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At least 1,171 records · Page 65

OPTIMIZATION OF A NUCLEAR VESSEL OUTLET FOR INCIDENT MONITORING

Classical nuclear core fluidic design techniques require improvement to better align with modern technological innovations. The US Department of Energy’s Office of Nuclear Energy (DOE-NE) Transformational Challenge Reactor (TCR) program is deploying additive manufacturing and advanced modeling and simulation to reimagine these designs. With the aid of modern computing power, computerized design optimization can be implemented to remove unwanted pressure drop while simultaneously optimizing flow structures, resulting in new opportunities to enable advanced instrumentation and monitoring capabilities.Previous development of geometric specifications for the TCR pressure vessel’s outlet plenum used design optimization to (1) limit pressure losses below 3.5 kPa (~0.5 psi) and (2) create a fluidic plane in which the temperature variation would not exceed ±5°C. This significant limit of the allowable pressure drop stems from the overarching goal of the TCR program to apply cutting edge techniques and unconventional thinking to demonstrate potential opportunities in additive manufacturing (AM).This paper expands the previous work by optimizing thermowell locations for robust measurements by explicitly modeling them and the resulting flow impacts. Additionally, a single core coolant channel was chosen to represent an event that causes an increased bulk flow temperature increase of 100°C.High fidelity unsteady Reynolds-averaged Navier-Stokes (URANS) simulations of the conjugate heat transfer problem were run in Siemen’s Star-CCM+ for this study. Next, the bulk flow temperature of a single coolant channel was increased by 100°C and was allowed to converge again. Finally, statistical analysis using a sequential probability ratio test (SPRT) was used to determine the elapsed time the thermocouples took to discover the increased bulk flow temperature.

See, Nate↗

Optimized aerodynamic design process for subsonic transport wing fitted with winglets

The aerodynamic design of a wind-tunnel model of a wing representative of that of a subsonic jet transport aircraft, fitted with winglets, was performed using two recently developed optimal wing-design computer programs. Both potential flow codes use a vortex lattice representation of the near-field of the aerodynamic surfaces for determination of the required mean camber surfaces for minimum induced drag, and both codes use far-field induced drag minimization procedures to obtain the required spanloads. One code uses a discrete vortex wake model for this far-field drag computation, while the second uses a 2-D advanced panel wake model. Wing camber shapes for the two codes are very similar, but the resulting winglet camber shapes differ widely. Design techniques and considerations for these two wind-tunnel models are detailed, including a description of the necessary modifications of the design geometry to format it for use by a numerically controlled machine for the actual model construction.

Kuhlman, J. M.↗

Optimizing Biorefinery Design and Operations via Linear Programming Models

The ability to assess and optimize economics of biomass resource utilization for the production of fuels, chemicals and power is essential for the ultimate success of a bioenergy industry. The team of authors, consisting of members from the National Renewable Energy Laboratory (NREL) and the Idaho National Laboratory (INL), has developed simple biorefinery linear programming (LP) models to enable the optimization of theoretical or existing biorefineries. The goal of this analysis is to demonstrate how such models can benefit the developing biorefining industry. It focuses on a theoretical multi-pathway, thermochemical biorefinery configuration and demonstrates how the biorefinery can use LP models for operations planning and optimization in comparable ways to the petroleum refining industry. Using LP modeling tools developed under U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) funded efforts, the authors investigate optimization challenges for the theoretical biorefineries such as (1) optimal feedstock slate based on available biomass and prices, (2) breakeven price analysis for available feedstocks, (3) impact analysis for changes in feedstock costs and product prices, (4) optimal biorefinery operations during unit shutdowns / turnarounds, and (5) incentives for increased processing capacity. These biorefinery examples are comparable to crude oil purchasing and operational optimization studies that petroleum refiners perform routinely using LPs and other optimization models. It is important to note that the analyses presented in this article are strictly theoretical and they are not based on current energy market prices. The pricing structure assigned for this demonstrative analysis is consistent with $4 per gallon gasoline, which clearly assumes an economic environment that would favor the construction and operation of biorefineries. The analysis approach and examples provide valuable insights into the usefulness of analysis tools for maximizing the potential benefits of biomass utilization for production of fuels, chemicals and power.

09 BIOMASS FUELS↗

Evaluation of Response Surface Experiment Designs for Distributed Propulsion Aircraft Aero-Propulsive Modeling

Modern distributed hybrid and electric propulsion aircraft, including vertical, short, and conventional takeoff and landing configurations, exhibit significant aero-propulsive complexity and a large number of interacting test factors. This paper presents the development and evaluation of experiment designs for aero-propulsive characterization of distributed propulsion aircraft. Five different foundational response surface designs are evaluated to inform the development of two sequential design approaches tailored to complex aircraft aerodynamic characterization experiments. The first approach, which builds on sequential face-centered central composite designs, has been used previously to develop aero-propulsive models for complex aircraft using wind tunnel testing. The second approach is a new design strategy leveraging a regular I-optimal and nested I-optimal design that was developed for this study. The two sequential design strategies are compared for experiments with a large number of test factors using pre-experiment design evaluation metrics, as well as modeling results obtained from simulated wind tunnel data for the NASA LA-8 aircraft. The design evaluation metrics show that the sequential I-optimal base design has higher statistical power, lower correlation among candidate regressors, lower prediction variance, and more precise parameter estimates. The simulated wind tunnel experiments conducted using each design reveal that the sequential I-optimal base design has better predictive capability with fewer test points. The experiment design and evaluation procedures are described in detail to inform future aerodynamic characterization experiments for complex aircraft.

design of experiments↗

A novel machine learning-based optimization algorithm (ActivO) for accelerating simulation-driven engine design

A novel design optimization approach (ActivO) that employs an ensemble of machine learning algorithms is presented. The proposed approach is a surrogate-based scheme, where the predictions of a weak leaner and a strong learner are utilized within an active learning loop. The weak learner is used to identify promising regions within the design space to explore, while the strong learner is used to determine the exact location of the optimum within promising regions. For each design iteration, exploration is done by randomly selecting evaluation points within regions where the weak learner-predicted fitness is high. The global optimum obtained by using the strong learner as a surrogate is also evaluated to enable rapid convergence once the most promising region has been identified. First, the performance of ActivO was compared against five other optimizers on a cosine mixture function with 25 local optima and one global optimum. In the second problem, the objective was to minimize indicated specific fuel consumption of a compression-ignition internal combustion (IC) engine while adhering to desired constraints associated with in-cylinder pressure and emissions. In this work, the efficacy of the proposed approach is compared to that of a genetic algorithm, which is widely used within the internal combustion engine community for engine optimization, showing that ActivO reduces the number of function evaluations needed to reach the global optimum, and thereby time-to-design by 80%. Furthermore, the optimization of engine design parameters leads to savings of around 1.9% in energy consumption, while maintaining operability and acceptable pollutant emissions.

97 MATHEMATICS AND COMPUTING↗

Application of Box-Behnken design in optimizing product properties of supercritical methanol co -liquefaction of rice straw and linear low-density polyethylene

We report co-processing of plastic and biomass wastes to produce high-quality fuel has been attracting considerable interest in energy recovery. This work employed Box-Behnken Design (BBD) to optimize yield and properties of oil from supercritical methanol (scMeOH) co-liquefaction of rice straw (RS) and linear low-density polyethylene (LLDPE). Three independent variables of reaction temperature (270, 300, and 330°C), holding time (60, 90, and 120 mins), and RS/LLDPE mass ratio (0.15, 0.50, and 0.85) were selected for experiments. A maximum oil yield of 34.17 wt% was achieved at 303°C, 96 mins, and RS/LLDPE ratio of 0.59 according to BBD. Temperature and RS/LLDPE ratio dominated the oil yield and synergistic effects during co-liquefaction, whereas time was an insignificant factor. Optimum oil from co-liquefaction contained substantial hydrocarbons content of 32.91% compared to that from single RS-derived oil of 7.77%. Solid product obtained at the optimum condition could be used as solid fuel, due to its relatively high HHV of 43.08 MJ/kg compared to the other solid fuels (13.90–32.14 MJ/kg). This work provides a deep understanding of the co-processing of solid biomass and plastic wastes.

09 BIOMASS FUELS↗

Toward Optimal Transport Networks

Strictly evolutionary approaches to improving the air transport system a highly complex network of interacting systems no longer suffice in the face of demand that is projected to double or triple in the near future. Thus evolutionary approaches should be augmented with active design methods. The ability to actively design, optimize and control a system presupposes the existence of predictive modeling and reasonably well-defined functional dependences between the controllable variables of the system and objective and constraint functions for optimization. Following recent advances in the studies of the effects of network topology structure on dynamics, we investigate the performance of dynamic processes on transport networks as a function of the first nontrivial eigenvalue of the network's Laplacian, which, in turn, is a function of the network s connectivity and modularity. The last two characteristics can be controlled and tuned via optimization. We consider design optimization problem formulations. We have developed a flexible simulation of network topology coupled with flows on the network for use as a platform for computational experiments.

Alexandrov, Natalia↗

TH-E-BRF-01: Exploiting Tumor Shrinkage in Split-Course Radiotherapy

Purpose: In split-course radiotherapy, a patient is treated in several stages separated by weeks or months. This regimen has been motivated by radiobiological considerations. However, using modern image-guidance, it also provides an approach to reduce normal tissue dose by exploiting tumor shrinkage. In this work, we consider the optimal design of split-course treatments, motivated by the clinical management of large liver tumors for which normal liver dose constraints prohibit the administration of an ablative radiation dose in a single treatment. Methods: We introduce a dynamic tumor model that incorporates three factors: radiation induced cell kill, tumor shrinkage, and tumor cell repopulation. The design of splitcourse radiotherapy is formulated as a mathematical optimization problem in which the total dose to the liver is minimized, subject to delivering the prescribed dose to the tumor. Based on the model, we gain insight into the optimal administration of radiation over time, i.e. the optimal treatment gaps and dose levels. Results: We analyze treatments consisting of two stages in detail. The analysis confirms the intuition that the second stage should be delivered just before the tumor size reaches a minimum and repopulation overcompensates shrinking. Furthermore, it was found that, for a large range of model parameters, approximately one third of the dose should be delivered in the first stage. The projected benefit of split-course treatments in terms of liver sparing depends on model assumptions. However, the model predicts large liver dose reductions by more than a factor of two for plausible model parameters. Conclusion: The analysis of the tumor model suggests that substantial reduction in normal tissue dose can be achieved by exploiting tumor shrinkage via an optimal design of multi-stage treatments. This suggests taking a fresh look at split-course radiotherapy for selected disease sites where substantial tumor regression translates into reduced target volumes.

60 APPLIED LIFE SCIENCES↗

Annual report for DOE VTO

Carbon fiber (CF)/polymer composites are a transformative class of high-performance, lightweight material, where high aspect-ratio CFs reinforce a polymer matrix and exceed the strength of steel alloys at a fraction of the density. Despite the advantages of such a class of material, the broader implementation of CF composites in a range of automotive, aerospace, and energy applications is hindered by limitations of current manufacturing methods. These current techniques (e.g., hand lay-up, wet filament winding) are costly and impose severe limitations on fiber placement, orientation, and angle, and thus a composite’s ultimate properties. Today’s CF composites are expensive to manufacture, limited in form factor, and utilize costly and sub-optimal continuous filament CF. Advanced additive manufacturing (AM) processes, combined with computational design optimization and new approaches to resin development, offer alternative design and manufacturing paradigms that have the realistic potential to lift these constraints. Such integrated AM approaches could thus help to realize the full potential of CF composite materials. One relevant application of CF composite materials where manufacturing constraints limit the cost-benefit ratio is in the manufacture of high-performance composite pressure vessels for onboard compressed natural gas (CNG) storage. Current CNG storage vessels (Types 3–5) are made from load-bearing filament-wound carbon-fiber composite and are ~3.5 times as expensive as an all-metallic Type-1 vessel. This cost is invariably tied to the complex and labor-intensive nature of conventional filament winding processes and the large volumes of expensive high tensile-strength CF tow feedstock required in manufacture. Our proposed approach to CNG storage vessel manufacture is based on a combination of AM technologies for CF composite printing and design optimization tools that were pioneered at Lawrence Livermore National Laboratory (LLNL), with advances in resin/composite formulation enabled by chemical and nano-material modification. Through the successful development of this technology, LLNL seeks to demonstrate the capability for advanced CNG storage vessel manufacture at reduced cost with no reduction in performance versus the most advanced, extant Type-5 designs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A General Framework for Process Synthesis, Integration, and Intensification

Process synthesis, integration, and intensification are the three pillars of process design. Current synthesis and integration methods are able to find optimal design targets and process configurations when all the alternatives are known beforehand. Process intensification, on the other hand, combines multiple physicochemical phenomena and exploits their interactions to create innovative designs. Often times, these designs are not known beforehand, and a phenomena-level representation of chemical processes are required to identify them. This disconnection between the three paradigms limits the ability to systematically discover optimal design pathways. We demonstrate that the building block representation, originally proposed in our earlier work on process intensification, has the potential to bridge this gap. Depending on the attributes assigned to the interior and the boundaries of these two-dimensional abstract building blocks, they can represent various intensified or isolated phenomena at the lowest level, various tasks at the equipment level, and various unit operations at the flowsheet level. Here, this common multiscale representation enables an mixed-integer nonlinear optimization-based single framework for the sequential or simultaneous synthesis, integration, and intensification of chemical processes. Such a general framework is critical to reduce the risk of eliminating potential intensification pathways and candidate flowsheets at the conceptual design stage. The framework is demonstrated using a case study on an ethylene glycol process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Concentric Ring Gas Atomization Die Design for Optimized Particle Production

In partnership with Linde plc (formerly Praxair, Inc.), Ames Laboratory will further develop and commercialize its concentric-ring high pressure gas atomization (CR-HPGA) gas-die technology with a goal to improve the precision of metal powder production in a desired size range and quality. The successful commercialization of this technology could reduce production cost of metal powders and improve reliability of this industrial process, increasing specialty alloy powder availability for new applications and adoption into additive manufacturing and multiple materials sectors. The project scope is to [1] utilize AMES compressible gas flow and melt break-up models to explore a wide swath of parameter space available for the CR-HPGA technology, identifying the most promising gas-die designs for fabrication, [2] verify and optimize the new gas-die design, fabricate it and select preferred operating parameters by gas-only flow imaging and aspiration pressure measurements, down-selecting gas compositions and atomization parameters for full scale testing, [3] perform pilot-scale atomization trials with Al and/or Cu alloys of a new CR-HPGA gas-die at selected parameters, [4] evaluate gas-die performance by comparing resulting powder size distribution and powder quality attributes with equivalent powders made by conventional close-coupled HPGA technology, and [5] assess (through Praxair partnership) reduction in operational costs of new CR-HPGA gas-die through the use of an inert gas recovery/recycling system. In partnership with Praxair, Inc., the team, led by Ames Laboratory senior metallurgist Iver Anderson, intend to demonstrate the performance of an optimized CR-HPGA gas-die design in a pilot scale atomizer and better understand the design and operational controls to increase overall benefits for precision metal powder production.

42 ENGINEERING↗

Design of helicopter rotor blades for optimum dynamic characteristics

The optimal design of helicopter rotor blades is addressed. The forced response of an initial (i.e., non-optimized) blade to those of a final (optimized) blade are compared. Response of starting design and optimal designs for varying forcing frequencies, blade response to harmonics of rotor speed, and derivation of mass and stiffness matrices or functions of natural frequencies are discussed.

Peters, D. A.↗

A FODO racetrack ring for nuSTORM: design and optimization

Here, the goal of nuSTORM is to provide well-defined neutrino beams for precise measurements of neutrino cross-sections and oscillations. The nuSTORM decay ring is a compact racetrack storage ring with a circumference of ~ 480 m that incorporates large aperture (60 cm diameter) magnets. There are many challenges in the design. In order to incorporate the Orbit Combination section (OCS), used for injecting the pion beam into the ring, a dispersion suppressor is needed adjacent to the OCS . Concurrently, in order to maximize the number of useful muon decays, strong bending dipoles are needed in the arcs to minimize the arc length. These dipoles create strong chromatic effects, which need to be corrected by nonlinear sextupole elements in the ring. In this paper, a FODO racetrack ring design and its optimization using sextupolar fields via both a Genetic Algorithm (GA) and a Simulated Annealing (SA) algorithm will be discussed.

43 PARTICLE ACCELERATORS↗

Solvent Entropy Contributions to Catalytic Activity in Designed and Optimized Kemp Eliminases

This work reports on the role of solvation for enzymatic catalysis in two distinct, artificially designed Kemp Eliminases, KE07 and KE70, and mutated variants that were optimized by laboratory directed evolution. Using a spatially resolved analysis of hydration patterns, intermolecular vibrations, and local solvent entropies, we identify distinct classes of hydration water and follow their changes upon substrate binding and transition state formation for the designed KE07 and KE70 enzymes and their evolved variants. We observe that differences in hydration of the enzymatic systems are concentrated in the active site and undergo significant changes during substrate recruitment. For KE07, directed evolution reduces variations in the hydration of the polar catalytic center upon substrate binding, preserving strong protein-water interactions, while the evolved enzyme variant of KE70 features a more hydrophobic reaction center for which the expulsion of low-entropy water molecules upon substrate binding is substantially enhanced. While our analysis suggests a system-dependent role of solvation for the substrate binding process, we identify more subtle changes in solvation for the transition state formation, which are less affected by directed evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Constant-Envelope Waveform Design for Optimal Target-Detection and Autocorrelation Performances

We propose an algorithm to directly synthesize in time-domain a constant-envelope transmit waveform that achieves the optimal performance in detecting an extended target in the presence of signal-dependent interference. This approach is in contrast to the traditional indirect methods that synthesize the transmit signal following the computation of the optimal energy spectral density. Additionally, we aim to maintain a good autocorrelation property of the designed signal. Therefore, our waveform design technique solves a bi-objective optimization problem in order to simultaneously improve the detection and autocorrelation performances, which are in general conflicting in nature. We demonstrate this compromising characteristics of the detection and autocorrelation performances with numerical examples. Furthermore, in the absence of the autocorrelation criterion, our designed signal is shown to achieve a near-optimum detection performance.

Sen, Satyabrata↗

High Speed Civil Transport Design Using Collaborative Optimization and Approximate Models

The design of supersonic aircraft requires complex analysis in multiple disciplines, posing, a challenge for optimization methods. In this thesis, collaborative optimization, a design architecture developed to solve large-scale multidisciplinary design problems, is applied to the design of supersonic transport concepts. Collaborative optimization takes advantage of natural disciplinary segmentation to facilitate parallel execution of design tasks. Discipline-specific design optimization proceeds while a coordinating mechanism ensures progress toward an optimum and compatibility between disciplinary designs. Two concepts for supersonic aircraft are investigated: a conventional delta-wing design and a natural laminar flow concept that achieves improved performance by exploiting properties of supersonic flow to delay boundary layer transition. The work involves the development of aerodynamics and structural analyses, and integration within a collaborative optimization framework. It represents the most extensive application of the method to date.

Manning, Valerie Michelle↗

Leveraging design of experiments to build chemometric models for the quantification of uranium (VI) and HNO3 by Raman spectroscopy

Partial least squares regression (PLSR) and support vector regression (SVR) models were optimized for the quantification of U(VI) (10–320 g L −1 ) and HNO 3 (0.6–6 M) by Raman spectroscopy with optimized calibration sets chosen by optimal design of experiments. The designed approach effectively minimized the number of samples in the calibration set for PLSR and SVR by selecting sample concentrations with a quadratic process model, despite complex confounding and covarying spectral features in the spectra. The top PLS2 model resulted in percent root mean square errors of prediction for U(VI), HNO 3 , and NO 3 − of 3.7%, 3.6%, and 2.9%, respectively. PLS1 models performed similarly despite modeling an analyte with a majority linear response (i.e., uranyl symmetric stretch) and another with more covarying vibrational modes (i.e., HNO 3 ). Partial least squares (PLS) model loadings and regression coefficients were evaluated to better understand the relationship between weaker Raman bands and covarying spectral features. Support vector machine models outperformed PLS1 models, resulting in percent root mean square error of prediction values for U(VI) and HNO 3 of 1.5% and 3.1%, respectively. The optimal nonlinear SVR model was trained using a similar number of samples (11) compared with the PLSR model, even though PLS is a linear modeling approach. The generic D-optimal design presented in this work provides a robust statistical framework for selecting training set samples in disparate two-factor systems. This approach reinforces Raman spectroscopy for the quantification of species relevant to the nuclear fuel cycle and provides a robust chemometric modeling approach to bolster online monitoring in challenging process environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗