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At least 73 records · Page 4

Preliminary Design of the TEX-MOX Criticality Experimental Program using Optimization Algorithms Implemented in the IRSN PROMETHEE Tool

In the frame of its missions, IRSN is widely involved in design, evaluation and analyses of critical experiments in order to contribute to computer codes and nuclear data validation. The work described in this paper was carried out in the framework of the PRINCESS IRSN research project and is part of the IRSN/LLNL collaboration on the TEX program in the frame of the NCSP. The need for epithermal and intermediate energy range critical benchmarks is an established international criticality safety data need, underpinned by the subsequent use of data assimilation methods like GLLSM to reduce Nuclear Data uncertainties. The goal of the TEX program is to address this need by executing experiments with NCSP fissile assets, which can be used to create critical assemblies that span a wide range of fission energy spectra, from the thermal energy range (below 0.625 eV), through the intermediate energy range (0.625 eV to 100 keV), to the fast one (above 100 keV). The TEX program involves different materials of interest, such as TEX-Ta experiments using plutonium ZPPR plates proposed by LLNL. This paper presents an overview of the studies performed at IRSN using numerical optimization algorithms for the design of critical experiments involving Mixed U and Pu fuel plates, referred to as TEX-MOX program. This program ultimately aims to perform critical experiments to validate the MOX fuel configurations encountered in the MOX fuel fabrication process. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multi-GPU implementation of a VMAT treatment plan optimization algorithm

Purpose: Volumetric modulated arc therapy (VMAT) optimization is a computationally challenging problem due to its large data size, high degrees of freedom, and many hardware constraints. High-performance graphics processing units (GPUs) have been used to speed up the computations. However, GPU’s relatively small memory size cannot handle cases with a large dose-deposition coefficient (DDC) matrix in cases of, e.g., those with a large target size, multiple targets, multiple arcs, and/or small beamlet size. The main purpose of this paper is to report an implementation of a column-generation-based VMAT algorithm, previously developed in the authors’ group, on a multi-GPU platform to solve the memory limitation problem. While the column-generation-based VMAT algorithm has been previously developed, the GPU implementation details have not been reported. Hence, another purpose is to present detailed techniques employed for GPU implementation. The authors also would like to utilize this particular problem as an example problem to study the feasibility of using a multi-GPU platform to solve large-scale problems in medical physics. Methods: The column-generation approach generates VMAT apertures sequentially by solving a pricing problem (PP) and a master problem (MP) iteratively. In the authors’ method, the sparse DDC matrix is first stored on a CPU in coordinate list format (COO). On the GPU side, this matrix is split into four submatrices according to beam angles, which are stored on four GPUs in compressed sparse row format. Computation of beamlet price, the first step in PP, is accomplished using multi-GPUs. A fast inter-GPU data transfer scheme is accomplished using peer-to-peer access. The remaining steps of PP and MP problems are implemented on CPU or a single GPU due to their modest problem scale and computational loads. Barzilai and Borwein algorithm with a subspace step scheme is adopted here to solve the MP problem. A head and neck (H and N) cancer case is then used to validate the authors’ method. The authors also compare their multi-GPU implementation with three different single GPU implementation strategies, i.e., truncating DDC matrix (S1), repeatedly transferring DDC matrix between CPU and GPU (S2), and porting computations involving DDC matrix to CPU (S3), in terms of both plan quality and computational efficiency. Two more H and N patient cases and three prostate cases are used to demonstrate the advantages of the authors’ method. Results: The authors’ multi-GPU implementation can finish the optimization process within ∼1 min for the H and N patient case. S1 leads to an inferior plan quality although its total time was 10 s shorter than the multi-GPU implementation due to the reduced matrix size. S2 and S3 yield the same plan quality as the multi-GPU implementation but take ∼4 and ∼6 min, respectively. High computational efficiency was consistently achieved for the other five patient cases tested, with VMAT plans of clinically acceptable quality obtained within 23–46 s. Conversely, to obtain clinically comparable or acceptable plans for all six of these VMAT cases that the authors have tested in this paper, the optimization time needed in a commercial TPS system on CPU was found to be in an order of several minutes. Conclusions: The results demonstrate that the multi-GPU implementation of the authors’ column-generation-based VMAT optimization can handle the large-scale VMAT optimization problem efficiently without sacrificing plan quality. The authors’ study may serve as an example to shed some light on other large-scale medical physics problems that require multi-GPU techniques.

60 APPLIED LIFE SCIENCES↗

Insights into Constraining Rate Coefficients in Fuel Oxidation Mechanisms Using Genetic Algorithm Optimization

Accurate fuel oxidation mechanisms can enable predictive capabilities that aid in advancing combustion technologies. High-level computational kinetics can yield reasonable rate coefficients with uncertainties, in some cases, below a factor of 2. Computed rate coefficients can be constrained further by optimizing against experimental data. Here, we explore the application of genetic algorithm (GA) optimization to constrain computed rate coefficients in complex fuel oxidation mechanisms in conjunction with temperature-dependent species mole fractions from jet-stirred reactor (JSR) measurements. Cyclohexane is a model candidate for understanding the reactivity of cyclic fuels. In this work, we optimize the rate coefficients of the most recent literature cyclohexane mechanism, which incorporates theoretically computed rate coefficients for the reaction networks stemming from the first and second O 2 addition pathways, against the experimental results of two separate literature JSR studies. Optimization consistency is evaluated by carrying out three GA optimizations: fitting to the temperature-dependent species mole fractions in each JSR experiment separately and simultaneously fitting the species mole fractions in both experiments. Local sensitivity analyses are used to identify five influential low-temperature oxidation reactions for optimization. Although the three optimizations do not yield identical rate coefficients, the direction of change in all five rate coefficients is consistent among the three optimizations. Performance of the models from the three optimizations is assessed against literature ignition delay times with differences in the level of agreement observed among the different optimizations. In conclusion, comparisons are made with our recent optimization work of a cyclopentane oxidation master-equation model against time-resolved species concentrations, and insights and improvements of the strategy for constraining rate coefficients using GA optimization are discussed.

33 ADVANCED PROPULSION SYSTEMS↗

Constructing and proving the ground state of a generalized Ising model by the cluster tree optimization algorithm

Generalized Ising models, also known as cluster expansions, are an important tool in many areas of condensed-matter physics and materials science, as they are often used in the study of lattice thermodynamics, solid-solid phase transitions, magnetic and thermal properties of solids, and fluid mechanics. However, the problem of finding the global ground state of generalized Ising model has remained unresolved, with only a limited number of results for simple systems known. We propose a method to efficiently find the periodic ground state of a generalized Ising model of arbitrary complexity by a new algorithm which we term cluster tree optimization. Importantly, we are able to show that even in the case of an aperiodic ground state, our algorithm produces a sequence of states with energy converging to the true ground state energy, with a provable bound on error. Compared to the current state-of-the-art polytope method, this algorithm eliminates the necessity of introducing an exponential number of variables to counter frustration, and thus significantly improves tractability. We believe that the cluster tree algorithm offers an intuitive and efficient approach to finding and proving ground states of generalized Ising Hamiltonians of arbitrary complexity, which will help validate assumptions regarding local vs. global optimality in lattice models, as well as offer insights into the low-energy behavior of highly frustrated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum optimization algorithms: Energetic implications

Since the dawn of quantum computing (QC), theoretical developments like Shor's algorithm proved the conceptual superiority of QC over traditional computing. However, such quantum supremacy claims are difficult to achieve in practice because of the technical challenges of realizing noiseless qubits. In the near future, QC applications will need to rely on noisy quantum devices that offload part of their work to classical devices. One way to achieve this is by using parameterized quantum circuits in optimization or even in machine learning tasks. The energy requirements of quantum algorithms have not yet been studied extensively. Here in this article, we explore several optimization algorithms using both theoretical insights and numerical experiments to understand their impact on energy consumption. Specifically, we highlight why and how algorithms like quantum natural gradient descent, simultaneous perturbation stochastic approximations or circuit learning methods, are at least 2x to 4x more energy efficient than their classical counterparts; why feedback-based quantum optimization is energy-inefficient; and how techniques like Rosalin can improve the energy efficiency of other algorithms by a factor of ≥2 0 x. Finally, we use the NchooseK high-level programming model to run optimization problems on both gate-based quantum computers and quantum annealers. Empirical data indicate that these optimization problems run faster, have better success rates, and consume less energy on quantum annealers than on their gate-based counterparts.

97 MATHEMATICS AND COMPUTING↗

Optimization Algorithm for Criticality Experiment Design Using Whisper

Many criticality experiments performed to aid in nuclear data evaluation are designed to maximize the sensitivity of the system’s effective neutron multiplication factor to a certain nuclide reaction pair over an energy region of interest. This is typically done by evaluating possible designs in a transport code such as MCNP and selecting the one with the highest desired sensitivity. A designer has many tools to try to maximize this sensitivity such as different moderators, reflectors, fuels, and geometries. This balancing act of identifying a critical and maximally sensitive system become very computationally expensive as more variables are added and higher precisions are desired. In order to identify these optimal configurations more efficiently a Particle Swarm Optimization (PSO) algorithm coupled with MCNP has been developed by Los Alamos National Laboratory (LANL). This algorithm has been used to design two upcoming criticality experiments that will be performed at the National Criticality Experiments Research Center (NCERC), located at the Nevada National Security Site, and operated by LANL, the only general-purpose critical experiments laboratory in the United States. PSO uses a population (swarm) of candidate solutions (particles) on a search space of dimensions such as moderator and reflector thicknesses or enrichments and concentrations. These particles move around the search space from generation to generation according to simple rules. Eventually, the swarm converges on the configuration that is both critical and maximally sensitive to a piece of nuclear data. PSO is well suited for criticality experiments as the algorithm is agnostic to the underlying physics, meaning it is effective on many different experimental setups. This algorithm has been modified to maximize the nuclear data similarity coefficient between an application case and an experiment aimed at replicating the application case using WHISPER, a nuclear criticality safety analysis tool. This allows for the efficient design of critical experiments informed by nuclear data sensitives.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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↗

A Novel Method for Controlling Crud Deposition in Nuclear Reactors Using Optimization Algorithms and Deep Neural Network Based Surrogate Models

This work presents the use of a high-fidelity neural network surrogate model within a Modular Optimization Framework for treatment of crud deposition as a constraint within light-water reactor core loading pattern optimization. The neural network was utilized for the treatment of crud constraints within the context of an advanced genetic algorithm applied to the core design problem. This proof-of-concept study shows that loading pattern optimization aided by a neural network surrogate model can optimize the manner in which crud distributes within a nuclear reactor without impacting operational parameters such as enrichment or cycle length. Several analysis methods were investigated. Analysis found that the surrogate model and genetic algorithm successfully minimized the deviation from a uniform crud distribution against a population of solutions from a reference optimization in which the crud distribution was not optimized. Strong evidence is presented that shows boron deposition in crud can be optimized through the loading pattern. This proof-of-concept study shows that the methods employed provide a powerful tool for mitigating the effects of crud deposition in nuclear reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MDTri: robust and efficient global mixed integer search of spaces of multiple ternary alloys: A DIRECT-inspired optimization algorithm for experimentally accessible computational material design

Computational materials design has suffered from a lack of algorithms formulated in terms of experimentally accessible variables. Here we formulate the problem of (ternary) alloy optimization at the level of choice of atoms and their composition that is normal for synthesists. Mathematically, this is a mixed integer problem where a candidate solution consists of a choice of three elements, and how much of each of them to use. This space has the natural structure of a set of equilateral triangles. We solve this problem by introducing a novel version of the DIRECT algorithm that (1) operates on equilateral triangles instead of rectangles and (2) works across multiple triangles. We demonstrate on a test case that the algorithm is both robust and efficient. Lastly, we offer an explanation of the efficacy of DIRECT -- specifically, its balance of global and local search -- by showing that 'potentially optimal rectangles' of the original algorithm are akin to the Pareto front of the 'multi-component optimization' of global and local search.

97 MATHEMATICS AND COMPUTING↗

Global optimization algorithms to compute thermodynamic equilibria in large complex systems with performance considerations

Several global optimization methods are reviewed that attempt to ensure that the integral Gibbs energy of a closed isothermal isobaric system is a global minimum to satisfy the necessary and sufficient conditions for thermodynamic equilibrium. In particular, the integral Gibbs energy function of a multicomponent system containing non-ideal phases may be highly non-linear and non-convex, which makes finding a global minimum a challenge. Consequently, a poor numerical approach may lead one to the false belief of equilibrium. Furthermore, confirming that one reaches a global minimum and that this is achieved with satisfactory computational performance becomes increasingly more challenging in systems containing many chemical elements and a correspondingly large number of species and phases. Several numerical methods that have been used for this specific purpose are reviewed with a benchmark study of three of the more promising methods using five case studies of varying complexity. A modification of the conventional Branch and Bound method is presented that is well suited to a wide array of thermodynamic applications, including complex phases with many constituents and sublattices, and ionic phases that must adhere to charge neutrality constraints. Also, a novel method is presented that efficiently solves the system of linear equations that exploits the unique structure of the Hessian matrix, which reduces the calculation from a O(N 3 ) operation to a O(N) operation. As a result, this combined approach demonstrates efficiency, reliability and capabilities that are favorable for integration of thermodynamic computations into multi-physics codes with inherent performance considerations.

97 MATHEMATICS AND COMPUTING↗

A retrospective planning analysis comparing intensity modulated radiation therapy (IMRT) to volumetric modulated arc therapy (VMAT) using two optimization algorithms for the treatment of early-stage prostate cancer

The primary aim of this study is to compare intensity modulated radiation therapy (IMRT) to volumetric modulated arc therapy (VMAT) for the radical treatment of prostate cancer using version 10.0 (v10.0) of Varian Medical Systems, RapidArc radiation oncology system. Particular focus was placed on plan quality and the implications on departmental resources. The secondary objective was to compare the results in v10.0 to the preceding version 8.6 (v8.6). Twenty prostate cancer cases were retrospectively planned using v10.0 of Varian's Eclipse and RapidArc software. Three planning techniques were performed: a 5-field IMRT, VMAT using one arc (VMAT-1A), and VMAT with two arcs (VMAT-2A). Plan quality was assessed by examining homogeneity, conformity, the number of monitor units (MUs) utilized, and dose to the organs at risk (OAR). Resource implications were assessed by examining planning and treatment times. The results obtained using v10.0 were also compared to those previously reported by our group for v8.6. In v10.0, each technique was able to produce a dose distribution that achieved the departmental planning guidelines. The IMRT plans were produced faster than VMAT plans and displayed improved homogeneity. The VMAT plans provided better conformity to the target volume, improved dose to the OAR, and required fewer MUs. Treatments using VMAT-1A were significantly faster than both IMRT and VMAT-2A. Comparison between versions 8.6 and 10.0 revealed that in the newer version, VMAT planning was significantly faster and the quality of the VMAT dose distributions produced were of a better quality. VMAT (v10.0) using one or two arcs provides an acceptable alternative to IMRT for the treatment of prostate cancer. VMAT-1A has the greatest impact on reducing treatment time.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Optimization Algorithms for Hierarchical Problems, with Application to Nanoporous Materials

This project investigated computational methods for optimizing the design of nanoporous materials. These materials hold promise in energy storage applications such as electrical supercapacitors and hydrogen storage systems. A significant issue for nanoporous storage devices is the design of the channel network within these materials to allow rapid diffusion while retaining storage capacity.

97 MATHEMATICS AND COMPUTING↗

Implementation of an Orificing Optimization Algorithm in the DASSH Subchannel Analysis Code

The Ducted Assembly Steady-State Heat transfer code (DASSH) performs full-core subchannel thermal hydraulics calculations in liquid metal fast reactors. One of the applications of subchannel codes is to optimize coolant flow orificing. As a design activity, the primary task is to determine the best way to divide assemblies into groups and distribute coolant flow rates among them. This report documents an algorithm implemented in DASSH to automatically optimize coolant orificing. Over the course of multiple iterations, DASSH determines the orifice grouping and flow distribution that minimizes peak coolant, clad, or fuel temperatures across all timesteps for a user-specified number of assembly groups. The total coolant flow rate in the reactor is constrained to achieve the specified core-average outlet temperature. The flow rate to each orifice group may also be constrained by the allowable pressure drop. The distribution of coolant flow among groups is accelerated using a predictor-corrector algorithm based on interpolated results from single-assembly parametric calculations. The assembly orificing grouping is initially predicted based on assembly power but can be refined if results demonstrate that an assembly would fit better in another group. The algorithm is demonstrated with two case studies. The first is a simple model for a reactor core consisting of just fuel assemblies; the pin power distributions are specified to create a situation where the initial assembly grouping prediction is suboptimal. This example is used to describe the initial grouping, demonstrate convergence over multiple iterations, and highlight the impact of regrouping. Then, the algorithm is applied to minimize peak clad and fuel temperatures in an example sodium-cooled fast reactor, the Versatile Test Reactor. The multicycle optimization confirms prior calculations for the reference core design. The example highlights how optimizing for different peak temperatures affects the results and demonstrates the use of the pressure drop constraint to limit the maximum flow rate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Broadband infrared binary-pattern metasurface absorbers with micro-genetic algorithm optimization

Broadband binary-pattern metasurface absorbers are designed and demonstrated in the mid-infrared wavelength range through the micro-genetic algorithm. The tungsten-based metasurface absorbers with the optimized binary-pattern nanostructures exhibit broadband near-perfect absorption due to the multiple plasmonic resonances supported within the unit cell. Furthermore, the influence of minor pixel modifications in the optimized binary-pattern nanostructures on the absorption performance is investigated in the experiment. This Letter presents a promising approach to design and optimize complex optical nanostructures with the desired properties for metamaterial and metasurface applications.

42 ENGINEERING↗

An efficient global optimization algorithm for maximizing the sum of two generalized Rayleigh quotients

Maximizing the sum of two generalized Rayleigh quotients (SRQ) can be reformulated as a one-dimensional optimization problem, where the function value evaluations are reduced to solving semi-definite programming (SDP) subproblems. In this paper, we first use the dual SDP subproblem to construct an explicit overestimation and then propose a branch-and-bound algorithm to globally solve (SRQ). Numerical results demonstrate that it is even more efficient than the recent SDP-based heuristic algorithm.

97 MATHEMATICS AND COMPUTING↗

Ensemble-Based Support Vector Regression with Gravitational Search Algorithm Optimization for Estimating Magnetic Relative Cooling Power of Manganite Refrigerant in Magnetic Refrigeration Application

Magnetic refrigeration technology (MRT) is considered an energy-efficient and environmental-friendly system of refrigeration that has a considerable potential of replacing the classical gas-compression expansion method of refrigeration. Inclusion of manganite-based material (MBM) in MRT as a magnetic refrigerant has attracted significant attention recently due to cost effectiveness of the refrigerant as well as better resistance to oxidation and corrosion as compared to the commonly used metal gadolinium refrigerant. Relative cooling power (RCP) is one of the most important parameters to be considered while assessing the usefulness of MBM. Its value can be altered through doping with external materials and accurate estimation of the dopant influence is required to achieve the right amount of RCP. This present research work proposes support vector regression (SVR) ensemble models with gravitational search algorithm (GSA) hyper-parameters optimization, for estimating RCP of MBM and to determine the influence of dopants on RCP using ionic radii and dopant concentrations as descriptors. GSA-SVR ensemble model (GSE) is developed by employing the outputs of five different SVR models as descriptors while GSA-SVR ensemble model with averaging (GSEA) uses the average of the five different SVR models as its descriptor. The novel ensemble models outperform other SVR models, specifically; GSE performs better than GSA-SVR model and the conventional SVR model with performance improvement of 269.14% and 283.61%, respectively on the basis of root mean square error (RMSE). Furthermore, GSEA outperforms GSE, GSA-SVR model and conventional SVR with performance improvement of 27.51%, 370.70%, and 389.14%, respectively on the basis of RMSE. The developed GSE and GSEA also perform better than the existing RCP model in the literature with performance improvement of 11.53% and 42.21%, respectively. The results of this research work will not only serve to circumvent the experimental challenges of RCP measurement without loss of experimental precision but also further promotes environment-friendly system of refrigeration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Genetic algorithm optimization of a chemical kinetic mechanism for propane at engine relevant conditions

Propane has demonstrated significant potential for reductions in greenhouse gas and pollutant emissions in medium- and heavy-duty engine applications, but further improvements require accurate, compact, and scalable chemical kinetic mechanisms to design the next generation of propane fueled engines, particularly at the boosted operating conditions necessary to meet the power density demand of medium- and heavy-duty applications. In this work, six key chemical reactions were identified in a reduced mechanism with 70 species and 352 reactions through a sensitivity analysis performed at conditions typical of thermodynamic trajectories observed in a high compression ratio, long stroke engine operated on propane from throttled to boosted operating conditions. While the original mechanism was validated against rapid compression machine (RCM) data, it was found to overpredict experimental autoignition tendencies in 2-zone, 0-D SI engine simulations performed in Chemkin Pro. Subsequently, a genetic algorithm approach was used to optimize the six reaction rate parameters within established uncertainty bounds by performing RCM simulations and comparing to two independent sets of literature ignition delay times for propane, thus generating two new kinetic mechanisms. The first optimization achieved a mean absolute percent error (MPE) reduction in 2nd stage ignition delay of 61.4% in seven generations, while the second optimization utilized a newer experimental RCM dataset, and achieved MPE reduction of 56.7% in seven generations, and further marginal improvement to 57.8% reduction in 34 generations. Finally, the two mechanisms were then evaluated again in the 2-zone 0-D SI engine model in Chemkin Pro comparing typical mean and knocking cycle trajectories, and it was found that the second optimized mechanism provided better prediction of knock onset at the representative conditions evaluated in this work, particularly for higher load operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Use of advanced optimization algorithms for the design of critical experiments

The need for validating molybdenum and rhodium cross sections in the thermal energy range has arisen for many years for reprocessing activities and burnup credit calculations. An Integral Experimental Request (IER) sheet was submitted by IRSN to the NCSP (Nuclear Criticality Safety Program) in 2015. A preliminary design was therefore proposed for review. In order to define experiments that meet the requirements and that exhibit optimized sensitivities of k{sub eff} to the capture cross sections of {sup 95}Mo and {sup 103}Rh, advanced algorithms of the PROMETHEE workbench, developed at IRSN, were used. The methodology as well as the main results are presented in this paper, which focuses only on the molybdenum experiments design. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗