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At least 415 records · Page 23

Preparing MPICH for exascale

The advent of exascale supercomputers heralds a new era of scientific discovery, yet it introduces significant architectural challenges that must be overcome for MPI applications to fully exploit its potential. Among these challenges is the adoption of heterogeneous architectures, particularly the integration of GPUs to accelerate computation. Additionally, the complexity of multithreaded programming models has also become a critical factor in achieving performance at scale. The efficient utilization of hardware acceleration for communication, provided by modern NICs, is also essential for achieving low latency and high throughput communication in such complex systems. In response to these challenges, the MPICH library, a high-performance and widely used Message Passing Interface (MPI) implementation, has undergone significant enhancements. Here, this paper presents four major contributions that prepare MPICH for the exascale transition. First, we describe a lightweight communication stack that leverages the advanced features of modern NICs to maximize hardware acceleration. Second, our work showcases a highly scalable multithreaded communication model that addresses the complexities of concurrent environments. Third, we introduce GPU-aware communication capabilities that optimize data movement in GPU-integrated systems. Finally, we present a new datatype engine aimed at accelerating the use of MPI derived datatypes on GPUs. These improvements in the MPICH library not only address the immediate needs of exascale computing architectures but also set a foundation for exploiting future innovations in high-performance computing. By embracing these new designs and approaches, MPICH-derived libraries from HPE Cray and Intel were able to achieve real exascale performance on OLCF Frontier and ALCF Aurora respectively.

Guo, Yanfei [Argonne National Laboratory (ANL), Ar↗

Human Factors Operability Timeline Analysis to Improve the Processing Flow of the Orion Spacecraft

This slide presentation reviews the use of Human factors and timeline analysis to have a more efficient and effective processing flow. The solution involved developing a written timeline of events that included each activity within each functional flow block. Each activity had computer animation videos and pictures of the people involved and the hardware. The Human Factors Engineering Analysis Tool (HFEAT) was improved by modifying it to include the timeline of events. The HFEAT was used to define the human factors requirements and design solutions were developed for these requirements. An example of a functional flow block diagram is shown, and a view from one of the animations (i.e., short stack pallet) is shown and explained.

Stambolian, Damon B.↗

Additive Manufacturing of Silicon Carbide-Based Ceramic Matrix Composites: Technical Challenges and Opportunities

Advanced SiC-based ceramic matrix composites offer significant contributions toward reducing fuel burn and emissions by enabling high overall pressure ratio (OPR) of gas turbine engines and reducing or eliminating cooling air in the hot-section components, such as shrouds, combustor liners, vanes, and blades. Additive manufacturing (AM), which allows high value, custom designed parts layer by layer, has been demonstrated for metals and polymer matrix composites. However, there has been limited activity on additive manufacturing of ceramic matrix composites (CMCs). In this presentation, laminated object manufacturing (LOM), binder jet process, and 3-D printing approaches for developing ceramic composite materials are presented. For the laminated object manufacturing (LOM), fiber prepreg laminates were cut into shape with a laser and stacked to form the desired part followed by high temperature heat treatments. For the binder jet, processing optimization was pursued through silicon carbide powder blending, infiltration with and without SiC nano powder loading, and integration of fibers into the powder bed. Scanning electron microscopy was conducted along with XRD, TGA, and mechanical testing. Various technical challenges and opportunities for additive manufacturing of ceramics and CMCs will be presented.

ceramic matrix composites↗

CubeSub

This presentation introduces and discusses the development of the CubeSub submersible concept, an Autonomous Underwater Vehicle (AUV) designed around the CubeSat satellite form factor. The presented work is part of the author's MSc thesis in Aerospace Engineering at the Royal Institute of Technology, Stockholm, Sweden, and was performed during an internship at the Mission Design Division of the NASA Ames Research Center, Moffett Field, CA. Still in the early stages of its development, the CubeSub is to become a submersible test-bed for technology qualified for underwater and space environments. With the long-term goal of exploring the underwater environments in outer space, such as the alleged subsurface ocean of Jupiter's moon Europa, a number of technology and operational procedures must be developed and matured. To assist in this, the CubeSub platform is introduced as a tool to allow engineers and scientists to easily test qualified technology underwater. A CubeSat is a class of miniaturized satellite built to a standardized size. The base size is 1U (U for unit), corresponding to a 100 x 100 x 113.5 cu mm cube. A 1U CubeSat can in other words easily be held in one hand. Stacking units give larger satellite sizes such as the also commonly used 1.5U, 2U and 3U. The CubeSat standard is in itself already well established and hundreds of CubeSats have to date been launched into space. Compatible technology is readily available and the know-how exists in the space industry, all of which makes it a firm ground to stand on for the CubeSub. The rationale behind using the CubeSat form factor is to make use of this pre-existing foundation, making the CubeSub easy to develop, modular and readily available. It will thereby aid in the process of maturing the concept of a fully space qualified submersible headed for outer space. As a further clarification, the CubeSub is itself not meant for outer space, but to facilitate development of such a vessel. Along with its uses as a testbed, the CubeSub also holds the potential to become a useful tool for exploration and experimentation here on Earth. A highly standardized system utilizing well-known hardware can reduce the cost and required work load for researchers wishing to perform experiments and exploration. Users could design sensors and experiments to comply with the already well established CubeSat standard, which are then carried by the CubeSub to the region of interest. This in turn means that the end users can focus more on formulating the experiment itself and less about how to get it where they want it. The CubeSub is designed to be built up by modules, which can be assembled in different configurations to fulfill different needs. Each module will be powered individually and intermodular communication will be wireless, removing the need for wiring. The inside of the cylindrical hull will be flooded with ambient water to enhance the interaction between payloads and surrounding environment. The overall torpedo-like shape is similar to that of a conventional AUV, slender and smooth. This is to make for a low drag, reduce the risk of snagging on surrounding objects and make it possible to deploy through an ice sheet via a narrow borehole or navigate in tight areas. To keep costs low and further accelerate development, rapid prototyping is utilized wherever possible. Full-scale prototypes are being constructed through 3D-printing and using COTS (Commercial Off-The-Shelf) components. 3D-printing is used both for the largest hull components and the relatively small and delicate propellers. Arduino boards are used for control and internal communication

AUV↗

srMO-BO-3GP: A sequential regularized multi-objective Bayesian optimization for constrained design applications using an uncertain Pareto classifier

Bayesian optimization (BO) is an efficient and flexible global optimization framework that is applicable to a very wide range of engineering applications. To leverage the capability of the classical BO, many extensions, including multi-objective, multi-fidelity, parallelization, and latent-variable modeling, have been proposed to address the limitations of the classical BO framework. In this work, we propose a novel multi-objective BO formalism, called srMO-BO-3GP, to solve multi-objective optimization problems in a sequential setting. Three different Gaussian processes (GPs) are stacked together, where each of the GPs is assigned with a different task. The first GP is used to approximate a single-objective computed from the multi-objective definition, the second GP is used to learn the unknown constraints, and the third one is used to learn the uncertain Pareto frontier. At each iteration, a multi-objective augmented Tchebycheff function is adopted to convert multi-objective to single-objective, where the regularization with a regularized ridge term is also introduced to smooth the single-objective function. Finally, we couple the third GP along with the classical BO framework to explore the convergence and diversity of the Pareto frontier by the acquisition function for exploitation and exploration. The proposed framework is demonstrated using several numerical benchmark functions, as well as a thermomechanical finite element model for flip-chip package design optimization.

42 ENGINEERING↗

Low-Cost Intermediate-Temperature Fuel-Flexible Protonic-Ceramic Fuel Cell and Stack

Large, centralized power plants are currently the most efficient way to convert fuels such as natural gas to electricity. Fuel cells, however, could become highly efficient generators across a range of sizes from tens of watts to megawatts. In particular, fuel cells with an electrical efficiency of 50% could displace small generators of 25 kilowatts (kW) or less in applications such as remote power, telecommunications, and residential cogeneration. Current 25 kW natural gas generators employing internal combustion engines are typically only 25-30% efficient and expensive to maintain. Furthermore, fuel cells could provide valuable services to the grid, such as the ability to ramp power up or down in response to load conditions. While there are different types of fuel cells, each with their strengths and weaknesses, fuel cells generally are very expensive. For example, lower temperature fuel cells can be started up quickly, but require highly pure hydrogen fuel and expensive catalysts. High-temperature fuel cells can operate on a range of fuels, but they have costly system components and can degrade rapidly.

30 DIRECT ENERGY CONVERSION↗

Manipulating Growth and Propagation of Correlations in Dipolar Multilayers: From Pair Production to Bosonic Kitaev Models

Here, we study the nonequilibrium dynamics of dipoles confined in multiple stacked two-dimensional layers realizing a long-range interacting quantum spin 1/2 XXX model. We demonstrate that strong in-plane interactions can protect a manifold of collective layer dynamics. This then allows us to map the many-body spin dynamics to bosonic models. In a bilayer configuration we show how to engineer the paradigmatic two-mode squeezing Hamiltonian known from quantum optics, resulting in exponential production of entangled pairs and generation of metrologically useful entanglement from initially prepared product states. In multilayer configurations we engineer a bosonic variant of the Kitaev model displaying chiral propagation along the layer direction. Our study illustrates how the control over interactions, lattice geometry, and state preparation in interacting dipolar systems uniquely afforded by AMO platforms such as Rydberg and magnetic atoms, polar molecules, or trapped ions allows for the control over the temporal and spatial propagation of correlations for applications in quantum sensing and quantum simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evaluation of Frameworks for HSCT Design Optimization

This report is an evaluation of engineering frameworks that could be used to augment, supplement, or replace the existing FIDO 3.5 (Framework for Interdisciplinary Design and Optimization Version 3.5) framework. The report begins with the motivation for this effort, followed by a description of an "ideal" multidisciplinary design and optimization (MDO) framework. The discussion then turns to how each candidate framework stacks up against this ideal. This report ends with recommendations as to the "best" frameworks that should be down-selected for detailed review.

Krishnan, Ramki↗

Building on 50 Years of Systems Engineering Experience for a New Era of Space Exploration

Over the past 50 years, the National Aeronautics and Space Administration (NASA) has delivered space transportation solutions for America's complex missions, ranging from scientific payloads that expand knowledge, such as the Hubble Space Telescope, to astronauts and lunar rovers destined for voyages to the Moon. Currently, the venerable Space Shuttle, which has been in service since 1981, provides the United States (US) capability for both crew and heavy cargo to low-Earth orbit to construct the International Space Station, before the Shuttle is retired in 2010. In the next decade, NASA will replace this system with a duo of launch vehicles: the Ares I crew launch vehicle and the Ares V cargo launch vehicle. The goals for this new system include increased safety and reliability coupled with lower operations costs that promote sustainable space exploration for decades to come. The Ares I will loft the Orion crew exploration vehicle, while the heavy-lift Ares V will carry the Altair lunar lander, as well as the equipment and supplies needed to construct a lunar outpost for a new generation of human and robotic space pioneers. NASA's Marshall Space Flight Center manages the Shuttle's propulsion elements and is managing the design and development of the Ares rockets, along with a host of other engineering assignments in the field of scientific space exploration. Specifically, the Marshall Center's Engineering Directorate houses the skilled workforce and unique facilities needed to build capable systems upon the foundation laid by the Mercury, Gemini, Apollo, and Shuttle programs. This paper will provide details of the in-house systems engineering and vehicle integration work now being performed for the Ares I and planned for the Ares V. It will give an overview of the Ares I system-level testing activities, such as the ground vibration testing that will be conducted in the Marshall Center's Dynamic Test Stand to verify the integrated vehicle stack's structural integrity and to validate computer modeling and simulation, as well as the main propulsion test article analysis to be conducted in the Static Test Stand. Ultimately, fielding a robust space transportation solution that will carry international explorers and essential payloads will pave the way for a new era of scientific discovery now dawning beyond planet Earth.

Dumbacher, Daniel L.↗

Dialing in Direct Air Capture of CO 2 by Crystal Engineering of Bis-iminoguanidines

Direct air capture (DAC) technologies that extract carbon dioxide from the atmosphere via chemical processes have the potential to restore the atmospheric CO 2 concentration to an optimal level. This study elucidates structure-property relationships in DAC by crystallization of bis-iminoguanidine (BIG) carbonate salts. Here, their crystal structures are analyzed by X-ray and neutron diffraction to accurately measure key structural parameters including molecular conformations, hydrogen bonding, and π-stacking. Experimental measurements of key properties, such as aqueous solubilities and regeneration energies and temperatures, are complemented by first-principles calculations of lattice and hydration free energies, as well as free energies of reactions with CO 2 , and BIG regenerations. Minor structural modifications in the molecular structure of the BIGs are found to result in major changes in the crystal structures and the aqueous solubilities within the series, leading to enhanced DAC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

3-dimensional x-ray imager

The invention utilizes one exposure without moving parts to provide multiple x-ray views of an object. It relies on a 3D detector, which can be a stack of film plates, and a specified focusing x-ray optic. The x-ray optic, discussed below, allows collection of x-rays from a localized volume, just like an ordinary optical lens, and the stacked film plate, or other 3D detector design, allows collection of the multiple focal plane information from one line of sight.

36 MATERIALS SCIENCE↗

High-throughput detection of T-DNA insertion sites for multiple transgenes in complex genomes

Abstract Background Genetic engineering of crop plants has been successful in transferring traits into elite lines beyond what can be achieved with breeding techniques. Introduction of transgenes originating from other species has conferred resistance to biotic and abiotic stresses, increased efficiency, and modified developmental programs. The next challenge is now to combine multiple transgenes into elite varieties via gene stacking to combine traits. Generating stable homozygous lines with multiple transgenes requires selection of segregating generations which is time consuming and labor intensive, especially if the crop is polyploid. Insertion site effects and transgene copy number are important metrics for commercialization and trait efficiency. Results We have developed a simple method to identify the sites of transgene insertions using T-DNA-specific primers and high-throughput sequencing that enables identification of multiple insertion sites in the T 1 generation of any crop transformed via Agrobacterium . We present an example using the allohexaploid oil-seed plant Camelina sativa to determine insertion site location of two transgenes. Conclusion This new methodology enables the early selection of desirable transgene location and copy number to generate homozygous lines within two generations.

59 BASIC BIOLOGICAL SCIENCES↗

High-Fidelity Simulations of a Mach 9 Shock-Turbulent Boundary Layer Interaction

High-fidelity large-eddy simulations (LES) and wall-modeled large-eddy simulations (WMLES) are performed on the interaction of a Mach 9 turbulent boundary layer with a 34-degree compression ramp. Our primary interest is the sensitivity of mean and unsteady wall quantities to grid density. Additionally within the context of WMLES, we seek to explore solution sensitivity to the wall-model exchange location.

42 ENGINEERING↗

Hybrid Fuel Cell Systems for Heavy-Duty Trucks: Configuration, Heat Rejection, and Performance

Low-temperature polymer electrolyte membrane fuel cell systems can achieve higher efficiency than diesel engines, but heat rejection remains a major challenge in class-8 heavy-duty fuel cell trucks. For the same rated power, the radiator heat load is greater than that in a diesel engine, while the allowable operating temperatures are lower. This work proposes and evaluates 400 kWe fuel cell–battery hybrid (FCH) platforms and operating strategies that manage heat rejection without enlarging the radiator frontal area. Three FCH platforms are identified, each varying in fuel cell system (FCS) rated power, battery energy storage system (ESS) capacity, and maximum stack coolant exit temperature (T h1 ). All three satisfy key system and vehicle requirements, including 175 kWe FCS power at top sustained speed, 400 kWe FCH power on a 6% grade climb, a target stack power density (PD) of 750 mW e /cm 2 , and heat rejection constraints. The first FCH has the smallest FCS, the largest ESS, and a T h1 of 90 °C. The second achieves the highest PD of 840 mW e /cm 2 at a T h1 of 95 °C. The third has the largest FCS, the smallest ESS, and a T h1 of 102 °C. At a Th1 of 115 °C, the platform can be configured as a stand-alone 400 kWe(net) FCS without hybridization, but the achievable PD drops to 460 mW e /cm 2 .

25 ENERGY STORAGE↗

PERLE A ‘STEPPING STONE’ FOR THE NEXT GENERATION ERLS

PERLE (Powerful ERL for Experiments) is a novel Energy Recovery Linac (ERL) test facility, which has been designed to validate choices for a 50 GeV ERL foreseen in the design of the LHeC and the FCC-eh, and to later serve a set of dedicated nuclear and particle physics experiments. Its main thrust is to probe high current, continuous wave (CW), multi-pass operation with superconducting cavities at 802 MHz (and perhaps testing other frequencies of interest). With very high transient beam power (~10 MW), PERLE offers an opportunity for controllable study of every beam dynamic effect of interest in the next generation of ERL design and become a ?stepping stone? between present state-of-art 1 MW ERLs and future 100 MW scale applications. PERLE design features flexible momentum compaction lattice architecture for six vertically stacked return arcs and a high current, 7 MeV, photo-injector. With only one pair of four cavity cryomodules, 500 MeV beam energy can be reached in three re-circulation passes, with beam currents of about 20 mA. The beam is decelerated in three consecutive passes back to the injection energy. Work on the engineering design of PERLE has just begun.

Bogacz, S.↗

FLUKA simulation validation to measure the beam energy of a cyclotron

FLUKA is a fully integrated particle physics MonteCarlo simulation package which has many applications in high energy experimental physics and engineering. When using a cyclotron for medical radionuclide production, it is important to know that the beam energy is suitable to cause the intended nuclear reaction and minimize unwanted impurities. Here, this work focuses on the comparison of FLUKA as a tool to measure the beam energy of a cyclotron with experimental results using the method of stacked copper foils interspaced by an aluminum degrader. We compared two methods to determine the activity ratio: determining the activity in each foil using the experimentally measured cross-sections from the National Nuclear Data Center (NNDC) cross-section data and calculating the activity in the two Cu foils using the FLUKA program. These results were compared to those reported by Gagnon et al., 2011. The FLUKA results gave energy measurements that were different than the true energy by a percentage in the range of 2.4% to 13%, suggesting that FLUKA is not recommended for pre-calculating the cyclotron beam energy using these low Z materials without experimental confirmation. It also confirms that the experimental cross-section data from the NNDC database is superior for this application giving energy values that ranged from 0.1% to 1.6% from the true energy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Atomic-scale visualization of defect-induced localized vibrations in GaN

Phonon engineering is crucial for thermal management in GaN-based power devices, where phonon-defect interactions limit performance. However, detecting nanoscale phonon transport constrained by III-nitride defects is challenging due to limited spatial resolution. Here, we used advanced scanning transmission electron microscopy and electron energy loss spectroscopy to examine vibrational modes in a prismatic stacking fault in GaN. By comparing experimental results with ab initio calculations, we identified three types of defect-derived modes: localized defect modes, a confined bulk mode, and a fully extended mode. Additionally, the PSF exhibits a smaller phonon energy gap and lower acoustic sound speeds than defect-free GaN, suggesting reduced thermal conductivity. Our study elucidates the vibrational behavior of a GaN defect via advanced characterization methods and highlights properties that may affect thermal behavior.

36 MATERIALS SCIENCE↗

Thermal stability and diffusion characteristics of ultrathin amorphous carbon films grown on crystalline and nitrogenated silicon substrates by filtered cathodic vacuum arc deposition

Amorphous carbon (a-C) films are widely used as protective overcoats in many technology sectors, principally due to their excellent thermophysical properties and chemical inertness. The growth and thermal stability of sub-5-nm-thick a-C films synthesized by filtered cathodic vacuum arc on pure (crystalline) and nitrogenated (amorphous) silicon substrate surfaces were investigated in this study. Samples of a-C/Si and a-C/SiN x /Si stacks were thermally annealed for various durations and subsequently characterized by high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The TEM images confirmed the continuity and uniformity of the a-C films and the 5-nm-thick SiN x underlayer formed by silicon nitrogenation using radio-frequency sputtering. The EELS analysis of cross-sectional samples revealed the thermal stability of the a-C films and the efficacy of the SiNx underlayer to prevent carbon migration into the silicon substrate, even after prolonged heating. The obtained results provide insight into the important attributes of an underlayer in heated multilayered media for preventing elemental intermixing with the substrate, while preserving the structural stability of the a-C film at the stack surface. An important contribution of this investigation is the establishment of an experimental framework for accurately assessing the thermal stability and elemental diffusion in layered microstructures exposed to elevated temperatures.

42 ENGINEERING↗