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At least 1,243 records · Page 69

HPDR: High-Performance Portable Scientific Data Reduction Framework

The rapid growth in scientific data generation is outpacing advancements in computing systems necessary for efficient storage, transfer, and analysis, particularly in the context of exascale computing. With the deployment of first-generation exascale computing systems and next-generation experimental facilities, this gap is widening and necessitates effective data reduction techniques to manage enormous data volumes. Over the past decade, various data reduction methods, including lossless compression, error-controlled lossy compression, and data refactoring, have been developed to accelerate I/O in scientific workflows. Despite significant reductions in data volume, these methods introduce considerable computational overhead, which can become the new bottleneck in data processing. To mitigate this, GPU-accelerated data reduction algorithms have been introduced. However, challenges remain in their integration into exascale workflows, including limited portability across different GPU architectures, substantial memory transfer overhead, and reduced scalability on dense multi-GPU systems. To address these challenges, we propose HPDR, a high-performance and portable data reduction framework. HPDR is designed to enable the execution of state-of-the-art reduction algorithms across diverse processor architectures while reducing memory transfer overhead to 2.3 % of the original, resulting in up to 3.5× faster throughput compared to existing solutions. It also achieves up to 96% of the theoretical speedup in multi-GPU settings. In addition, evaluations on accelerating I/O operations at scale up to 1,024 nodes of the Frontier supercomputer demonstrate that HPDR can achieve up to 103 TB/s reduction throughput, providing up to 4× acceleration in parallel I/O performance compared to existing data reduction routines. This work highlights the potential of HPDR to significantly enhance data reduction efficiency in exascale computing environments.

Chen, Jieyang [University of Oregon]↗

Synergetic Dual‐Additive Electrolyte Enables Highly Stable Performance in Sodium Metal Batteries

Sodium (Na)-metal batteries (SMBs) are considered one of the most promising candidates for the large-scale energy storage market owing to their high theoretical capacity (1,166 mAh g -1 ) and the abundance of Na raw material. However, the limited stability of electrolytes still hindered the application of SMBs. Herein, sulfolane (Sul) and vinylene carbonate (VC) are identified as effective dual additives that can largely stabilize propylene carbonate (PC)-based electrolytes, prevent dendrite growth, and extend the cycle life of SMBs. The cycling stability of the Na/NaNi 0.68 Mn 0.22 Co 0.1 O 2 (NaNMC) cell with this dual-additive electrolyte is remarkably enhanced, with a capacity retention of 94% and a Coulombic efficiency (CE) of 99.9% over 600 cycles at a 5 C (750 mA g -1 ) rate. The superior cycling performance of the cells can be attributed to the homogenous, dense, and thin hybrid solid electrolyte interphase consisting of F- and S-containing species on the surface of both the Na metal anode and the NaNMC cathode by adding dual additives. Such unique interphases can effectively facilitate Na-ion transport kinetics and avoid electrolyte depletion during repeated cycling at a very high rate of 5 C. This electrolyte design is believed to result in further improvements in the performance of SMBs.

25 ENERGY STORAGE↗

Transport–Friendly Microstructure in SSC–MEA: Unveiling the SSC Ionomer–Based Membrane Electrode Assemblies for Enhanced Fuel Cell Performance

The significant role of the cathodic binder in modulating mass transport within the catalyst layer (CL) of fuel cells is essential for optimizing cell performance. This investigation focuses on enhancing the membrane electrode assembly (MEA) through the utilization of a short-side-chain perfluoro-sulfonic acid (SSC-PFSA) ionomer as the cathode binder, referred to as SSC-MEA. This study meticulously visualizes the distinctive interpenetrating networks of ionomers and catalysts, and explicitly clarifies the triple-phase interface, unveiling the transport-friendly microstructure and transport mechanisms inherent in SSC-MEA. The SSC-MEA exhibits advantageous microstructural features, including a better-connected ionomer network and well-organized hierarchical porous structure, culminating in superior mass transfer properties. Relative to the MEA bonded by long-side-chain perfluoro-sulfonic acid (LSC-PFSA) ionomer, noted as LSC-MEA, SSC-MEA exhibits a notable peak power density (1.23 W cm –2 ), efficient O 2 transport, and remarkable proton conductivity (65% improvement) at 65 °C and 70% relativity humidity (RH). These findings establish crucial insights into the intricate morphology-transport-performance relationship in the CL, thereby providing strategic guidance for developing highly efficient MEA.

25 ENERGY STORAGE↗

Energy Storage Financing: Operations & Market Strategy

This study investigates the impact that operations and market strategy have on the design and value of an energy storage system on three levels of the facility: the cell level, the system level, and the project level. The study provides insights for developers, capital providers, customers and policy makers into the impact different operational strategies have on effectiveness of energy storage system in today's emerging market. Energy storage systems can be used for a variety of usage profiles, with the choice having a profound impact on their performance, lifespan, and revenue potential. Most evaluations of application stacking only look at the possible revenue potential without understanding the increased costs and potential for major damage to the cells. Evaluating the impact of operational choices is critical to understanding the risk adjusted return from energy storage project investment. This is the fifth study in the Energy Storage Financing Study series, which is designed to investigate challenges surrounding the financing of energy storage projects in the U.S., promoting greater technology and project risk transparency, reducing project transaction costs, and supporting a level playing field for innovative energy storage technologies.

25 ENERGY STORAGE↗

Metal‐Organic Framework (MOF) Morphology Control by Design

Abstract Exerting morphological control over metal‐organic frameworks (MOFs) is critical for determining their catalytic performance and to optimize their packing behavior in areas from separations to fuel gas storage. A mechanism‐based approach to tailor the morphology of MOFs is introduced and experimentally demonstrated for five cubic Zn 4 O‐based MOFs. This methodology provides three key features: 1) computational screening for selection of appropriate additives to change crystal morphology based on knowledge of the crystal structure alone; 2) use of additive to metal cluster geometric relationships to achieve morphologies expressing desired crystallographic facets; 3) potential for suppression of interpenetration for certain phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Off-design performance of molten salt-driven Rankine cycles and its impact on the optimal dispatch of concentrating solar power systems

This paper presents a model for improving off-design performance predictions for molten salt-driven Rankine power cycles, such as in concentrating solar power tower applications. The model predicts cycle off-design performance under various boundary conditions, including molten salt inlet temperature, mass flow rate, and ambient temperature. The model is validated using industry performance data and benchmarked with results from the literature. A complete concentrating solar power plant, inclusive of solar heliostat field and receiver, is then considered, by implementing the Rankine cycle off-design performance results into the National Renewable Energy Laboratory’s System Advisor Model software, which includes a tool that determines optimal power production schedules. The work improves upon the current System Advisor Model by updating off-design performance characteristics. A case study demonstrates the impact of cycle off-design behavior on annual performance for a stand-alone concentrating solar power system and a concentrating solar power-photovoltaic hybrid system. In addition, we demonstrate how cycle off-design performance influences optimal operator dispatch decisions and, thereby, overall system design and economics. We conclude that off-design cycle performance impacts “optimal” sub-system sizing, especially for a concentrating solar power-photovoltaic hybrid configuration in which concentrating solar power must dispatch in conjunction with photovoltaic generation.

14 SOLAR ENERGY↗

Generative AI for design of nanoporous materials: review and future prospects

Generative artificial intelligence (AI) is emerging as a powerful tool for advancing the design of nanoporous materials such as metal–organic frameworks, covalent–organic frameworks, and zeolites. These materials have potential application in important areas such as carbon capture, catalysis, gas storage, chemical separation, and drug delivery due to their modular, tunable structures, and their performance in these areas depends on precise control over their structure, chemical functionalities, and properties. Herein, we provide a review of generative AI algorithms that are emerging as powerful tools for the design of nanoporous materials, namely generative adversarial networks, variational autoencoders, diffusion models, genetic algorithms, reinforcement learning, and large language models. Some models are particularly good at generating diverse and high-quality designs, while others excel at exploring large design spaces or optimizing materials with desired properties. Certain algorithms also allow for efficient transitions between different designs, and some offer versatility in generating materials based on textual input. We discuss the advantages, limitations, and applications of these algorithms in porous material design and emphasize the future potential of integrating AI with experimental workflows to accelerate the development and validation of AI-generated materials.

36 MATERIALS SCIENCE↗

Non-neutral plasma manipulation techniques in development of a high-capacity positron trap

Preliminary experiments have been performed toward the development of a multi-cell Penning–Malmberg trap for the storage of large numbers of positrons (≥10 10 e + ). We introduce the master-cell test trap and the diagnostic tools for first experiments with electrons. The usage of a phosphor screen to measure the z-integrated plasma distribution and the number of confined particles is demonstrated, as well as the trap alignment to the magnetic field ( B = 3.1 T) using the m = 1 diocotron mode. The plasma parameters and expansion are described along with the autoresonant excitation of the diocotron mode using rotating dipole fields and frequency chirped sinusoidal drive signals. We analyze the reproducibility of the excitation and use these findings to settle on the path for the next generation multi-cell test device.

Singer, M.↗

Improved Neutron Lifetime Measurement with UCN$\tau$

In this work, we report an improved measurement of the free neutron lifetime $\tau_n$ using the UCN$\tau$ apparatus at the Los Alamos Neutron Science Center. We count a total of approximately 38×10 6 surviving ultracold neutrons (UCNs) after storing in UCN$\tau$’s magnetogravitational trap over two data acquisition campaigns in 2017 and 2018. We extract $\tau$ n from three blinded, independent analyses by both pairing long and short storage time runs to find a set of replicate $\tau$ n measurements and by performing a global likelihood fit to all data while self-consistently incorporating the β-decay lifetime. Both techniques achieve consistent results and find a value $\tau$ n =877.75±0.28 stat +0.22/–0.16 syst s. With this sensitivity, neutron lifetime experiments now directly address the impact of recent refinements in our understanding of the standard model for neutron decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Improving I/O-aware Workflow Scheduling via Data Flow Characterization and trade-off Analysis

The scientific computing paradigm has transitioned from compute-intensive to I/O-intensive and memory-intensive in the past decade, especially when data-driven science has become common practice. Numerous empirical I/O-aware scheduling optimizations have been developed by incorporating I/O capacity and bandwidth as constraints into scheduling. Unfortunately, there is a lack of data flow (I/O) characterization tool and an understanding of trade-offs between concurrency, locality, and I/O bandwidth. To bridge the gap, this work 1) presents a set of descriptors to characterize, organize, and visualize I/O profiles, including flow size, I/O bandwidth, and operation count, which group data flows by I/O types, tasks, and files; 2) proposes an I/O Roofline model-based trade-off analysis to find the optimal trade-off between flow operational intensity, concurrency, and flow performance. The I/O descriptors generate useful insights into complicated I/O behaviors, suggesting distinct concurrency, storage, and scheduling to be used by types, tasks, and files. The proposed trade-off analysis guides scheduling decisions that generate resource assignment with the best flow parallelism. We evaluate our I/O-aware scheduling methodology on a highly I/O-intensive workflow–1000 Genomes. The experimental results demonstrate speedups of up to 2.4× compared to the state-of-the- art methods.

Guo, Luanzheng [BATTELLE (PACIFIC NW LAB)]↗

Magnetic Field Optimization of an In-Vacuum Undulator at NSLS-II Transactions on Applied Superconductivity

A 3.0 m long In-Vacuum Undulator (IVU) is employed at the National Synchrotron Light Source II (NSLS-II) for the Hard X-ray Nanoprobe (HXN) beamline providing structural and X-ray fluorescence imaging with world-leading spatial resolution. On July 1 st 2018 a gearbox shaft in the gap drive train assembly sheared due to corrosion fatigue caused by stress due to mechanical misalignment. Furthermore, the device was extracted from the storage ring and measured. The magnetic field measurements detected a degradation of the magnetic performance as well as a localized demagnetization of the magnetic modules of the first 3 upstream periods. We describe here the mechanical repairs and the magnetic phase shimming optimization implemented to restore the spectral performance of the device.

43 PARTICLE ACCELERATORS↗

Design and Analysis of Short Period 2G-HTS Undulators

Recent advancements in second-generation high-temperature superconducting (2G-HTS) materials have opened new possibilities for superconducting undulator (SCU) technology, particularly in achieving shorter periods and higher magnetic fields. Here, this paper presents the design and analysis of a short-period, as small as 10 mm, 2G-HTS undulator, focusing on magnetic performance, mechanical force minimization, and quench protection. A force-balanced coil pack design is introduced to significantly reduce mechanical stresses on the conductors, eliminating the need for heavy support structures. Rapid prototyping techniques such as3D printing is employed to refine the design for scalability and manufacturability. Correction schemes for end-field effects are developed using a combination of 2G-HTS tapes and NbTi conductors to optimize field integrals. Simulation results demonstrated that optimized magnetic performance and enhanced mechanical stability, positioning 2G-HTS undulators as promising candidates for storage ring and free-electron based light sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Streaming Data in HPC Workflows Using ADIOS

The “IO Wall” problem, in which the gap between computation rate and data access rate grows continuously, poses significant problems to scientific workflows which have traditionally relied upon using the filesystem for intermediate storage between workflow stages. One way to avoid this problem in scientific workflows is to stream data directly from producers to consumers and avoiding storage entirely. However, the manner in which this is accomplished is key to both performance and usability. This paper presents the Sustainable Staging Transport, an approach which allows direct streaming between traditional file writers and readers with few application changes. SST is an ADIOS “engine”, accessible via standard ADIOS APIs, and because ADIOS allows engines to be chosen at run-time, many existing file-oriented ADIOS workflows can utilize SST for direct application-to-application communication without any source code changes. This paper describes the design of SST and presents performance results from various applications that use SST, for feeding model training with simulation data with substantially higher bandwidth than the theoretical limits of Frontier’s file system, for strong coupling of separately developed applications for multiphysics multiscale simulation, or for in situ analysis and visualization of data to complete all data processing shortly after the simulation finishes.

Podhorszki, Norbert [ORNL] (ORCID:000000019647542X↗

Needs and Opportunities for Testing of Hydropower Technology Innovations

Despite hydropower’s status as a well-established technology, changes in the global energy sector have prompted a variety of necessary hydropower technological innovations. Examples include efficient lowhead turbines, more flexible and dispatchable hydropower and pumped storage systems to complement variable and intermittent renewable resources, and technologies providing higher environmental performance. However, while innovative technologies are currently being proposed to meet these development challenges, small hydropower facility owners do not have sufficient risk-bearing capacity to adopt new, unvalidated technologies. This discourages manufacturers from bringing nascent technologies to market and stalls the technological growth of the sector. To reduce the risks associated with new technologies and promote further innovation, systemic (and sometimes unconventional) validation activities and new testing capabilities for hydropower are highly desired. These testing capabilities must demonstrate the safety, environmental acceptability, reliability, and performance of innovative technologies to quantify their value compared with existing technologies. Establishing these capabilities through dedicated testing facilities will be key to promoting hydropower growth in the United States. Following direction from the House Energy and Water Development Committee, the US Department of Energy’s Water Power Technologies Office (WPTO) has been tasked with understanding the state of hydropower testing in the United States. This scoping report discusses the needs and opportunities of hydropower testing in the United States, with a specific focus on small hydropower. Future developments will likely mostly target low-head sites with less than 30 ft (9.1 m) from new stream-reach developments, non-powered dam retrofits, and rehabilitation/upgrade of existing plants.

13 HYDRO ENERGY↗

The HyRIGHT Project: 700 bar Hydrogen Refueling Interface for Gaseous Heavy-Duty Trucks

Heavy duty truck fueling places additional constraints on the station. The HyRIGHT project was developed to evaluate a subset of key areas around precooling, communications, and safety risks that aims to:  Utilize a dynamic model that includes the relevant station components and vehicle to develop an optimized precooling strategy based on initial precooling status, real time communications that can support fueling protocol development.  Perform a techno economic cost assessment (TEA) related to effects of precooling including station storage and efficiency effects.  Develop a Cyber Vulnerability assessment and framework for refueling of HD vehicles with station communications.  Disseminate the results in support of the HD fueling protocol development to the relevant standards development organizations.

JAMES, Charles W.↗

ER4047 Filler Wire Development - Initial Studies

This report describes the results of bead on pipe welding trials for the purpose of evaluating commercial off the shelf (COTS) 0.047” ER4047 filler material vendors for down selection of the of best candidate filler material for future Gas-metal Arc Welding (GMAW) development efforts. Four candidate COTS ER4047 filler wires were evaluated during this work - Astrolite, Alcotec, Hobart, and Lincoln. The storage condition of each of these filler wires was documented and visual inspection was performed.

36 MATERIALS SCIENCE↗

Techno-Economic Analysis of an SOFC Hybrid Carbon Conversion Concept

This is a presentation prepared for the 2023 Hydrogen and Fuel Cell Seminar to take place in Long Beach, CA on February 7-9, 2023. The presentation highlights analysis recently conducted by NETL on the cost and performance associated with operating SOFC systems in a hybridized configuration with compressed air energy storage.

Buchheit, Kyle L.↗

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗