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At least 1,441 records · Page 80

Observable optimization for precision theory: machine learning energy correlators

The practice of collider physics typically involves the marginalization of multi-dimensional collider data to uni-dimensional observables relevant for some physics task. In many cases, such as classification or anomaly detection, the observable can be arbitrarily complicated, such as the output of a neural network. However, for precision measurements, the observable must correspond to something computable systematically beyond the level of current simulation tools. In this work, we demonstrate that precision-theory-compatible observable space exploration can be systematized by using neural simulation-based inference techniques from machine learning. We illustrate this approach by exploring the space of marginalizations of the energy 3-point correlator to optimize sensitivity to the top quark mass. We first learn the energy-weighted probability density from simulation, then search in the space of marginalizations for an optimal triangle shape. Although simulations and machine learning are used in the process of observable optimization, the output is an observable definition which can be then computed to high precision and compared directly to data without any memory of the computations which produced it. We find that the optimal marginalization is isosceles triangles on the sphere with a side ratio approximately $1 : 1 : \sqrt{2}$ (i.e. right triangles) within the set of marginalizations we consider.

Jets and Jet Substructure↗

Red-QAOA: Efficient Variational Optimization through Circuit Reduction

The Quantum Approximate Optimization Algorithm (QAOA) provides a quantum solution for combinatorial optimization problems. However, the optimal parameter searching process of QAOA is greatly affected by noise, leading to non-optimal solutions. This paper introduces a novel approach to optimize QAOA by exploiting the energy landscape concentration of similar instances via graph reduction, thus addressing the effect of noise. We formalize the notion of similar instances in QAOA and develop a Simulated Annealing-based graph reduction algorithm, called Red-QAOA, to identify the most similar subgraph for efficient parameter optimization. Red-QAOA outperforms state-of-the-art Graph Neural Network (GNN) based graph pooling techniques in performance and demonstrates effectiveness on a diverse set of real-world optimization problems encompassing 3200 graphs. Red-QAOA reduced the node counts and edge counts by 28% and 37%, respectively, while maintaining a low mean square error of 2%. These enable the identification of an optimal parameter set that is closer to the ideal true optimal solution in the presence of noise. By substantially streamlining the search for QAOA parameters, our approach sets the stage for the practical application of quantum algorithms in solving complex optimization problems.

Wang, Meng↗

Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report

The Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report outlines key insights and actionable recommendations for accelerating the scale-up of disruptive chemical manufacturing technologies. Convened in October 2024, the workshop brought together approximately fifty experts from academia, industry, national laboratories, and government agencies to address the barriers and solutions for maturing technologies from proof-of-concept to commercialization. The report identifies seven critical themes for enabling faster scale-up. These themes were explored through general discussions and breakout sessions focused on three specific chemical manufacturing technologies—electrochemical, thermochemical, and biological conversion processes. The findings emphasize the importance of interdisciplinary collaboration, robust funding mechanisms, and shared resources to overcome technical barriers and accelerate technology deployment. The report also highlights technology-specific challenges and opportunities, including the need for advanced materials, scalable manufacturing processes, and integrated testing environments. For electrochemical manufacturing processes, durability and material optimization are key priorities, while thermochemical processes require novel reactor designs and better supply chain integration. Biological conversion processes face hurdles in strain engineering, reactor design, and process integration. Across all technologies, the workshop emphasized the importance of leveraging computational tools, standardized protocols, and collaborative networks to address knowledge gaps and technical barriers. By acting on these insights, stakeholders can reduce the timeline for scaling up critical chemical manufacturing technologies, ensuring their timely impact on manufacturing competitiveness, and environmental sustainability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further the understanding of microstructural relationship to fracture properties of high strength 6000 series alloys.

36 MATERIALS SCIENCE↗

TRIIG - Time-lapse reproduction of images through interactive graphics

Description of the hardware and software implementing the system of time-lapse reproduction of images through interactive graphics (TRIIG). The system produces a quality hard copy of processed images in a fast and inexpensive manner. This capability allows for optimal development of processing software through the rapid viewing of many image frames in an interactive mode. Three critical optical devices are used to reproduce an image: an Optronics photo reader/writer, the Adage Graphics Terminal, and Polaroid Type 57 high speed film. Typical sources of digitized images are observation satellites, such as ERTS or Mariner, computer coupled electron microscopes for high-magnification studies, or computer coupled X-ray devices for medical research.

Buckner, J. D.↗

Optimal estimation for discrete time jump processes

Optimum estimates of nonobservable random variables or random processes which influence the rate functions of a discrete time jump process (DTJP) are obtained. The approach is based on the a posteriori probability of a nonobservable event expressed in terms of the a priori probability of that event and of the sample function probability of the DTJP. A general representation for optimum estimates and recursive equations for minimum mean squared error (MMSE) estimates are obtained. MMSE estimates are nonlinear functions of the observations. The problem of estimating the rate of a DTJP when the rate is a random variable with a probability density function of the form cx super K (l-x) super m and show that the MMSE estimates are linear in this case. This class of density functions explains why there are insignificant differences between optimum unconstrained and linear MMSE estimates in a variety of problems.

Vaca, M. V.↗

Optimal estimation for discrete time jump processes

Optimum estimates of nonobservable random variables or random processes which influence the rate functions of a discrete time jump process (DTJP) are derived. The approach used is based on the a posteriori probability of a nonobservable event expressed in terms of the a priori probability of that event and of the sample function probability of the DTJP. Thus a general representation is obtained for optimum estimates, and recursive equations are derived for minimum mean-squared error (MMSE) estimates. In general, MMSE estimates are nonlinear functions of the observations. The problem is considered of estimating the rate of a DTJP when the rate is a random variable with a beta probability density function and the jump amplitudes are binomially distributed. It is shown that the MMSE estimates are linear. The class of beta density functions is rather rich and explains why there are insignificant differences between optimum unconstrained and linear MMSE estimates in a variety of problems.

Vaca, M. V.↗

Optimality criteria design and stress constraint processing

Methods for pre-screening stress constraints into either primary or side-constraint categories are reviewed; a projection method, which is developed from prior cycle stress resultant history, is introduced as an additional screening parameter. Stress resultant projections are also employed to modify the traditional stress-ratio, side-constraint boundary. A special application of structural modification reanalysis is applied to the critical stress constraints to provide feasible designs that are preferable to those obtained by conventional scaling. Sample problem executions show relatively short run times and fewer design cycle iterations to achieve low structural weights; those attained are comparable to the minimum values developed elsewhere.

Levy, R.↗

Passive stabilization for large space systems

The optimal tuning of multiple tuned-mass dampers for the transient vibration damping of large space structures is investigated. A multidisciplinary approach is used. Structural dynamic techniques are applied to gain physical insight into absorber/structure interaction and to optimize specific cases. Modern control theory and parameter optimization techniques are applied to the general optimization problem. A design procedure for multi-absorber multi-DOF vibration damping problems is presented. Classical dynamic models are extended to investigate the effects of absorber placement, existing structural damping, and absorber cross-coupling on the optimal design synthesis. The control design process for the general optimization problem is formulated as a linear output feedback control problem via the development of a feedback control canonical form. The techniques are applied to sample micro-g and pointing problems on the NASA dual keel space station.

Sesak, J. R.↗

Scanning Probe Microscope to Map Thermal and Thermoelectric Properties of Combinatorial Materials

The combinatorial methodology offers a high-throughput process for developing radiation-resistant sensor materials for nuclear energy applications through the synthesis and screening of large numbers of compositions and processing conditions in a single process. The combinatorial materials fabrication coupled with an automated screening process enables us to identify the optimal materials composition and processing conditions that yield both desired properties and required irradiation resistance in the most efficient and economic manner. The report focuses on the development of scanning probe technique to map with high resolution the thermal conductivity, Seebeck coefficient and electrical conductivity of combinatory materials with gradient compositions, which has been a key challenge in combinatory materials science. The above three properties play important roles in many sensor materials for nuclear energy applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Combustion Performance and Emissions Optimization Through Integration of a Miniaturized High-Temperature Multi Process Monitoring System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution of wall conditions in utility boilers. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of a coal-fired utility boiler in this project but can be applied to many other industries and applications as well. The new sensor design, leveraging the existing electrochemical noise-based monitoring system, is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data can be transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

42 ENGINEERING↗

Synthetic Aperture Radar (SAR) data processing

The available and optimal methods for generating SAR imagery for NASA applications were identified. The SAR image quality and data processing requirements associated with these applications were studied. Mathematical operations and algorithms required to process sensor data into SAR imagery were defined. The architecture of SAR image formation processors was discussed, and technology necessary to implement the SAR data processors used in both general purpose and dedicated imaging systems was addressed.

Beckner, F. L.↗

Maturation of Additive Manufactured Aerospace Alloys and Development of Mechanical and Thermophysical Properties for Space Applications

The National Aeronautics and Space Administration (NASA) has been involved in the development and maturation of metal additive manufacturing (AM) for space applications since the late 2000’s. Several efforts have focused on the understanding of AM processes through design optimization, component fabrication, material characterization, testing, standards development, and infusion into propulsion development for flight applications. NASA and partners have matured commonly used aerospace alloys from various alloy families (Nickel, Steel, Iron, Aluminum, and Titanium) and AM processes. An extensive effort has been ongoing between NASA, industry partners, and academia to complete detailed AM process and heat treatment characterization, in addition to generating temperature-dependent mechanical and thermophysical properties. This presentation highlights the characterization and property results using laser powder bed fusion (L-PBF) and laser powder directed energy deposition (LP-DED) processes among various alloys. In addition to commonly used alloys, there is a need for ongoing AM optimized alloys using integrated computational materials engineering (ICME) and process development for high performance applications. The applications targeted are launch vehicles, liquid rocket engines, advanced propulsion systems, advanced power systems, and in-space propulsion with high heat fluxes, high pressure, and that utilize propellants such as hydrogen, which can degrade alloys. This presentation will also discuss some of the ongoing novel alloy development and maturation using AM for use in these harsh environments, such as GRCop-42, GRCop-84, NASA HR-1, and C-103. The results from these processes have demonstrated that AM can enable rapid development and new AM optimized alloys can yield higher performance. These alloys have undergone modeling, fundamental metallurgical evaluations, heat treatment studies, and microstructure characterization and mechanical testing campaigns. This, combined with direct application-specific component fabrication and hot-fire testing, can enable the increase of the Technology Readiness Level (TRL) through high duty-cycle testing. This presentation provides a background and overview of these various common and AM-enabled alloys and processing developments including the initial effort related to metallurgical, mechanical, and thermophysical property studies. It also covers the latest advancement in the parallel component development, hot-fire testing, and future developments for these alloys.

Additive Manufacturing↗

International Space Station Radiation Shielding Model Development

The projected radiation levels within the International Space Station (ISS) have been criticized by the Aerospace Safety Advisory Panel in their report to the NASA Administrator. Methods for optimal reconfiguration and augmentation of the ISS shielding are now being developed. The initial steps are to develop reconfigurable and realistic radiation shield models of the ISS modules, develop computational procedures for the highly anisotropic radiation environment, and implement parametric and organizational optimization procedures. The targets of the redesign process are the crew quarters where the astronauts sleep and determining the effects of ISS shadow shielding of an astronaut in a spacesuit. The ISS model as developed will be reconfigurable to follow the ISS. Swapping internal equipment rack assemblies via location mapping tables will be one option for shield optimization. Lightweight shield augmentation materials will be optimally fit to crew quarter areas using parametric optimization procedures to minimize the augmentation shield mass. The optimization process is being integrated into the Intelligence Synthesis Environment s (ISE s) immersive simulation facility at the Langley Research Center and will rely on High Performance Computing and Communication (HPCC) for rapid evaluation of shield parameter gradients.

Qualls, G. D.↗

Stress constraints in optimality criteria design

Procedures described emphasize the processing of stress constraints within optimality criteria designs for low structural weight with stress and compliance constraints. Prescreening criteria are used to partition stress constraints into either potentially active primary sets or passive secondary sets that require minimal processing. Side constraint boundaries for passive constraints are derived by projections from design histories to modify conventional stress-ratio boundaries. Other procedures described apply partial structural modification reanalysis to design variable groups to correct stress constraint violations of unfeasible designs. Sample problem results show effective design convergence and, in particular, advantages for reanalysis in obtaining lower feasible design weights.

Levy, R.↗