controlled chemical or thermal oxidation, resulting in chemical oxide (ChO) or thermal oxide (ThO) layers, respectively. However, the electrochemical stability of these oxide layers, and the chemical stability of the semiconductor-molecule assembly in hybrid photoelectrodes, are not well understood, with evidence that covalently-bound molecules detach from the oxide surface upon application of cathodic bias. We have examined the intrinsic electrochemical reactivity of silicon oxide layers and how it affects the attachment of molecular monolayers. We determined that the surface of Si|ThO is primarily terminated with hydrophobic siloxane moieties, whereas that of Si|ChO contains a higher concentration of hydrophilic silanol groups. Initial high current densities for Si|ChO under applied bias up to -2 V vs. Ag/AgCl, decrease during repeated cyclic voltammetry scans, due to the consumption of surface-bound water. This is manifested by a reversible wave around -0.5 V in CH 3 CN solution, and a similar pH-dependent wave in water, revealing the pK a of the silanol groups to be ~4. Here, our combined observations support the electrochemically-induced dehydration of the SiO 2 surface, which converts silanol groups to siloxanes and proceeds through an H-atom intermediate that is most likely stabilized by pentavalent Si. We propose that similar reactivity is responsible for the electrochemical loss of alkylsiloxane-attached molecules under cathodic bias, which has important implications for the choice of catalyst attachment strategy in hybrid photoelectrodes.

14 SOLAR ENERGY↗

DOE OSTI2024

Nonlinear Poisson–Boltzmann solutions for charged parallel plates: When opposite charges repel

I present an exact solution of the Poisson–Boltzmann equation for two parallel plates and discuss the solution properties. I discuss in more detail plates with opposite charges: In this case, there are two critical separations, L c,1 < L c,2 . For separations less than L c,1 , the force between plates is repulsive. It switches to attractive at L c,1 , but with the electric potential having the same sign on both plates. For L > L c,2 , the force remains attractive, and the potential at the plates has the same sign as the charge on each plate. I also describe charge regulation, determined by pK a , and provide formulas for both the critical distance where oppositely charged plates repel and their charging process. Finally, the implications of these results for the nanoparticle assembly, as driven by electrostatic interactions, are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

A 4 x 4 SiPM Sensor Array with Fast Preamplified Output Engineered for the PWO Detectors of the EIC EEEMCAL

The PbWO4 scintillation detectors for the Electron-Ion Collider Electron Endcap Electromagnetic Calorimeter (EEEMCAL) cannot use vacuum photomultipler tubes due to the high magnetic field environment. We are presenting a readout solution with a 4 x 4 SiPM array directly coupled to a preamplification and summing stage. A second amplification stage with variable gain and offset adjustments is also included in the compact electronics module. The integrated power supply feeds the signal processing chain and the adjustable bias control. The parameter settings are saved locally on a EEPROM and are adjustable via the integrated communication interface through USB or RS485. The design was optimized to maximize signal collection energy resolution, for fast timing and wide dynamic range while keeping a small footprint with low power consumption and heat dissipation. The output response is fast enough to meet the 100 ? 200 ns digitization gate requirements for the detector. The electronics assembly requires no active cooling and includes a temperature sensor and a gain compensation of thermal variations which are important features for stable operation in large scale detector structures. A detector prototype was constructed with 20 mm x 20 mm x 200 mm PWO crystals affixed with individual SiPM array readouts and arranged in a 3 x 3 array. This detector was tested at the Thomas Jefferson National Accelerator Facility with 5GeV positrons. We will present the results of these detector characterization measurements.

Philip, O.↗

DOE OSTI2024

Innovative Advanced Hydrogen Mobile Fueler (Final Technical Report)

The US Department of Energy (DOE) funded a project to design, develop, deploy and analyze the economic viability of an innovative Advanced Hydrogen Mobile Fueler (AHMF). As part of the design activity the project team defined specifications based upon vehicle requirements and compliance with specific fueling performance criteria. The AHMF was originally designed to fuel 10-20 fuel cell vehicles (FCV) per day, consistent with the requirements of the H70 fueling category. The AHMF is able to operate without remote power connections, is modular for easy transport and deployment, and can provide expanded daily capacity and multi-day operations using delivered gaseous hydrogen. Toward the end of the project, due to request from the hydrogen industry and some necessary modifications of the AHMF, the system is now modified to fuel heavy duty vehicles. The project was conducted over two primary phases, each including several key tasks, subtasks, and project milestones. Phase 1 involved the design, development, and construction of the AHMF, moving from a conceptual design through to completion of assembly and testing. In addition to reviewing several different approaches, the team chose to take a conventional station design and modify it for mobile fueling. There were several innovative components included in the design. The high pressure storage was the first to achieve a US Department of Energy (DOE) Special Permit (SP 20391) to transport high pressure hydrogen (95 MPa) in a composite cylinder. The second novel system was a liquid nitrogen (LIN) cooling system with a compact heat exchanger. Without this change, the cooling system would not be able to fit into the AHMF. Phase 2 demonstrated the AHMF by fueling fuel cell buses at a fleet in Pomona, CA. The site was chosen because a temporary fueling solution was required while a fixed station was being installed. The existing permits for the fixed station and non-public access also was a determining factor. Over two months, the buses were fueled 320 times with over 5000 kg of hydrogen from tube trailers. Existing shore power was used, and the average electrical efficiency was 0.13 kWh/kg. The average liquid nitrogen (LIN) consumption was 90.68 scf/kg. The fueling and consumption data was provided to the National Renewable Energy Laboratory (NREL) for analysis. An economic analysis was performed and will be provided in a separate report. The project was successful, but not without challenges and lessons learned. The DOT special permit led the way for the use of high pressure, composite cylinders and is being by multiple other systems and applications. The pandemic along with time for the DOT special permit approval delayed the project for years. The team also believes that hydrogen mobile fueling has a use for the industry, especially during this upcoming phase of expansion. However, it does have its limitations due to high cost to build and operate, and the same permitting challenges as a fixed station. A fully capable system at the speeds and pressures of the AHMF may not be necessary for most applications and would help reduce the cost and increase storage capacity. The on-board generator can be easily replaced with shore power or the wide range of power generation solutions in the marketplace. One of the major results of the project was the development of new code language in National Fire Protection Agency (NFPA) 2 and the International Fire Code (IFC) for on-demand mobile fueling. This will provide guidance for Authorities Having Jurisdiction (AHJ) and user on how to permit temporary fueling sites across the nation.

08 HYDROGEN↗

DOE OSTI2026

Speedup of UEDGE Parameter Scans Using Machine-Learning Optimized OpenMP Parallelization and a Continuation Solver

This article presents the OpenMP parallelization of the preconditioning Jacobian assembly and right‐hand side residual evaluation in UEDGE. A continuation algorithm, utilizing the internal NKSOL implicit Jacobian‐Free Newton‐Krylov solver to efficiently scan physical parameters, is also presented. The implemented parallelization reduces the computational time for a benchmark scan run on 32 threads by compared to the serial version when using trained random forest regression models to identify the optimal decomposition of the system of equations. Random forest regression models applied to the UEDGE time‐dependent and continuation solver algorithms did not yield meaningful improvement in computational performance. A benchmark DIII‐D gas injection rate scan in the 0.35–0.75 kA interval, performed on a test cluster using the parallelized code and continuation solver, produced 1066 steady‐state solutions with a 22 s average wall‐clock computational time per steady‐state solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗