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The role of gas flow distributions on CO 2 mineralization within monolithic cemented composites: coupled CFD-factorial design approach

The carbonation kinetics of monolithic cementing composites are strongly affected by gas transport which is, in turn, influenced by microstructural resistances and the presence of liquid water within pore networks. The non-uniform gas flow distribution within the CO 2 mineralization reactor can impart mass transfer resistance in the monolith microstructure, which affects the uptake of CO 2 (“carbonation”) of the cementing composites. This paper demonstrates how the gas spatial distribution (velocity and flow rate; quantified by CFD analysis) and processing conditions (temperature, relative humidity, and flow rate; quantified by factorial design) affect drying and carbonation, and in turn, the engineering properties of a representative ‘monolithic’ carbonate-cemented concrete component (i.e., herein concrete masonry unit: CMUs, also known as concrete block). It is shown that the gas flow distribution affects drying front penetration and results in moisture and carbonation gradients within the monolith. Particularly, variations in drying kinetics caused by non-uniformity of the contacting gas velocity impose gradients in moisture saturation, which results in increasing microstructural resistance to CO 2 transport. The resultant non-uniform carbonate-mineral formation (i.e., carbonate cementation), if not controlled, can produce gradients in mechanical properties and may alter failure patterns upon loading. Finally, these insights inform the optimal design of gas flow distribution systems and processing conditions within CO 2 mineralization reactors for the manufacturing of low-CO 2 concrete components using CO 2 -dilute industrial flue gas streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Least-Cost Storage Mix for Low-Carbon Operations

As communities plan for high- or ultrahigh-renewable power systems, they face diverse options for energy storage. Each energy storage technology has a unique power capacity and discharge duration, and each community has a unique load, generation mix, and weather pattern. Determining the optimal storage portfolio across these parameters could save planners significant costs when building out high-renewable power systems.

analysis↗

RingX: Scalable Parallel Attention for Long-Context Learning on HPC

The attention mechanism has become foundational for remarkable AI breakthroughs since the introduction of the Transformer, driving the demand for increasingly longer context to power frontier models such as large-scale reasoning language models and high-resolution image/video generators. However, its quadratic computational and memory complexities present substantial challenges. Current state-of-the-art parallel attention methods, such as ring attention, are widely adopted for long-context training but utilize a point-to-point communication strategy that fails to fully exploit the capabilities of modern HPC network architectures. In this work, we propose ringX, a scalable family of parallel attention methods optimized explicitly for HPC systems. By enhancing workload partitioning, refining communication patterns, and improving load balancing, ringX achieves up to 3.4 × speedup compared to conventional ring attention on the Frontier supercomputer. Optimized for both bi-directional and causal attention mechanisms, ringX demonstrates its effectiveness through training benchmarks of a Vision Transformer (ViT) on a climate dataset and a Generative Pre-Trained Transformer (GPT) model, Llama3 8B. Our method attains an end-to-end training speedup of approximately 1.5 × in both scenarios. To our knowledge, the achieved 38% model FLOPs utilization (MFU) for training Llama3 8B with a 1M-token sequence length on 4,096 GPUs represents one of the highest training efficiencies reported for long-context learning on HPC systems. Our code implementation is available at https://github.com/jqyin/ringX-attention.

Yin, Junqi [ORNL] (ORCID:0000000338435520)↗

Analysis of the access patterns at GSFC distributed active archive center

The Goddard Space Flight Center (GSFC) Distributed Active Archive Center (DAAC) has been operational for more than two years. Its mission is to support existing and pre Earth Observing System (EOS) Earth science datasets, facilitate the scientific research, and test Earth Observing System Data and Information System (EOSDIS) concepts. Over 550,000 files and documents have been archived, and more than six Terabytes have been distributed to the scientific community. Information about user request and file access patterns, and their impact on system loading, is needed to optimize current operations and to plan for future archives. To facilitate the management of daily activities, the GSFC DAAC has developed a data base system to track correspondence, requests, ingestion and distribution. In addition, several log files which record transactions on Unitree are maintained and periodically examined. This study identifies some of the users' requests and file access patterns at the GSFC DAAC during 1995. The analysis is limited to the subset of orders for which the data files are under the control of the Hierarchical Storage Management (HSM) Unitree. The results show that most of the data volume ordered was for two data products. The volume was also mostly made up of level 3 and 4 data and most of the volume was distributed on 8 mm and 4 mm tapes. In addition, most of the volume ordered was for deliveries in North America although there was a significant world-wide use. There was a wide range of request sizes in terms of volume and number of files ordered. On an average 78.6 files were ordered per request. Using the data managed by Unitree, several caching algorithms have been evaluated for both hit rate and the overhead ('cost') associated with the movement of data from near-line devices to disks. The algorithm called LRU/2 bin was found to be the best for this workload, but the STbin algorithm also worked well.

Johnson, Theodore↗

Optimization Methods for Evaluating PEV Charging Considering Customer Behavior

Plug-in electric vehicles (PEVs) can be connected to grid through electrical vehicle supply equipment (EVSE) to provide various grid services in addition to battery charging. This paper evaluates loading condition of a distribution system with a medium penetration of PEVs considering different charging strategies and public EVSE availability. A mobility and charging flexibility model is proposed to capture PEVs’ temporal availability and varying charging capability at different parking locations. Detailed trip information extracted from the National Household Travel Survey is used to represent travel and parking patterns. An optimization method is then proposed to coordinate PEV charging to effectively shift load from peak to off-peak hours. One of the prototypical feeders developed by the Pacific Northwest National Laboratory is studied in different scenarios.

Wu, Di↗

Graded Infill Structure of Wind Turbine Blade Accounting for Internal Stress in Big Area Additive Manufacturing

In additively manufactured (AM) components, infill structure significantly affects the mechanical performance of the final printed part. However, mechanical stress induced by operation loads has been so far neglected for infill patterning. Most slicers currently available in the market provide infill patterns that are uniform in shape and size regardless of the operational loading. We develop a design approach for infill patterns that accounts for the induced stress. This approach differs from topology optimization as it focuses on the porous infill, which allows the external shape of the printed part to remain intact. The proposed approach uses a computational stress analysis to control the distribution of the local density of the infill pattern. We have applied the approach to a wind turbine blade core with infill densities optimized based on the structural loads. The blade core is fabricated in our big area additive manufacturing (BAAM) system. To ensure less warpage and better inter-layer bonding, fast layer deposition is critical in BAAM system. We have optimized the tool path sequences to minimize the deposition time via the solution to the Chinese Postman Problem (CPP). For the application of wind turbine infill, the deposition from the CPP method is twice faster than the deposition from conventional slicing.

Kim, Pum↗

Optimal allocation of series FACTS devices in large‐scale systems

Series flexible AC transmission systems devices, such as the variable series reactor, have the ability to continuously regulate the transmission line reactance so as to control power flow. This study presents a new approach to optimally locating such devices in the transmission network considering multiple operating states and contingencies. To investigate optimal investment, a single target year planning with three different load patterns is considered. The transmission contingencies may occur under any of the three load conditions and the coupling constraints between base case and contingencies are included. A reformulation technique transforms the original mixed integer non‐linear programming model into mixed integer linear programming model. To further relieve the computational burden and enable the planning model to be directly applied to practical large‐scale systems, a two‐phase decomposition algorithm is introduced. Detailed numerical simulation results on IEEE 118‐bus system and the Polish 2383‐bus system illustrate the efficient performance of the proposed algorithm.

Zhang, Xiaohu↗

Zero-Gravity Locomotion Simulators: New Ground-Based Analogs for Microgravity Exercise Simulation

Maintaining health and fitness in crewmembers during space missions is essential for preserving performance for mission-critical tasks. NASA's Exercise Countermeasures Project (ECP) provides space exploration exercise hardware and monitoring requirements that lead to devices that are reliable, meet medical, vehicle, and habitat constraints, and use minimal vehicle and crew resources. ECP will also develop and validate efficient exercise prescriptions that minimize daily time needed for completion of exercise yet maximize performance for mission activities. In meeting these mission goals, NASA Glenn Research Center (Cleveland, OH, USA), in collaboration with the Cleveland Clinic (Cleveland, Ohio, USA), has developed a suite of zero-gravity locomotion simulators and associated technologies to address the need for ground-based test analog capability for simulating in-flight (microgravity) and surface (partial-gravity) exercise to advance the health and safety of astronaut crews and the next generation of space explorers. Various research areas can be explored. These include improving crew comfort during exercise, and understanding joint kinematics and muscle activation pattern differences relative to external loading mechanisms. In addition, exercise protocol and hardware optimization can be investigated, along with characterizing system dynamic response and the physiological demand associated with advanced exercise device concepts and performance of critical mission tasks for Exploration class missions. Three zero-gravity locomotion simulators are currently in use and the research focus for each will be presented. All of the devices are based on a supine subject suspension system, which simulates a reduced gravity environment by completely or partially offloading the weight of the exercising test subject s body. A platform for mounting treadmill is positioned perpendicularly to the test subject. The Cleveland Clinic Zero-g Locomotion Simulator (ZLS) utilizes a pneumatic subject load device to apply a near constant gravity-replacement load to the test subject during exercise, and is currently used in conjunction with the General Clinical Research Center for evaluating exercise protocols using a bedrest analog. The enhanced ZLS (eZLS) at NASA Glenn Research Center features an offloaded treadmill that floats on a thin film of air and interfaces to a force reaction frame via variably-compliant isolators, or vibration isolation system. The isolators can be configured to simulate compliant interfaces to the vehicle, which affects mechanical loading to crewmembers during exercise, and has been used to validate system dynamic models for new countermeasures equipment designs, such as the second International Space Station treadmill slated for use in 2010. In the eZLS, the test subject and exercise device can be pitched at the appropriate angle for partial gravity simulations, such as lunar gravity (1/6th earth gravity). On both the eZLS and the NASA-Johnson Space Center standalone ZLS installed at the University of Texas Medical Branch in Galveston, Texas, USA, the subject's body weight relative to the treadmill is controlled via a linear motor subject load device (LM-SLD). The LM-SLD employs a force-feedback closed-loop control system to provide a relatively constant force to the test subject during locomotion, and is set and verified for subject safety prior to each session. Locomotion data were collected during parabolic flight and on the eZLS. The purpose was to determine the similarities and differences between locomotion in actual and simulated microgravity. Subjects attained greater amounts of hip flexion during walking and running during parabolic flight. During running, subjects had greater hip range of motion. Trunk motion was significantly less on the eZLS than during parabolic flight. Peak impact forces, loading rate, and impulse were greater on the eZLS than during parabolic while walking with a low external load (EL) and rning with a high EL. Activation timing differences existed between locations in all muscles except for the rectus femoris. The tibialis anterior and gluteus maximus were active for longer durations on the eZLS than in parabolic flight during walking. Ground reaction forces were greater with the LM-SLD than with bungees during eZLS locomotion. While the eZLS serves as a ground-based analog, researchers should be aware that subtle, but measurable, differences in kinematics and leg musculature activities exist between the environments. Aside from space applications, zero-gravity locomotion simulators may help medical researchers in the future with development of rehabilitative or therapeutic protocols for injured or ill patients. Zero-gravity locomotion simulators may be used as a ground-based test bed to support future missions for space exploration, and eventually may be used to simulate planetary locomotion in partial gravity environments, including the Moon and Mars. Figure: Zero-gravity Locomotion Simulator at the Cleveland Clinic, Cleveland, Ohio, USA

Perusek, Gail P.↗

PAAV Concept Document

The Pathfinding for Airspace with Autonomous Vehicles (PAAV) Concept Document, version 1.0, lays out the key challenges and potential solutions for the use of uncrewed aircraft (UA) technology for future regional air cargo operations. The challenges and solutions described in this document were informed by communications with the UA industry community (e.g., RTCA, the Federal Aviation Administration, and regional air cargo business operators), as well as the PAAV team’s research activities during the last two years including four tabletop exercises, a human-in-the-loop simulation study, a numerical simulation study, a functional allocation study, and flight data analysis (Appendix A). This document first describes the expected operational context of PAAV (Section 2), such as the flight mission, baseline UAS components, nominal operations, m:N operations (i.e., "m" remote pilots per "N" aircraft), and off-nominal operations. This context sets the scope for the PAAV concept development work. PAAV concept development assumes that UA operations will be increasingly autonomous. Thus, near- and far-term assumptions are defined (Section 3). PAAV identified seven key challenges for UA operations (Section 4): - Flight route planning - Separation and flow management - Traffic pattern integration - Contingency management - Taxi, takeoff, and landing - m:N operations - Communications operations The following 13 potential solutions to these challenges are then described (Section 5): - Scalable communications architecture - Data link - Designated UAS corridors - Crew planning for m:N operations - Flight route optimization - Traffic load-level control - Trajectory solutions with data link - Automated hazard avoidance for m:N operations - Traffic pattern integration (TPI) tool - Standard lost command and control (C2) link (LC2L) procedures - Automated hazard avoidance under LC2L - Auto-taxi, auto-takeoff, and auto-land - Ground control station (GCS) user interface for m:N operations The document attempts to link each of these solutions to one or more of the challenge areas. Novel solutions involving numerous automation technologies are needed to mitigate traffic and airspace management challenges, especially for realizing m:N operations and ensuring safety under LC2L conditions. The purpose of this document is to help understand alternatives and tradeoffs among potential solutions and provide a foundation for a cohesive PAAV concept that will be described and refined in subsequent concept versions.

Unmanned aircraft, uncrewed aircraft, regional air↗

MICCO: An Enhanced Multi-GPU Scheduling Framework for Many-Body Correlation Functions

Calculation of many-body correlation functions is one of the critical kernels utilized in many scientific computing areas, especially in Lattice Quantum Chromodynamics (Lattice QCD). It is formalized as a sum of a large number of contraction terms each of which can be represented by a graph consisting of vertices describing quarks inside a hadron node and edges designating quark propagations at specific time intervals. Due to its computation- and memory-intensive nature, real-world physics systems (e.g., multi-meson or multi-baryon systems) explored by Lattice QCD prefer to leverage multi-GPUs. Different from general graph processing, many-body correlation function calculations show two specific features: a large number of computation-/data-intensive kernels and frequently repeated appearances of original and intermediate data. The former results in expensive memory operations such as tensor movements and evictions. The latter offers data reuse opportunities to mitigate the data-intensive nature of many-body correlation function calculations. However, existing graph-based multi-GPU schedulers cannot capture these data-centric features, thus resulting in a sub-optimal performance for many-body correlation function calculations. To address this issue, this paper presents a multi-GPU scheduling framework, MICCO, to accelerate contractions for correlation functions particularly by taking the data dimension (e.g., data reuse and data eviction) into account. This work first performs a comprehensive study on the interplay of data reuse and load balance, and designs two new concepts: local reuse pattern and reuse bound to study the opportunity of achieving the optimal trade-off between them. Based on this study, MICCO proposes a heuristic scheduling algorithm and a machine-learning-based regression model to generate the optimal setting of reuse bounds. Specifically, MICCO is integrated into a real-world Lattice QCD system, Redstar, for the first time running on multiple GPUs. The evaluation demonstrates MICCO outperforms other state-of-art works, achieving up to 2.25× speedup in synthesized datasets, and 1.49× speedup in real-world correlation functions.

Wang, Qihan↗

Dual Impacts of Space Heating Electrification and Climate Change Increase Uncertainties in Peak Load Behavior and Grid Capacity Requirements in Texas

Around 60% of households in Texas currently rely on electricity for space heating. As decarbonization efforts increase, non‐electrified households could adopt electric heat pumps, significantly increasing peak (highest) electricity demand in winter. Simultaneously, anthropogenic climate change is expected to increase temperatures, the potential for summer heat waves, and associated electricity demand for cooling. Uncertainty regarding the timing and magnitude of these concurrent changes raises questions about how they will jointly affect the seasonality of peak demand, firm capacity requirements, and grid reliability. This study investigates the net effects of residential space heating electrification and climate change on long‐term demand patterns and load shedding potential, using climate change projections, a predictive load model, and a direct current optimal power flow (DCOPF) model of the Texas grid. Results show that full electrification of residential space heating by replacing existing fossil fuel use with higher efficiency heat pumps could significantly improve reliability under hotter futures. Less efficient heat pumps may result in more severe winter peaking events and increased reliability risks. As heating electrification intensifies, system planners will need to balance the potential for greater resource adequacy risk caused by shifts in seasonal peaking behavior alongside the benefits (improved efficiency and reductions in emissions).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A GPU-based compressible combustion solver for applications exhibiting disparate space and time scales

High-speed chemically active flows pose significant computational challenges due to their disparate space and time scales, with stiff chemistry often dominating simulation time. While modern scientific computing programs achieve exascale performance by leveraging graphics processing units (GPUs), existing GPU-based compressible combustion solvers face critical limitations in memory management, load balancing, and handling the highly localized nature of chemical reactions. To this end, we present a high-performance compressible reacting flow solver built on the AMReX framework and optimized for multi-GPU settings. Here, our approach addresses three GPU performance bottlenecks: memory access patterns through column-major storage optimization, computational workload variability via a bulk-sparse integration strategy for chemical kinetics, and multi-GPU load distribution for adaptive mesh refinement applications. The solver adapts existing matrix-based chemical kinetics formulations to multi-grid contexts. Using representative combustion applications, including 2D and 3D detonations and a 3D jet-in-crossflow configuration, we demonstrate 1.4–5× performance improvements over initial implementations on an in-house cluster of NVIDIA H100 GPUs, and near-ideal weak scaling on the Frontier supercomputer (Oak Ridge Leadership Computing Facility) with up to 1024 AMD Instinct MI250X GPUs. Roofline analysis reveals substantial improvements in arithmetic intensity for both convection (∼ 10 ×) and chemistry (∼ 4 ×) routines, confirming efficient utilization of GPU memory bandwidth and computational resources.

42 ENGINEERING↗

Peak Power Minimization for Commercial Thermostatically Controlled Loads in Multi-Unit Grid-Interactive Efficient Buildings

The load profiles of most commercial and industrial consumers are characterized by brief periods of very high power consumption followed by intervals of lower demand. To encourage such consumers to flatten their load profiles, power utilities in and around the world often levy a monthly demand charge (DC) on the peak demand measured over brief intervals. In this work, we consider the joint optimization of energy costs (EC) and the instantaneous peak power of a multi-unit building which uses a hydronic heating, ventilation and cooling (HVAC) system and responds to a demand response (DR) program. Despite the non-linear structure of the problem, we show how optimal solutions can be obtained efficiently using linear programming. Next, we study the power demand patterns resulting from our proposed strategy for thermostatically controlled loads (TCLs), and evaluate the strategy’s performance for various climate zones in the US, under both typical and atypical weather conditions. Finally, the results show that depending on the ambient conditions and the tariff structure, our strategy can result in utility bill savings of up to nearly 19% compared to the baseline. The results also indicate that our power control strategy can significantly reduce the instantaneous peak power consumption in commercial TCLs.

HVAC↗

Economic Dispatch Optimization of Multi-Unit SMR Site

With the increase of integration of variable renewable into the grid, grid resilience can be compromised without flexible electricity suppliers. Flexible operation of NPP can expand the scope of integration of new nuclear power plants in regions with high share of renewables. It also provides opportunity to increase profits through participation in ancillary services. In this research, NuScale modules are used as the case study. NuScale is an integrated pressurized water reactor with thermal power of 250 MWth. Having multiple units can provide higher flexibility in changing power levels and supplying the grid with electricity all year long. Additionally, load-following might perturbate the ordered sequence of refueling (every 24 months for NuScale). To maintain the 2 year refueling cycles, the loading patterns will need to be adjusted in a year-to-year basis, resulting in additional unnecessary costs. Another solution is to find the optimal outage schedule. This will also shift the focus of the planned outage to a more optimized predictive outages and maintenance. Results from short-term optimization (i.e., daily participation in energy and ancillary services markets) shows that average commitment to regulation down ancillary service markets during late night and early morning hours can increase revenues. Participating in upward reserves during pre-work commuting hours and early evening hours can also generate additional revenues due to high ramp up of electricity demand. Having multiple units at a single site can also help operate flexibly. Results from long-term optimization show that daily fluctuation in electric power is usually handled by few units while other units operate on base-load profile. It is possible to combine base-load operation with flexible operation to extend component remaining useful life in some units and find optimal outage schedule for the units.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

BULKI-Store v0.3.2

BULKI-Store is a distributed object storage system optimized for high-performance computing environments. Built with a Rust core and Python bindings, it efficiently manages scientific and machine learning datasets across HPC clusters. The system employs a client-server architecture with MPI integration, enabling seamless scaling on supercomputers like Perlmutter. BULKI-Store's object-oriented approach provides intuitive data organization with rich metadata support, contrasting with traditional file-based solutions. Key optimizations include selective checkpoint loading, unified checkpoint files, and object chunking for large data transfers. For machine learning workloads, BULKI-Store offers advantages through fine-grained access patterns, dynamic data sharing between training instances, and reduced memory pressure. Memory management features include strategic Python GC calls, minimized data copies, and batch processing capabilities. The system leverages Rayon's thread pool for asynchronous data prefetching and supports multiple CPU architectures (ARM64, x86, AMD, RISC-V). By combining performance optimizations with developer-friendly APIs, BULKI-Store addresses the complex data management challenges of modern HPC applications while maintaining compatibility across heterogeneous computing environments.

Zhang, Wei [Lawrence Berkeley National Laboratory ↗

Composite Reflective Absorptive IR-Blocking Filters Embedded in Metamaterial Antireflection Coated Silicon

Infrared (IR)-blocking filters are crucial for controlling the radiative loading on cryogenic systems and for optimizing the sensitivity of bolometric detectors in the far-IR. We present a new IR filter approach based on a combination of patterned frequency-selective structures on silicon and a thin (2575 micron thick) absorptive composite based on powdered reststrahlen absorbing materials. For a 300 K blackbody, this combination reflects approximately 50% of the incoming light and blocks greater than.99.8% of the total power with negligible thermal gradients and excellent low-frequency transmission. This allows a reduction in the IR thermal loading to negligible levels in a single cold filter. These composite filters are fabricated on silicon substrates, which provide excellent thermal transport laterally through the filter and ensure that the entire area of the absorptive filter stays near the bath temperature. A metamaterial antireflection coating cut into these substrates reduces in-band reflections to below 1%, and the in-band absorption of the powder mix is below 1% for signal bands below 750 GHz. This type of filter can be directly incorporated into silicon refractive optical elements.

Munson, C. D.↗

Quantification of Energy Cost Savings through Optimization and Control of Appliances within Smart Neighborhood Homes

Electric utilities are driving towards enabling automatic scheduling and control of the consumption pattern of appliances such as heating, ventilation, and air conditioning (HVAC) and water heater (WH) systems (e.g., through preheating and pre-cooling, etc.) within smart neighborhoods to minimize energy cost and peak load demand. Quantifying economic savings through direct comparison of the optimized energy usage profile on a specific day with the typical non-optimized usage profile on another day is not a fair comparison because energy usage highly depends on weather conditions and human behaviour especially appliance like HVAC on those days. In this paper, we propose a novel approach of identifying similar weather day pairs which can then be used to compare the energy use profiles within homes between the identified pairs. We then demonstrate how the proposed approach can be used to compute cost savings due to optimization and control of smart appliances at home and neighborhood-level within a future-focused smart neighborhood of 62 residential homes. We also demonstrate a simulation based approach to quantify cost savings and showcase our findings through customized and interactive visualizations.

Chinthavali, Supriya↗

On the Buckling of Imperfect Anisotropic Shells with Elastic Edge Supports Under Combined Loading Part I:: Theory and Numerical Analysis - Pt. 1

A rigorous solution is presented for the case of stiffened anisotropic cylindrical shells with general imperfections under combined loading, where the edge supports are provided by symmetrical or unsymmetrical elastic rings. The circumferential dependence is eliminated by a truncated Fourier series. The resulting nonlinear 2-point boundary value problem is solved numerically via the "Parallel Shooting Method". The changing deformation patterns resulting from the different degrees of interaction between the given initial imperfections and the specified end rings are displayed. Recommendations are made as to the minimum ring stiffnesses required for optimal load carrying configurations.

Arbocz, Johann↗