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At least 631 records · Page 35

Optimization of moisture content for wheat seedling germination in a cellulose acetate medium for a space flight experiment

The Porous Tube Plant Nutrient Delivery System (PTPNDS), a hydrophilic, microporous ceramic tube hydroponic system designed for microgravity, will be tested in a middeck locker of the Space Shuttle. The flight experiment will focus on hardware operation and assess its ability to support seed germination and early seedling growth in microgravity. The water controlling system of the PTPNDS hardware has been successfully tested during the parabolic flight of the KC-135. One challenge to the development of the space flight experiment was to devise a method of holding seeds to the cylindrical porous tube. The seed-holder must provide water and air to the seed, absorb water from the porous tube, withstand sterilization, provide a clear path for shoots and roots to emerge, and be composed of flight qualified materials. In preparation for the flight experiment, a wheat seed-holder has been designed that utilizes a cellulose acetate plug to facilitate imbibition and to hold the wheat seeds in contact with the porous tube in the correct orientation during the vibration of launch and the microgravity environment of orbit. Germination and growth studies with wheat at a range of temperatures showed that optimal moisture was 78% (by weight) in the cellulose acetate seed holders. These and other design considerations are discussed.

NASA Discipline Number 61-20↗

AIC Computations Using Navier-Stokes Equations on Single Image Supercomputers For Design Optimization

A procedure to accurately generate AIC using the Navier-Stokes solver including grid deformation is presented. Preliminary results show good comparisons between experiment and computed flutter boundaries for a rectangular wing. A full wing body configuration of an orbital space plane is selected for demonstration on a large number of processors. In the final paper the AIC of full wing body configuration will be computed. The scalability of the procedure on supercomputer will be demonstrated.

Guruswamy, Guru↗

Pu(IV) quantification via visible–near-infrared absorption spectroscopy: tackling interferences using D-optimal design and partial least squares

Here, this study presents a novel analytical approach for quantifying Pu(IV) in glove box environments using fiber-optic-based visible–near-infrared absorption spectroscopy in combination with partial least squares regression (PLSR) and design of experiments. The method addresses significant challenges posed by overlapping spectral features arising from Nd(III), which is a common fission product impurity, and the speciation variability of Pu(IV) nitrato complexes in HNO 3 concentrations ranging from 2.5 to 11 M. A curated training set consisting of data from 20 samples was developed via D-optimal design to enable robust PLSR model calibration for Pu(IV) using the near-infrared band near 1050 nm. The training set was acquired from samples in cuvettes with a 1-cm path length and was used to build the PLSR model. The robustness of the model was validated with data collected using a dip probe with a 1-cm path length and varying Pu(IV) concentrations. The strong performance of the model indicates good model transfer from cuvette to dip probe and highlights the potential for in situ measurements and online monitoring of reactions in a crystallization reactor vessel. The results demonstrate that this combined spectroscopic and chemometric approach can accurately and simultaneously quantify Pu(IV) and HNO 3 , thereby offering a promising tool for real-time monitoring in process environments.

Actinide↗

Determining Multi-Component Phase Diagrams with Desired Characteristics Using Active Learning

Herein, we demonstrate how to predict and experimentally validate phase diagrams for multi-component systems from a high-dimensional virtual space of all possible phase diagrams involving several elements based on small existing experimental data. The experimental data for bulk phases for known systems represents a sampling from this space, and screening the space allows multi-component phase diagrams with given design criteria to be built. This approach uses machine learning methods to predict phase diagrams and Bayesian experimental design to minimize experiments for refinement and validation, all within an active learning loop. The approach is proven by predicting and synthesizing the ferroelectric ceramic system (1-ω)(Ba 0.61 Ca 0.28 Sr 0.11 TiO 3 )-ω(BaTi 0.888 Zr 0.0616 Sn 0.0028 Hf 0.0476 O 3 ) with a relatively high transition temperature and triple point, as well as the NiTi-based pseudo-binary phase diagram (1-ω)(Ti 0.309 Ni 0.485 Hf 0.20 Zr 0.006 )-ω(Ti 0.309 Ni 0.485 Hf 0.07 Zr 0.068 Nb 0.068 ) designed for high transition temperature (ω ≤ 1). Each phase diagram is validated and optimized through only three new experiments. The complexity of these compounds is beyond the reach of today’s computational methods.

36 MATERIALS SCIENCE↗

Fluidic Chevrons for Jet Noise Reduction

Chevron mixing devices are used to reduce noise from commercial separate-flow turbofan engines. Mechanical chevron serrations at the nozzle trailing edge generate axial vorticity that enhances jet plume mixing and consequently reduces far-field noise. Fluidic chevrons generated with air injected near the nozzle trailing edge create a vorticity field similar to that of the mechanical chevrons and allow more flexibility in controlling acoustic and thrust performance than a passive mechanical design. In addition, the design of such a system has the future potential for actively controlling jet noise by pulsing or otherwise optimally distributing the injected air. Scale model jet noise experiments have been performed in the NASA Langley Low Speed Aeroacoustic Wind Tunnel to investigate the fluidic chevron concept. Acoustic data from different fluidic chevron designs are shown. Varying degrees of noise reduction are achieved depending on the injection pattern and injection flow conditions. CFD results were used to select design concepts that displayed axial vorticity growth similar to that associated with mechanical chevrons and qualitatively describe the air injection flow and the impact on acoustic performance.

Kinzie, Kevin↗

Perspectives on Polyolefin Catalysis in Microfluidics for High-Throughput Screening: A Minireview

Polyolefins are the largest produced plastics in the world which traditionally employ continuous stirred tank reactors and fluidized bed reactors for commercial production. The operating condition, reaction kinetics, and molecular interactions inside the reactor strongly affect the polyolefin properties, which require stringent process control in conventional procedures. Understanding the catalytic pathway, behavior of polymer particles and effect of reactor conditions are essential for designing specific polymer properties, namely the molecular weight, chain length, polydispersity, etc. Microfluidics can play a significant role in designing polymers tailored to the user needs. Smaller channel dimensions help obtain uniform reaction conditions over the length of the microfluidic reactor in a controlled environment. With real-time monitoring techniques in microfluidics, even single particle growth of polymer can be studied to understand the parameters affecting the polymer properties. High throughput microfluidics can help catalyst screening in a short duration with less consumption of reagents generating less waste. When supplemented with efficient machine learning algorithms, automated high throughput microfluidics has the potential to rapidly optimize the process and develop new knowledge even with a limited data set. When trained on data sets generated using microfluidic experiments that are designed efficiently with working knowledge of the process, machine learning algorithms can provide the relationship between the multivariable parameters space and polymer properties, which is not possible with the traditional statistical methods and interpolation techniques. Here, the rise in the utilization of microfluidics, with the advancement of machine learning algorithms, for polyolefin catalysis, highlights the importance of microfluidics for catalyst discovery, parameter optimization, and understanding reaction pathway for producing polymers with specific properties for specialized applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transportation analysis and related design optimization of the Fermilab high-beta 650 MHz cryomodule

The Proton Improvement Plan-II (PIP-II) at Fermi National Accelerator Laboratory (FNAL) will create a new and vastly improved accelerator, which will be the source of high-energy particles for the experiments taking place at FNAL. The new linear accelerator (LINAC) contains several types of cryomodules, which are individual particle accelerators. The last cryomodule in the LINAC will be the High-Beta 650 (HB650), which will operate at 650 MHz. Each module is approximately 15 meters in length and 1.5 meters wide, weighs 13 tonnes, and shares many design features with three of the other cryomodules. The HB650 consists of two primary sections, the outer vacuum vessel and the components that reside within it, which will be cooled to cryogenic temperatures – the cold mass. Once assembly is complete at FNAL, it will be transported to one of three places: another location at FNAL, another national laboratory within the continental United States, or to a scientific partner in Europe. Any excitation the module experiences, such as going over rough roads when on a semitrailer, can create high stresses in components and cause failure if severe enough. Additionally, any delicate components with low resonant frequencies that match the excitation spectrum could achieve resonance, potentially causing a fatigue failure by repeated flexing. To ensure the successful transportation of the HB650, a transport analysis utilizing ANSYS simulation software has been performed on major subassemblies, as well as analysis of the subassemblies as a combined system. The optimization of components, design of support structures, and overall increasing of the lowest resonant frequencies have resulted in a cryomodule that will be better equipped to handle transportation and any large impact loads that come with it.

43 PARTICLE ACCELERATORS↗

Holistic fleet optimization incorporating system design considerations

The methodology described in this article enables a type of holistic fleet optimization that simultaneously considers the composition and activity of a fleet through time as well as the design of individual systems within the fleet. Often, real-world system design optimization and fleet-level acquisition optimization are treated separately due to the prohibitive scale and complexity of each problem. Importantly, this means that fleet-level schedules are typically limited to the inclusion of predefined system configurations and are blind to a rich spectrum of system design alternatives. Similarly, system design optimization often considers a system in isolation from the fleet and is blind to numerous, complex portfolio-level considerations. In reality, these two problems are highly interconnected. To properly address this system-fleet design interdependence, we present a general method for efficiently incorporating multi-objective system design trade-off information into a mixed-integer linear programming (MILP) fleet-level optimization. This work is motivated by the authors' experience with large-scale DOD acquisition portfolios. However, the methodology is general to any application where the fleet-level problem is a MILP and there exists at least one system having a design trade space in which two or more design objectives are parameters in the fleet-level MILP.

97 MATHEMATICS AND COMPUTING↗

Optimal Experimental Design for Inverse Problems in the Presence of Observation Correlations

Optimal experimental design (OED) is the general formalism of sensor placement and decisions on the data collection strategy for engineered or natural experiments. This problem is prevalent in many critical fields such as battery design, numerical weather prediction, geosciences, environmental and urban studies. State-of-the-art computational methods for experimental design do not accommodate correlation structure in observational errors produced by many expensive-to-operate devices such as X-ray machines, radars, and satellites. Discarding evident data correlations leads to biased results, higher expenses, and waste of valuable resources. We present a general formulation of the OED formalism for model-constrained large-scale Bayesian linear inverse problems, where measurement errors are generally correlated. The proposed approach utilizes the Hadamard product of matrices to formulate the weighted-likelihood, and is valid for both finite as well as infinite-dimensional Bayesian inverse problems. Extensive numerical experiments are carried out for empirical verification of the proposed approach using an advection-diffusion model, where the objective is to optimally place a small set of sensors, under a limited budget, to predict the concentration of a contaminant in a closed and bounded domain.

Correlated observations↗

The Manufacturing Data and Machine Learning Platform: Enabling Real-time Monitoring and Control of Scientific Experiments via IoT

IoT devices and sensor networks present new opportunities for measuring, monitoring, and guiding scientific experiments. Sensors, cameras, and instruments can be combined to provide previously unachievable insights into the state of ongoing experiments. However, IoT devices can vary greatly in the type, volume, and velocity of data they generate, making it challenging to fully realize this potential. Indeed, synergizing diverse IoT data streams in near-real time can require the use of machine learning (ML). In addition, new tools and technologies are required to facilitate the collection, aggregation, and manipulation of sensor data in order to simplify the application of ML models and in turn, fully realize the utility of IoT devices in laboratories. Here we will demonstrate how the use of the Argonne-developed Manufacturing Data and Machine Learning (MDML) platform can analyze and use IoT devices in a manufacturing experiment. MDML is designed to standardize the research and operational environment for advanced data analytics and AI-enabled automated process optimization by providing the infrastructure to integrate AI in cyber-physical systems for in situ analysis. We will show that MDML is capable of processing diverse IoT data streams, using multiple computing resources, and integrating ML models to guide an experiment.

Machine Learning↗

ATTDES: An Expert System for Satellite Attitude Determination and Control

The design, analysis, and flight operations of satellite attitude determintion and attitude control systems require extensive mathematical formulations, optimization studies, and computer simulation. This is best done by an analyst with extensive education and experience. The development of programs such as ATTDES permit the use of advanced techniques by those with less experience. Typical tasks include the mission analysis to select stabilization and damping schemes, attitude determination sensors and algorithms, and control system designs to meet program requirements. ATTDES is a system that includes all of these activities, including high fidelity orbit environment models that can be used for preliminary analysis, parameter selection, stabilization schemes, the development of estimators covariance analyses, and optimization, and can support ongoing orbit activities. The modification of existing simulations to model new configurations for these purposes can be an expensive, time consuming activity that becomes a pacing item in the development and operation of such new systems. The use of an integrated tool such as ATTDES significantly reduces the effort and time required for these tasks.

Mackison, Donald L.↗

Further Development of an Optimal Design Approach Applied to Axial Magnetic Bearings

Classical design methods involved in magnetic bearings and magnetic suspension systems have always had their limitations. Because of this, the overall effectiveness of a design has always relied heavily on the skill and experience of the individual designer. This paper combines two approaches that have been developed to aid the accuracy and efficiency of magnetostatic design. The first approach integrates classical magnetic circuit theory with modern optimization theory to increase design efficiency. The second approach uses loss factors to increase the accuracy of classical magnetic circuit theory. As an example, an axial magnetic thrust bearing is designed for minimum power.

Bloodgood, V. Dale, Jr.↗

FEM modeling of plastic flow and strain-induced phase transformation in BN under high pressure and large shear in a rotational diamond anvil cell

In this study, combined three-dimensional plastic flow and strain-induced phase transformation (PT) in boron nitride (BN) under high pressure and large shear in a rotational diamond anvil cell (rotational DAC or RDAC) are investigated. Geometrically nonlinear frameworks including finite elastic, transformational, and plastic deformations and finite element method (FEM) are utilized. Quantitative information is obtained on the evolutions of the stress tensor, plastic strain, volume fraction of phases in the entire sample, and slip-cohesion transitions, all during torsion under a fixed compressive load in RDAC. The effects of the applied compressive stress and the sample radius on PT and plastic flow are discussed. In comparison with DAC, the same amount of the high-pressure phase can be obtained at a much lower pressure in RDAC, which reduces the required force and the risk of diamond fracture. Also, RDAC has a potential to complete PT during torsion under pressure close to the minimum possible. A quasi-homogeneous pressure can be obtained in a transforming sample in RDAC under a proper choice of properties and parameters of a gasket. A number of experimental phenomena, including the pressure self-multiplication and quasi-homogeneous pressures in DAC and RDAC, are reproduced and interpreted. Finally, the simulation results provide a significant insight into coupled PTs and plastic flow in material in RDAC, and are important for the optimum design of experiments and the extraction of material parameters for PT, as well as for the optimization and control of PTs by the variation of various parameters.

36 MATERIALS SCIENCE↗

Mining Materials Design Rules from Data: The Example of Polymer Dielectrics

Mining of currently available and evolving materials databases to discover structure–chemistry–property relationships is critical to developing an accelerated materials design framework. The design of new and advanced polymeric dielectrics for capacitive energy storage has been hampered by the lack of sufficient data encompassing wide enough chemical spaces. Here, data mining and analysis techniques are applied on a recently presented computational data set of around 1100 organic polymers, organometallic polymers, and related molecular crystals, in order to obtain qualitative understanding of the origins of dielectric and electronic properties. By probing the relationships between crucial chemical and structural features of materials and their dielectric constant and band gap, design rules are devised for optimizing either property. Learning from this data set provides guidance to experiments and to future computations, as well as a way of expanding the pool of promising polymer candidates for dielectric applications.

36 MATERIALS SCIENCE↗

Parallelized Kalman-Filter-Based Reconstruction of Particle Tracks on Many-Core Processors and GPUs

For over a decade now, physical and energy constraints have limited clock speed improvements in commodity microprocessors. Instead, chipmakers have been pushed into producing lower-power, multi-core processors such as Graphical Processing Units (GPU), ARM CPUs, and Intel MICs. Broad-based efforts from manufacturers and developers have been devoted to making these processors user-friendly enough to perform general computations. However, extracting performance from a larger number of cores, as well as specialized vector or SIMD units, requires special care in algorithm design and code optimization. One of the most computationally challenging problems in high-energy particle experiments is finding and fitting the charged-particle tracks during event reconstruction. This is expected to become by far the dominant problem at the High-Luminosity Large Hadron Collider (HL-LHC), for example. Today the most common track finding methods are those based on the Kalman filter. Experience with Kalman techniques on real tracking detector systems has shown that they are robust and provide high physics performance. This is why they are currently in use at the LHC, both in the trigger and offine. Previously we reported on the significant parallel speedups that resulted from our investigations to adapt Kalman filters to track fitting and track building on Intel Xeon and Xeon Phi. Here, we discuss our progresses toward the understanding of these processors and the new developments to port the Kalman filter to NVIDIA GPUs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Unbalanced Parallel I/O: An Often-Neglected Side Effect of Lossy Scientific Data Compression

Lossy compression techniques have demonstrated promising results in significantly reducing the scientific data size while guaranteeing the compression error bounds. However, one important yet often neglected side effect of lossy scientific data compression is its impact on the performance of parallel I/O. Our key observation is that the compressed data size is often highly skewed across processes in lossy scientific compression. To understand this behavior, we conduct extensive experiments where we apply three lossy compressors MGARD, ZFP, and SZ, which are specifically designed and optimized for scientific data, to three real-world scientific applications Gray-Scott simulation, WarpX, and XGC. Our analysis result demonstrates that the size of the compressed data is always skewed even if the original data is evenly decomposed among processes. Such skewness widely exists in different scientific applications using different compressors as long as the information density of the data varies across processes. We then systematically study how this side effect of lossy scientific data compression impacts the performance of parallel I/O. We observe that the skewness in the sizes of the compressed data often leads to I/O imbalance, which can significantly reduce the efficiency of I/O bandwidth utilization if not properly handled. In addition, writing data concurrently to a single shared file through MPI-IO library is more sensitive to the unbalanced I/O loads. Therefore, we believe our research community should pay more attention to the unbalanced parallel I/O caused by lossy scientific data compression.

Wang, Xinying↗

Methods and Results for Quantum Optimal Pulse Control on Superconducting Qubit Systems

The effective use of current Noisy Intermediate-Scale Quantum (NISQ) devices is often limited by the noise which is caused by interaction with the environment and affects the fidelity of quantum gates. In transmon qubit systems, the quantum gate fidelity can be improved by applying control pulses that can minimize the effects of the environmental noise. In this work, we employ physics-guided quantum optimal control strategies to design optimal pulses driving quantum gates on superconducting qubit systems. We test our results by conducting experiments on the IBM quantum hardware using their OpenPulse API. We compare the performance of our pulse-optimized quantum gates against the default quantum gates and show that the optimized pulses improve the fidelity of the quantum gates, in particular the single-qubit gates. Here we discuss the challenges we encountered in our work and point to possible future improvements.

97 MATHEMATICS AND COMPUTING↗

Contributions to the study of ultrasonic machining

Problems in the industrial application of ultrasounds are discussed. Starting from the industrial characteristics of ultrasonic working, especially of hard and fragile materials that are difficult to work by means of conventional methods, the characteristics of the feed system, the circulation system of the abrasive suspension, and the ultra-acoustic unit of machines for ultrasonic working are described. Experiments on the behavior of different types of ultra-acoustic unit design and on the optimal operating conditions connected with the manner of execution, fixation, and excitation conditions are analyzed.

Savii, G.↗