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At least 811 records · Page 45

Engine Combustion System Optimization Using Computational Fluid Dynamics and Machine Learning: A Methodological Approach

Gasoline compression ignition (GCI) engines are considered an attractive alternative to traditional spark-ignition and diesel engines. Here, a Machine Learning-Grid Gradient Ascent (ML-GGA) approach was developed to optimize the performance of internal combustion engines. ML offers a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. The developed ML-GGA model was compared with a recently developed Machine Learning-Genetic Algorithm (ML-GA). Detailed investigations of optimization solver parameters and variable limit extension were performed in the present ML-GGA model to improve the accuracy and robustness of the optimization process. Detailed descriptions of the different procedures, optimization tools, and criteria that must be followed for a successful output are provided here. The developed ML-GGA approach was used to optimize the operating conditions (case 1) and the piston bowl design (case 2) of a heavy-duty diesel engine running on a gasoline fuel with a research octane number (RON) of 80. The ML-GGA approach yielded >2% improvements in the merit function, compared with the optimum obtained from a thorough computational fluid dynamics (CFD) guided system optimization. The predictions from the ML-GGA approach were validated with engine CFD simulations. This study demonstrates the potential of ML-GGA to significantly reduce the time needed for optimization problems, without loss in accuracy compared with traditional approaches.

33 ADVANCED PROPULSION SYSTEMS↗

Optimization of a High Pressure Turbine Blade and Sector-Based Annular Rig Design for Supercritical CO2 Power Cycle Representative Testing

Abstract As part of the ongoing research into the design of hardware for zero emission cycles, a first-stage high-pressure turbine (HPT) blade is optimized for a 300 MWe supercritical CO2 (sCO2) power cycle using the surrogate-assisted genetic algorithm optimizer in Numeca FINE/Design three-dimensional with objectives of increasing efficiency and decreasing heat load to the blade. Supercritical CO2 property tables are constructed from NIST REFPROP data for the condensable gas simulation in FINE/Turbo. A detailed mesh sensitivity study is performed for a baseline design to identify the proper-grid refinement and efficiently allocate resources for the optimization. Seventy design variables are selected for the initial population generation. Self-organizing maps are then used to focus the design variables on the most important ones affecting the objective functions. The optimization results in approximately 3000 three-dimensional Reynolds Averaged Navier Stokes simulations of different blade shapes with increases in efficiency of up to 0.85% and decreases in heat load of 14%. Families of blade shapes are identified for experimental testing in an annular rig at the Purdue Experimental Turbine Aerothermal Laboratory. A design to adapt the annular cascade for testing optimized geometries is introduced, which features eccentric radius sectors allowing for scaled-up geometries of sCO2 optimized blade profiles to be tested at design cycle representative conditions at high Reynolds numbers in dry air. Analysis into the effects of Reynolds number, working fluid, and geometric relations are presented to prove the efficacy of the test method.

Engineering↗

Oxygen Storage Incorporated Into Net Power and the Allam–Fetvedt Oxy-Fuel sCO2 Power Cycle—Techno-Economic Analysis

Abstract With the planned future reliance on variable renewable energy, the ability to store energy for prolonged time periods will be required to reduce the disruption of market fluctuations. This paper presents a method to analyze a hybrid liquid-oxygen (LOx) storage/direct-fired supercritical carbon dioxide (sCO2) power cycle and optimize the economic performance over a diverse range of scenarios. The system utilizes a modified version of the NET Power process to produce energy when energy demand exceeds the supply while displacing much of the cost of the air separation unit (ASU) energy requirements through cryogenic storage of oxygen. The model uses marginal cost of energy data to determine the optimal times to charge and discharge the system over a given scenario. The model then applies ramp rates and other time-dependent factors to generate an economic model for the system without storage considerations. The size of the storage system is then applied to create a realistic model of the plant operation. From the real plant operation model, the amount of energy charged and discharged, the capital expenditures (CAPEX) of each system, energy costs and revenue and other parameters can be calculated. The economic parameters are then combined to calculate the net present value (NPV) of the system for the given scenario. The model was then run through the SMPSO genetic algorithm in Python for a variety of geographic regions and large-scale scenarios (high solar penetration) to maximize the NPV based on multiple parameters for each subsystem. The LOx storage requirements will also be discussed.

Engineering↗

Parametric Modeling and Economic Analysis of a 2MW th 3-Stream sCO 2 Heat Exchanger

Here, this paper presents the design and cost optimization of a novel 2MW th 3-stream sCO2 plate-fin heat exchanger. This heat exchanger design is unique in that it uses reduced metal oxide particle-to-sCO2 heat exchanger for cost-effective energy storage applications. The design uses low velocity, laminar air as the re-oxidizing reactant to transfer the heat of the re-oxidizing reaction to a sCO2 power loop. The design of the heat exchanger is based on a 2-D, 3-fluid plate/fin heat transfer model. The model parameterizes the size, shape, and number of passages of the heat exchanger to calculate the temperature profile, pressure drop, and fluid velocities of all three fluids. Global heat exchanger parameters such as the effectiveness and total heat transferred to the sCO2 are then calculated for overall performance. Due to the value and increased use of sCO2 heat exchangers in power cycles, a cost model of the system based on the unique high temperature/high pressure operating conditions was created using quotes from reference projects and market analysis. These quoted air-to-sCO2 heat exchangers are then processed using multiple weighting factors pertinent to heat exchanger design, including heat exchanger type, maximum temperature, differential pressures, fluids, duty, and more. These factors are then used in an exponential function in order to generate a parameterized cost curve. The design and cost of the heat exchanger are then optimized using the SMPSO genetic algorithm in Python. The optimization objectives for the system are to maximize the overall system effectiveness, including an air recuperator for preheating, and to minimize unit costs. Additional constraints are added to the system for the sCO2 and air pressure drops, air velocity to reduce particle entrainment, and the length and volume of the heat exchanger.

Cost Model↗

Multiphysics Co-Optimization Design and Analysis of Double-Side Cooled Silicon Carbide-Based Power Module: Preprint

With the rapid growth of Electric Vehicles (EVs) and Hybrid Electric Vehicles (HEVs), much more rigorous design targets have been set for automotive power electronics, including high power density, high reliability, and low cost. Novel power module and inverter technologies based on wide bandgap (WEG) semiconductors have been developed to meet these design targets, while providing optimal power semiconductor operating temperature and promising thermomechanical performance. Compared with conventional cooling techniques which are normally applied only on one side of power module, double-side cooling approach is now believed to be the solution to enable high power density and low thermal resistance of WEG semiconductor-based power electronics. In this work, we develop a three-phase power module that is double-sided cooled using dielectric fluid jet impingement. In each phase, four silicon carbide (SiC) power semiconductors are bonded to copper busbars without electrical insulation layers. A finite element analysis (FEA) model is created for thermal and thermomechanical analysis. Based on FEA modeling results, we select particular dimensions for a parametric study to optimize thermal and mechanical performance. Using a multi-objective genetic algorithm (MOGA)-based optimization method, we have minimized the maximum junction temperature and thermal stresses within the power module. The multiphysics co-optimization approach has enabled an efficient design process of power modules with greatly reduced computational cost, as compared to conventional processes that rely on exhaustive numerical simulations and iterations.

ADVANCED PROPULSION SYSTEMS↗

SU-F-R-28: Correction of FCh-PET Bladder Uptake Using Virtual Sinograms and Investigation of Its Impact On the Quantification of Prostate Textural Characteristics

Purpose: Textural biomarkers as a tool for quantifying intratumoral heterogeneity hold great promise for diagnosis and early assessment of treatment response in prostate cancer. However, spill-in counts from the bladder uptake are suspected to have an impact on the textural measurements of the prostate volume. This work proposes a correction method for the FCh-PET bladder uptake and investigates its impact on intraprostatic textural properties. Methods: Two patients with PC received pre-treatment dynamic FCh-PET scans reconstructed at four time points (interval: 2 min), for which prostate and bladder contours were obtained. Projection bins affected by bladder uptake were determined by forward-projection. For each time point and axial position, virtual sinograms were obtained and affected bins replaced by a weighted combination of original values and values interpolated using cubic spline from non-affected bins of the current and adjacent projection angles. The process was optimized using a genetic algorithm in terms of minimization of the root-mean-square error (RMSE) within the bladder between the corrected dynamic time point volume and a reference initial uptake volume. Finally, the impact of the bladder uptake correction on the prostate region was investigated using two standard SUV metrics (1) and three texture metrics (2): 1) SUVmax, SUVmean; 2) Contrast, Homogeneity, Coarseness. Results: Without bladder uptake correction, SUVmax and SUVmean were on average overestimated in the prostate by 0%, 0%, 33.2%, 51.2%, and 3.6%, 6.0%, 2.9%, 3.2%, for each time point respectively. Contrast varied by −9.1%, −6.7%, +40.4%, +107.7%, and Homogeneity and Coarseness by +4.5%, +1.8%, −8.8%, −14.8% and +1.0%, +0.5%, −9.5%, +0.9%. Conclusion: We proposed a method for FCh-PET bladder uptake correction and showed an impact on the quantification of the prostate signal. This method achieved a large reduction of intra-prostatic SUVmax while minimizing the impact on SUVmean. Further investigation is necessary to interpret changes in textural features. SL acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290).

60 APPLIED LIFE SCIENCES↗

SU-F-T-347: An Absolute Dose-Volume Constraint Based Deterministic Optimization Framework for Multi-Co60 Source Focused Radiotherapy

Purpose: Treatment plan optimization in multi-Co60 source focused radiotherapy with multiple isocenters is challenging, because dose distribution is normalized to maximum dose during optimization and evaluation. The objective functions are traditionally defined based on relative dosimetric distribution. This study presents an alternative absolute dose-volume constraint (ADC) based deterministic optimization framework (ADC-DOF). Methods: The initial isocenters are placed on the eroded target surface. Collimator size is chosen based on the area of 2D contour on corresponding axial slice. The isocenter spacing is determined by adjacent collimator sizes. The weights are optimized by minimizing the deviation from ADCs using the steepest descent technique. An iterative procedure is developed to reduce the number of isocenters, where the isocenter with lowest weight is removed without affecting plan quality. The ADC-DOF is compared with the genetic algorithm (GA) using the same arbitrary shaped target (254cc), with a 15mm margin ring structure representing normal tissues. Results: For ADC-DOF, the ADCs imposed on target and ring are (D100>10Gy, D50,10, 0<12Gy, 15Gy and 20Gy) and (D40<10Gy). The resulting D100, 50, 10, 0 and D40 are (9.9Gy, 12.0Gy, 14.1Gy and 16.2Gy) and (10.2Gy). The objectives of GA are to maximize 50% isodose target coverage (TC) while minimize the dose delivered to the ring structure, which results in 97% TC and 47.2% average dose in ring structure. For ADC-DOF (GA) techniques, 20 out of 38 (10 out of 12) initial isocenters are used in the final plan, and the computation time is 8.7s (412.2s) on an i5 computer. Conclusion: We have developed a new optimization technique using ADC and deterministic optimization. Compared with GA, ADC-DOF uses more isocenters but is faster and more robust, and achieves a better conformity. For future work, we will focus on developing a more effective mechanism for initial isocenter determination.

60 APPLIED LIFE SCIENCES↗

TU-H-BRC-05: Stereotactic Radiosurgery Optimized with Orthovoltage Beams

Purpose: To achieve improved stereotactic radiosurgery (SRS) dose distributions using orthovoltage energy fluence modulation with inverse planning optimization techniques. Methods: A pencil beam model was used to calculate dose distributions from the institution’s orthovoltage unit at 250 kVp. Kernels for the model were derived using Monte Carlo methods as well as measurements with radiochromic film. The orthovoltage photon spectra, modulated by varying thicknesses of attenuating material, were approximated using open-source software. A genetic algorithm search heuristic routine was used to optimize added tungsten filtration thicknesses to approach rectangular function dose distributions at depth. Optimizations were performed for depths of 2.5, 5.0, and 7.5 cm, with cone sizes of 8, 10, and 12 mm. Results: Circularly-symmetric tungsten filters were designed based on the results of the optimization, to modulate the orthovoltage beam across the aperture of an SRS cone collimator. For each depth and cone size combination examined, the beam flatness and 80–20% and 90–10% penumbrae were calculated for both standard, open cone-collimated beams as well as for the optimized, filtered beams. For all configurations tested, the modulated beams were able to achieve improved penumbra widths and flatness statistics at depth, with flatness improving between 33 and 52%, and penumbrae improving between 18 and 25% for the modulated beams compared to the unmodulated beams. Conclusion: A methodology has been described that may be used to optimize the spatial distribution of added filtration material in an orthovoltage SRS beam to result in dose distributions at depth with improved flatness and penumbrae compared to standard open cones. This work provides the mathematical foundation for a novel, orthovoltage energy fluence-modulated SRS system.

60 APPLIED LIFE SCIENCES↗

Enhanced resonant ultrasound spectroscopy for measurement of the elastic properties of multi-material systems

Understanding the elastic properties of materials is critical for their safe incorporation and predictable performance. Current methods of bulk elastic characterization often have notable limitations for in situ structural applications, with usage restricted to simple geometries and material distributions. To address these existing issues, this study sought to expand the capabilities of resonant ultrasound spectroscopy (RUS), an established nondestructive evaluation method, to include the characterization of isotropic multi-material samples. In this work, finite-element-based RUS analysis consisted of numerical simulations and experimental testing of composite samples comprised of material pairs with varying elasticity and density contrasts. Utilizing genetic algorithm inversion and mode matching, our results demonstrate that elastic properties of multi-material samples can be reliably identified within several percent of known or nominal values using a minimum number of identified resonance modes, given sample mass is held consistent. The accurate recovery of material properties for composite samples of varying material similarity and geometry expands the pool of viable samples for RUS and advances the method towards in situ inspection and evaluation.

36 MATERIALS SCIENCE↗

The importance of shear on the collective charge transport in CDWs revealed by an XFEL source

Charge transport in materials has an impact on a wide range of devices based on semiconductor, battery, or superconductor technology. Charge transport in sliding charge density waves (CDW) differs from all others in that the atomic lattice is directly involved in the transport process. To obtain an overall picture of the structural changes associated to the collective transport, the large coherent x-ray beam generated by an x-ray free-electron laser (XFEL) source was used. The CDW phase can be retrieved over the entire sample from diffracted intensities using a genetic algorithm. For currents below threshold, increasing shear deformation is observed in the central part of the sample while longitudinal deformation appears above threshold when shear relaxes. Shear thus precedes longitudinal deformation, with relaxation of one leading to the appearance of the other. Moreover, strain accumulates on surface steps in the sliding regime, demonstrating the strong pinning character of these surface discontinuities. The sliding process of nanometric CDW involves macroscopic sample dimensions.

36 MATERIALS SCIENCE↗

Structures and magnetic properties of Ni n (n = 36-40) clusters from first-principles calculations

A genetic algorithm (GA) coupled with a tight-binding (TB) interatomic potential is used to search for the low-energy structures of medium-sized Ni n (n = 36-40) clusters. Structural candidates obtained from our GA search are further optimized with first-principles calculations. The medium-sized nickel clusters ranging from 36 to 40 atoms are found to favor the double-icosahedron-based structures with a Ni7 core (a pentagonal bipyramidal structure) except Ni38 cluster. The lowest-energy structure of Ni38 can be considered to be a magic cluster, which is a typical face-centered cubic structure with large stability and magnetic moment.

Song, W.↗

Configuration analysis and optimization on multipolar Galatea trap

Multipolar Galatea magnetic trap simulation model was established with the finite element simulation software COMSOL Multiphysics. Analyses about the magnetic section configuration show that better magnetic configuration should make more plasma stay in the weak magnetic field rather than the annular magnetic shell field. Then an optimization model was established with axial electromagnetic force, weak magnetic field area and average magnetic mirror ratio as the optimization goals and with the currents of myxines as design variables. Select appropriate weight coefficients and get optimization results by applying genetic algorithm. Results show that the superiority of the target value of typical application parameters, including the average magnetic mirror can reduce more than 5%, the weak magnetic field area can increase at least 65%, at the same time, axial electromagnetic force acting on the outer myxines can be reduced to less than 50 N. Finally, the results were proved by COMSOL Multiphysics and the results proved the optimized magnetic trap configuration with more plasma in the weak magnetic field can reduce the plasma diffusion velocity and is more conducive for the constraint of plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-objective dynamic aperture optimization for storage rings

We report an efficient dynamic aperture (DA) optimization approach using multiobjective genetic algorithm (MOGA), which is driven by nonlinear driving terms computation. It was found that having small low order driving terms is a necessary but insufficient condition of having a decent DA. Then direct DA tracking simulation is implemented among the last generation candidates to select the best solutions. The approach was demonstrated successfully in optimizing NSLS-II storage ring DA.

43 PARTICLE ACCELERATORS↗

Taming parallel I/O complexity with auto-tuning

We present an auto-tuning system for optimizing I/O performance of HDF5 applications and demonstrate its value across platforms, applications, and at scale. The system uses a genetic algorithm to search a large space of tunable parameters and to identify effective settings at all layers of the parallel I/O stack. The parameter settings are applied transparently by the auto-tuning system via dynamically intercepted HDF5 calls. To validate our auto-tuning system, we applied it to three I/O benchmarks (VPIC, VORPAL, and GCRM) that replicate the I/O activity of their respective applications. We tested the system with different weak-scaling configurations (128, 2048, and 4096 CPU cores) that generate 30 GB to 1 TB of data, and executed these configurations on diverse HPC platforms (Cray XE6, IBM BG/P, and Dell Cluster). In all cases, the auto-tuning framework identified tunable parameters that substantially improved write performance over default system settings. In conclusion, we consistently demonstrate I/O write speedups between 2x and 100x for test configurations.

97 MATHEMATICS AND COMPUTING↗

Island model for parallel evolutionary optimization of spiking neuromorphic computing

Parallel genetic algorithms (PGAs) can be used to accelerate optimization by exploiting large-scale computational resources. In this work, we describe a PGA framework for evolving spiking neural networks (SNNs) for neuromorphic hardware implementation. The PGA framework is based on an islands model with migration. We show that using this framework, better SNNs for neuromorphic systems can be evolved faster.

Schuman, Catherine↗

A Combined Density Functional Theory and Monte Carlo Investigation of the Competitive Adsorption of Atomic Oxygen and Chlorine to the Ni (111) Surface

Designing the next generation of corrosion resistant alloys will rely, in part, on developing a better understanding of how to favor the formation of protective surface oxide films in chemically aggressive environments. In this work, we examined the early stages of oxygen adsorption on Ni (111) in the presence of chloride, a known corrosive agent. The analysis was accomplished from first principles via the construction of a database of density functional theory (DFT) calculations which was then used to fit a cluster expansion model Hamiltonian. DFT calculations showed that the face centered cubic (fcc) sites were most stable for adsorption of both chloride and oxygen in agreement with the literature. Hence, only adsorption to the fcc sites was considered in the cluster expansion and the DFT database. The potential function was constructed with the aid of a genetic algorithm (GA) which helped with the selection of appropriate clusters from a candidate pool of figures. The potential function that was developed contained a total of 50 coupled (i.e. Cl-O) and non-coupled (i.e. Cl-Cl and O-O) clusters and was reasonably good at predicting DFT results with a leave-one-out cross validation score of 28.6 meV/site. The potential function was then used to perform a systematic and efficient calculation of the adsorption isotherms of oxygen and chloride at 300 K. It was observed that relatively large chloride chemical potentials were required to displace adsorbed oxygen. Furthermore, the chloride adsorption isotherms indicated a rapid shift between 0.6 ML and 1 ML. Here, this transition was explained by the need for a large chloride chemical potential to overcome the repulsive forces between the chloride adatoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimizing Discharge Capacity of Li-O 2 Batteries by Design of Air-Electrode Porous Structure: Multifidelity Modeling and Optimization

We develop a new mathematical framework to study the optimal design of air electrode microstructures for lithium-oxygen (Li-O2) batteries. It can eectively reduce the number of expensive experiments for testing dierent air-electrodes, thereby minimizing the cost in the design of Li-O2 batteries. The design parameters to characterize an air-electrode microstructure include the porosity, surface-to-volume ratio, and parameters associated with the pore-size distribution. A surrogate model (also known as response surface) for discharge capacity is rst constructed as a function of these design parameters. The surrogate model is accurate and easy to evaluate such that an optimization can be performed based on it. In particular, a Gaussian process regression method, co-kriging, is employed due to its accuracy and eciency in predicting high-dimensional responses from a combination of multidelity data. Specically, a small amount of data from high-delity simulations are combined with a large number of data obtained from computationally ecient low-delity simulations. The high-delity simulation is based on a multiscale modeling approach that couples the microscale (pore-scale) and macroscale (device-scale) models. Whereas, the low-delity simulation is based on an empirical macroscale model. The constructed response surface provides quantitative understanding and prediction about how air electrode microstructures aect the discharge performance of Li-O2 batteries. The succeeding sensitivity analysis via Sobol indices and optimization via genetic algorithm ultimately oer a reliable guidance on the optimal design of air electrode microstructures. The proposed mathematical framework can be generalized to investigate other new energy storage techniques and materials.

25 ENERGY STORAGE↗

DEPRECATED LaDa™ [SWR-12-10]

DEPRECATED This repository was archived by the owner on Apr 24, 2023. It is now read-only.High-Throughput software platform to create/launch/analyze physics-related calculations. The front-end is a python API which allows the user to create any conceivable first-principles physics calculation. Is is coupled to an ipython interface to launch and retrieve large number of calculations. It was successfully used in high-throughput calculations of point defect formation enthalpies, compound formation enthalpies, and a genetic algorithm search of direct-gap silicon/germanium structures.

d'Avezac, Mayeul↗