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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23

Searching for Physics Beyond the Standard Model: Strongly-Coupled Field Theories at the Intensity and Energy Frontiers

This proposal is to develop the software and algorithmic infrastructure needed for the numerical study of quantum chromodynamics (QCD), and of theories that have been proposed to describe physics beyond the Standard Model (BSM) of high energy physics, on current and future computers. This infrastructure will enable users (1) to improve the accuracy of QCD calculations to the point where they no longer limit what can be learned from high-precision experiments that seek to test the Standard Model, and (2) to determine the predictions of BSM theories in order to understand which of them are consistent with the data that will soon be available from the LHC. Work will include the extension and optimizations of community codes for the next generation of leadership class computers, the IBM Blue Gene/Q and the Cray XE/XK, and for the dedicated hardware funded for our field by the Department of Energy. Members of our collaboration at Brookhaven National Laboratory and Columbia University worked on the design of the Blue Gene/Q, and have begun to develop software for it. Under this grant we will build upon their experience to produce high-efficiency production codes for this machine. Cray XE/XK computers with many thousands of GPU accelerators will soon be available, and the dedicated commodity clusters we obtain with DOE funding include growing numbers of GPUs. We will work with our partners in NVIDIA's Emerging Technology group to scale our existing software to thousands of GPUs, and to produce highly efficient production codes for these machines. Work under this grant will also include the development of new algorithms for the effective use of heterogeneous computers, and their integration into our codes. It will include improvements of Krylov solvers and the development of new multigrid methods in collaboration with members of the FASTMath SciDAC Institute, using their HYPRE framework, as well as work on improved symplectic integrators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

SU-D-BRB-02: Combining a Commercial Autoplanning Engine with Database Dose Predictions to Further Improve Plan Quality

Purpose: Database dose predictions and a commercial autoplanning engine both improve treatment plan quality in different but complimentary ways. The combination of these planning techniques is hypothesized to further improve plan quality. Methods: Four treatment plans were generated for each of 10 head and neck (HN) and 10 prostate cancer patients, including Plan-A: traditional IMRT optimization using clinically relevant default objectives; Plan-B: traditional IMRT optimization using database dose predictions; Plan-C: autoplanning using default objectives; and Plan-D: autoplanning using database dose predictions. One optimization was used for each planning method. Dose distributions were normalized to 95% of the planning target volume (prostate: 8000 cGy; HN: 7000 cGy). Objectives used in plan optimization and analysis were the larynx (25%, 50%, 90%), left and right parotid glands (50%, 85%), spinal cord (0%, 50%), rectum and bladder (0%, 20%, 50%, 80%), and left and right femoral heads (0%, 70%). Results: All objectives except larynx 25% and 50% resulted in statistically significant differences between plans (Friedman’s χ{sup 2} ≥ 11.2; p ≤ 0.011). Maximum dose to the rectum (Plans A-D: 8328, 8395, 8489, 8537 cGy) and bladder (Plans A-D: 8403, 8448, 8527, 8569 cGy) were significantly increased. All other significant differences reflected a decrease in dose. Plans B-D were significantly different from Plan-A for 3, 17, and 19 objectives, respectively. Plans C-D were also significantly different from Plan-B for 8 and 13 objectives, respectively. In one case (cord 50%), Plan-D provided significantly lower dose than plan C (p = 0.003). Conclusion: Combining database dose predictions with a commercial autoplanning engine resulted in significant plan quality differences for the greatest number of objectives. This translated to plan quality improvements in most cases, although special care may be needed for maximum dose constraints. Further evaluation is warranted in a larger cohort across HN, prostate, and other treatment sites. This work is supported by Philips Radiation Oncology Systems.

60 APPLIED LIFE SCIENCES↗

Rational Optimization of Microbial Processing for High Yield CO 2 -to-Isopropanol Conversion: Cooperative Research and Development Final Report, CRADA Number CRD-20-17114

This project focuses on the production of the fuel blendstock isopropanol using a CO 2 -fixing Clostridium by metabolic engineering and process optimizations. The project will initiate from a baseline isopropanol producer and pursue isopropanol production at high carbon-conversion efficiency. We will lead engineering work by in-depth pathway analyses including thermodynamics optimization, enzyme expense analysis, metabolic robustness analysis, and -omics analysis. The isopropanol production will be optimized via genome editing followed by fermentation optimizations. This project will deliver a novel microbial process that efficiently converts waste CO 2 to isopropanol at ~g/L titer level within 18-months. This project will layout a solid knowledge basis and technology platform for renewable CO 2 valorization to bio-blendstock that help achieve Co-Optima and Shell's goals.

09 BIOMASS FUELS↗

Crack detection in fuel cell electrodes using a spatial filtering technique for overcoming noisy backgrounds

Image processing is a powerful tool that allows for rapid and automated data parsing in settings that occupy large variable spaces and require large data sets. Feature detection on difficultly discerned backgrounds is a subset of image processing that facilitates the extraction of quantitative metrics from otherwise subjective data. Crack detection and quantification is an important capability in polymer electrolyte membrane fuel cell quality control, failure analysis, and optimization. This work presents a technique to perform crack detection and quantification which overcomes challenges faced by commonly used image segmentation techniques. We demonstrate the use of a geometrically filtered noise‐level detection technique to select a binary threshold value from which we then quantify how cracked a sample is. Furthermore, we demonstrate the accuracy of our technique using programmatically generated test images of known crack amounts and their performance on real‐world fuel cell catalyst layer samples.

30 DIRECT ENERGY CONVERSION↗

In‐mold rheology and automated process control for injection molding of recycled polypropylene

Abstract Manufacturing plastic parts with secondary feedstocks has risen to the forefront of importance in recent years. However, the variation in molecular weight and rheology of secondary feedstock can lead to inconsistent part quality. This work evaluates the effectiveness of a novel closed‐loop adaptive process control system that adjusts nozzle pressure in response to in‐mold pressure data. Five different recycled polypropylene blends, with a broad distribution of flow properties, were evaluated to determine the effectiveness of the control system at reducing processing variation. The experimental results show that the process control strategy reduced the variation within the mold, as seen by in‐mold pressure curves and calculated in‐mold viscosity values. Additionally, the parameters that control the automated process adjustments were investigated, showing the importance of optimization. The analysis of the correlation between in‐mold rheology and mechanical properties showed a slight variation in the mechanical properties and parts weight with a coefficient of variation of under 5%. Overall, the results demonstrate the ability of pressure‐controlled molding and automated viscosity adjustment to reduce the variability when molding a secondary feedstock. Highlights Pressure‐controlled injection molding of recycled polypropylene. Automated closed‐loop adaptive process control methodology. Methodology resulted in a reduction in pressure variation during molding. Changes in mechanical properties and in‐mold viscosity were investigated. Results show the potential of pressure‐controlled molding at reducing variation.

Krantz, Joshua↗

Challenges, opportunities, and a research roadmap for downwind wind turbines

This study investigates the challenges and opportunities presented by downwind wind turbines and offers a roadmap of future research pathways to maximize their potential. Multidisciplinary design, analysis, and optimization comparison studies between upwind and downwind configurations on a modern 10-MW offshore wind turbine are presented to support the discussion. On one hand, the downwind rotor is found to consistently have a smaller swept area under loading. As a result, the downwind design produces less annual energy production (-1.2%). On the other hand, lighter blades for the downwind configuration lead to lower capital costs (-1.7%), so there is little difference in the levelized cost of energy between the two. Key ultimate and fatigue loads are compared, with some values increasing in the downwind configuration, while others decrease. The impact of a downwind configuration on the tower and the impacts of cone and tilt angles and free-yaw system on the levelized cost of energy are also investigated. The results show a mix of some advantages and disadvantages. Given these results, four areas of research in advanced controls, highly tilted rotors, higher fidelity aerodynamic models, and floating wind are proposed for downwind wind turbines.

17 WIND ENERGY↗

Search for the associated production of a Higgs boson with a single top quark in proton-proton collisions at $ \sqrt{s}=8 $ TeV

Our paper presents the search for the production of a Higgs boson in association with a single top quark, using data collected in proton-proton collisions at a center-of-mass energy of 8 TeV corresponding to an integrated luminosity of 19.7 fb -1 . The search exploits a variety of Higgs boson decay modes resulting in final states with photons, bottom quarks, and multiple charged leptons, including tau leptons, and employs a variety of multivariate techniques to maximize sensitivity to the signal. Furthermore, our analysis is optimized for the opposite sign of the Yukawa coupling to that in the standard model and corresponding to a large enhancement of the signal cross section. In the absence of an excess of candidate signal events over the background predictions, 95% confidence level observed (expected) upper limits on anomalous tHq production are set, ranging between 600 (450) fb and 1000 (700) fb depending on the assumed diphoton branching fraction of the Higgs boson. This is the first time that results on anomalous tHq production have been reported.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for a heavy resonance decaying to a top quark and a vector-like top quark at $ \sqrt{s}=13 $ TeV

A search is presented for massive spin-1 Z$^{′}$ resonances decaying to a top quark and a heavy vector-like top quark partner T. The search is based on a 2.6 fb$^{−1}$ sample of proton-proton collisions at 13 TeV collected with the CMS detector at the LHC. The analysis is optimized for final states in which the T quark decays to a W boson and a bottom quark. The focus is on all-jet final states in which both the W boson and the top quark decay into quarks that evolve into jets. The decay products of the top quark and of the W boson are assumed to be highly Lorentz-boosted and cannot be reconstructed as separate jets, but are instead reconstructed as merged, wide jets. Techniques for the identification of jet substructure and jet flavour are used to distinguish signal from background events. Several models for Z$^{′}$ bosons decaying to T quarks are excluded at 95% confidence level, with upper limits on the cross section ranging from 0.13 to 10 pb, depending on the chosen hypotheses. This is the first search for a neutral spin-1 heavy resonance decaying to a top quark and a vector-like T quark in the all-hadronic final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for $t\overline{t}$ resonances in fully hadronic final states in $pp$ collisions at $ \sqrt{s} $ = 13 TeV with the ATLAS detector

This paper presents a search for new heavy particles decaying into a pair of top quarks using 139 fb -1 of proton-proton collision data recorded at a centre-of-mass energy of √s = 13 TeV with the ATLAS detector at the Large Hadron Collider. The search is performed using events consistent with pair production of high-transverse-momentum top quarks and their subsequent decays into the fully hadronic final states. The analysis is optimized for resonances decaying into a $t\overline{t}$ pair with mass above 1.4 TeV, exploiting a dedicated multivariate technique with jet substructure to identify hadronically decaying top quarks using large-radius jets and evaluating the background expectation from data. No significant deviation from the background prediction is observed. Limits are set on the production cross-section times branching fraction for the new Z' boson in a topcolor-assisted-technicolor model. The Z' boson masses below 3.9 and 4.7 TeV are excluded at 95% confidence level for the decay widths of 1% and 3%, respectively.

Heavy quark production↗

Modeling Flexible Generator Operating Regions via Chance- constrained Stochastic Unit Commitment

Here, we introduce a novel chance-constrained stochastic unit commitment model to address uncertainty in renewables' production uncertainty in power systems operation. For most thermal generators,underlying technical constraints that are universally treated as "hard" by deterministic unit commitment models are in fact based on engineering judgments, such that system operators can periodically request operation outside these limits in non-nominal situations, e.g., to ensure reliability. We incorporate this practical consideration into a chance-constrained stochastic unit commitment model, specifically by in-frequently allowing minor deviations from the minimum and maximum thermal generator power output levels. We demonstrate that an extensive form of our model is computationally tractable for medium-sized power systems given modest numbers of scenarios for renewables' production. We show that the model is able to potentially save significant annual production costs by allowing infrequent and controlled violation of the traditionally hard bounds imposed on thermal generator production limits. Finally, we conduct a sensitivity analysis of optimal solutions to our model under two restricted regimes and observe similar qualitative results.

42 ENGINEERING↗

ANN-based correlation for frictional pressure drop of non-azeotropic mixtures during cryogenic forced boiling

A crucial aspect of Joule-Thomson cryocooler analysis and optimization is the accurate estimation of frictional pressure drop. This paper presents a pressure drop model for boiling of non-azeotropic mixtures of nitrogen with hydrocarbons (e.g., methane, ethane, and propane) in microchannels. These refrigerant mixtures are important for their applicability in natural gas liquefaction plants. Here, the pressure drop model is based on computational intelligence techniques, and its performance is evaluated with the mean relative error (mre), and compared with three correlations previously selected as most accurate: Awad and Muzychka; Sun and Mishima; and Cicchitti et al.

42 ENGINEERING↗

Machine learning materials physics: Surrogate optimization and multi-fidelity algorithms predict precipitate morphology in an alternative to phase field dynamics

Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been applications to the search for new materials that draw upon big-data classification problems. Though, when it comes to physical systems governed by conservation laws, the role of machine learning has been more limited. Here, we present our recent work in exploring the role of machine learning methods in discovering, or aiding, the search for physics. Specifically, we focus on using machine learning algorithms to represent high-dimensional free energy surfaces with the goal of identifying precipitate morphologies in alloy systems. Traditionally, this problem has been approached by combining phase field models, which impose first-order dynamics, with elasticity, to traverse a free energy landscape in search of minima. Equilibrium precipitate morphologies occur at these minima. Here, we exploit the machine learning methods to represent high-dimensional data, combined with surrogate optimization, sensitivity analysis and multifidelity modeling as an alternate framework to explore phenomena controlled by energy extremization. This combination of data-driven methods offers an alternative to the imposition of first-order dynamics via phase field methods, and represents one aspect of applying machine learning to materials physics.

42 ENGINEERING↗

Synthesis of operable process intensification systems: advances and challenges

Process intensification (PI) has been gaining increasing momentum in the chemical engineering research community and the chemical/energy industry. While many PI alternative technologies and their conventional counterparts exist, systematic approaches and tools to decide on the most promising intensified process solutions are currently rather lacking. Process Systems Engineering (PSE) can contribute uniquely to this challenge by leveraging process synthesis, design, analysis, and optimization tools. However, key open questions in this area still remain, including: (i) how to efficiently address the combinatorial design space and systematically deliver intensified designs, and (ii) how to ensure the operablility performances of the derived intensified structures at an early design stage. Here, this paper provides a brief review of recent progress towards the synthesis of operable process intensification systems, highlights major challenges, and discusses future research opportunities.

42 ENGINEERING↗

Circular Economy - A challenge and an opportunity for Process Systems Engineering

Rising populations put huge stresses on natural resources. Extraction and depletion of raw materials and waste created throughout the supply chain of products have enormous environmental and socioeconomic impacts. One way to reduce these impacts is through the move towards the circular economy (CE). CE aims to solve resource, waste, and emission challenges confronting society by creating a production-to-consumption total supply chain that is restorative, regenerative, and environmentally benign. This article highlights research challenges and identifies process systems engineering (PSE) research opportunities to assist in the understanding, analysis and optimization of CE supply chains. A motivating example on the supply chain of coffee is introduced to illustrate the challenges of the transition towards a CE and to propose PSE research opportunities.

42 ENGINEERING↗

An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing

Here, in this paper, performance strategies on GPU-based HPC platforms of a cellular automata (CA) simulation code for non-equilibrium solidification, including nucleation, grain growth, solute partitioning and transport for the metal additive manufacturing (AM) process are investigated using OpenMP 4.5. To accurately report the speed-up for multicore CPUs and GPUs, a rigorous performance analysis employed optimizations appropriate for both CPU-only code (baseline) and GPU offload codes for an isothermal test problem. The performance results on Summit at the Oak Ridge Leadership Computing Facility indicate that using a precomputed list of interface cells significantly decreased the wall-clock time on GPUs. The speedup due to GPU acceleration was evaluated for a full Summit node and measured to be 1.8X when comparing a 6 MPI tasks run with 6 GPUs versus 36 MPI tasks on the CPU only. That speed-up was found to be 7.9X when comparing 6 MPI tasks with 6 GPUs versus the 6 MPI tasks running on the CPU only. Performance measurements showed that system total time is almost constant for runs with more than 96 MPI tasks (or GPUs), indicating that the GPU-accelerated code showed an excellent weak scaling performance. Finally, a rapid directional solidification problem was considered to demonstrate the CA code capability on Summit. It was found that a mesh size of at least 0.05 μm is recommended for the AM-like simulations in order to obtain accurate elongated grain microstructure and elongated subgrain features, which are in qualitative good agreement with experimental data. The results presented in this study indicate that the performance strategies on GPU-based HPC platforms for the CA code are appropriate for novel HPC exascale platforms.

36 MATERIALS SCIENCE↗