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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

An Ensemble Optimization Framework for Coupled Design of Hydropower Contracts and Real-Time Reservoir Operating Rules

Often, revenues from hydropower generation depend on the operator's ability to provide firm power in the presence of uncertain inflows. The primary options available for optimizing revenue are negotiation of a firm power contract before operations begin and adjustment of the reservoir release during operations. Contract and release strategy optimization are closely coupled and most appropriately analyzed with stochastic real-time control methods. Here we use an ensemble-based approach to stochastic optimization that provides a convenient way to construct nonparametric revenue probability distributions to explore the implications of uncertainty. The firm power contract is a simplified bilateral fixed price agreement that partially insulates operator and buyer from price fluctuations. The release control laws and firm energy target are jointly optimized to maximize the operator's expected revenue. Revenue probability distributions and related spill performance statistics indicate that predictive operating strategies such as stochastic dynamic programming and model predictive control can give significantly better performance than standard deterministic operating rules. The performance obtained from batch optimization with perfect inflow information establishes a convenient upper bound on potential revenue and provides a baseline for assessing the significance of differences between real-time operating strategies. Sensitivity analysis indicates that the benefits of predictive operational strategies are greatest for reservoirs with medium nondimensional residence times and less important for reservoirs with large residence times. Overall, probabilistic analysis of the coupled hydropower contract-operations problem provides a realistic way to assess revenue and risk for reservoirs that must provide firm power when inflows are uncertain.

13 HYDRO ENERGY↗
DOE OSTI2022

Evaluation and Optimization of Snow Albedo Scheme in Noah-MP Land Surface Model Using In Situ Spectral Observations in the Colorado Rockies

The Biosphere-Atmosphere Transfer Scheme (BATS) ground snow albedo algorithm is commonly used in land-surface models (LSM), weather forecasting and research applications. This study addresses key uncertainties in BATS simulated ground snow albedo within the Noah-MP LSM framework through evaluation and optimization of the Noah-MP BATS ground snow albedo formulation using 2-band (visible and near-infrared (NIR)) in situ albedo observations at Rocky Mountain field stations. The Noah-MP BATS ground snow albedo scheme is extremely sensitive to its input parameters. Namely, an ensemble generated by varying BATS input parameters within potentially plausible ranges provides an average daily range (maximum ensemble member minus minimum ensemble member) of ground snow albedo exceeding 0.45 in visible and NIR bands. Parameter optimization improves agreement between simulated and in situ observed ground snow albedo in visible, NIR and broadband spectrums. Importantly, optimized parameters result in reduced biases relative to observed fresh-snow albedo and better agreement with observed albedo decay. Our analysis across different sites supports that the optimized BATS ground snow albedo parameters are appropriate to transfer in space and time, at least within the region studied (the central-southern Rocky Mountains). The primary error source remaining after parameter optimization is that observed fresh-snow albedo is highly variable, particularly in the NIR spectrum, whereas BATS fresh-snow albedo is constant, an issue which requires further investigation. This study shows significant correlations between observed fresh-snow albedo and surface meteorological conditions (e.g., downward shortwave radiation and temperature) which can support future model development that attempts to include a time-varying formulation for fresh-snow albedo.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Constrained quantum optimization for extractive summarization on a trapped-ion quantum computer

Abstract Realizing the potential of near-term quantum computers to solve industry-relevant constrained-optimization problems is a promising path to quantum advantage. In this work, we consider the extractive summarization constrained-optimization problem and demonstrate the largest-to-date execution of a quantum optimization algorithm that natively preserves constraints on quantum hardware. We report results with the Quantum Alternating Operator Ansatz algorithm with a Hamming-weight-preserving XY mixer (XY-QAOA) on trapped-ion quantum computer. We successfully execute XY-QAOA circuits that restrict the quantum evolution to the in-constraint subspace, using up to 20 qubits and a two-qubit gate depth of up to 159. We demonstrate the necessity of directly encoding the constraints into the quantum circuit by showing the trade-off between the in-constraint probability and the quality of the solution that is implicit if unconstrained quantum optimization methods are used. We show that this trade-off makes choosing good parameters difficult in general. We compare XY-QAOA to the Layer Variational Quantum Eigensolver algorithm, which has a highly expressive constant-depth circuit, and the Quantum Approximate Optimization Algorithm. We discuss the respective trade-offs of the algorithms and implications for their execution on near-term quantum hardware.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Computational design of thermoelectric alloys through optimization of transport and dopability

Alloying is a common technique to optimize the functional properties of materials for thermoelectrics, photovoltaics, energy storage etc. Designing thermoelectric (TE) alloys is especially challenging because it is a multi-property optimization problem, where the properties that contribute to high TE performance are interdependent. In this work, we develop a computational framework that combines first-principles calculations with alloy and point defect modeling to identify alloy compositions that optimize the electronic, thermal, and defect properties. We apply this framework to design n-type Ba 2(1–x) Sr 2x CdP 2 Zintl thermoelectric alloys. Our predictions of the crystallographic properties such as lattice parameters and site disorder are validated with experiments. To optimize the conduction band electronic structure, we perform band unfolding to sketch the effective band structures of alloys and find a range of compositions that facilitate band convergence and minimize alloy scattering of electrons. Here, we assess the n-type dopability of the alloys by extending the standard approach for computing point defect energetics in ordered structures. Through the application of this framework, we identify an optimal alloy composition range with the desired electronic and thermal transport properties, and n-type dopability. Such a computational framework can also be used to design alloys for other functional applications beyond TE.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Stochastic Optimization with Risk Aversion for Virtual Power Plant Operations: A Rolling Horizon Control

While the concept of aggregating and controlling renewable distributed energy resources (DERs) to provide grid services is not new, increasing policy support of DER market participation has driven research and development in algorithms to pool DERs for economically viable market participation. Sandia National Laboratories recently undertook a three-year research program to create the components of a real-world virtual power plant (VPP) that can simultaneously participate in multiple markets. Our research extends current state-of-the-art rolling horizon control through the application of stochastic programming with risk aversion at various time resolutions. Our rolling horizon control consists of (1) day-ahead optimization to produce an hourly aggregate schedule for the VPP operator and (2) sub-hourly optimization for real-time dispatch of each VPP subresource. Both optimization routines leverage a two-stage stochastic program (SP) with risk aversion, and integrate the most up-to-date forecasts to generate probabilistic scenarios in real operating time. Our results demonstrate the benefits to the VPP operator of constructing a stochastic solution regardless of the weather. In more extreme weather, applying risk optimization strategies can dramatically increase the financial viability of the VPP. As a result, the methodologies presented here can be further tailored for optimal control of any VPP asset fleet and its operational requirements.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2013

An optimization method of relativistic backward wave oscillator using particle simulation and genetic algorithms

Optimal design method of high-power microwave source using particle simulation and parallel genetic algorithms is presented in this paper. The output power, simulated by the fully electromagnetic particle simulation code UNIPIC, of the high-power microwave device is given as the fitness function, and the float-encoding genetic algorithms are used to optimize the high-power microwave devices. Using this method, we encode the heights of non-uniform slow wave structure in the relativistic backward wave oscillators (RBWO), and optimize the parameters on massively parallel processors. Simulation results demonstrate that we can obtain the optimal parameters of non-uniform slow wave structure in the RBWO, and the output microwave power enhances 52.6% after the device is optimized.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Optimal discrimination of M coherent states with a small quantum computer

The ability to distinguish between coherent states optimally plays in important role in the efficient usage of quantum resources for classical communication and sensing applications. While it has been known since the early 1970’s how to optimally distinguish between two coherent states, generalizations to larger sets of coherent states have so far failed to reach optimality. In this work we outline how optimality can be achieved by using a small quantum computer, building on recent proposals for optimal qubit state discrimination with multiple copies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Methodology for optimizing composite towers for use on floating wind turbines

In this work, a methodology for the design and optimization of a composite wind turbine tower for use on a floating offshore platform is presented. A composite turbine tower on a floating offshore platform not only has the potential to reduce maintenance and upkeep costs associated with the use of steel offshore but also has potential to reduce the tower mass and subsequently the support platform mass. The optimization problem is formulated to obtain a turbine tower that meets all strength and serviceability criteria and minimizes the tower mass. The optimization and design process link a number of dynamic analyses and finite element routines using a genetic algorithm. This work documents the optimization and design software and illustrates its use in various case studies for a 6 MW floating wind turbine system. Case studies include the optimization of a steel tower as a comparison to a composite material tower and the use of a cored, sandwich panel composite tower versus a solid composite tower. The results demonstrate that significant reductions in the tower mass are likely when comparing a steel tower with a composite tower. Also demonstrated for the platform and turbine configuration considered in this work is that the minimum mass tower design is driven towards a solid shell composite configuration, rather than a sandwich panel tower shell, in the face of reasonable design constraints.

17 WIND ENERGY↗
DOE OSTI2020

ELM control optimization for various ITER scenarios based on linear and quasi-linear figures of merit

For the purpose of better understanding type-I edge localized mode (ELM) control in ITER with resonant magnetic perturbation (RMP) fields, the plasma response to RMP is computed by a resistive full magneto-hydrodynamic model in toroidal geometry. Five scenarios designed for ITER are considered, ranging from the pre-nuclear to nuclear phases. The plasma response to RMP is quantified by the plasma surface displacement near the X-point of the divertor plasma and at the outboard mid-plane. The optimal coil configurations between two high- Q deuterium-tritium (DT) scenarios (at the same plasma current of 15 MA and the same magnetic field of 5.3 T but different fusion gains, Q = 5 and 10) are predicted to be similar. For the other ITER scenarios with similar edge safety factor q 95 ~ 3 to that of the baseline scenario, the optimal coil phasing is also similar. The optimization results are different for a half-current full-field (7.5 MA/5.3 T) scenario, largely due to the difference in q 95 . The RMP coil currents are also optimized to tailor the core vs edge toroidal torques exerted by the 3D RMP fields on the plasma column. Torque optimization, with various objective functions proposed in the study, is useful for minimizing the side effects of RMP on the plasma core flow in ITER, while still maintaining the ELM control capability. Full utilization of three rows of ELM control coils in ITER is found to be essential to ensure both flexibility and robustness of ELM control, in terms of both linear and quasilinear plasma responses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis sets

We investigate the use of optimized correlation-consistent Gaussian basis sets for the study of insulating solids with auxiliary-field quantum Monte Carlo (AFQMC). The exponents of the basis set are optimized through the minimization of the second-order Møller–Plesset perturbation theory (MP2) energy in a small unit cell of the solid. We compare against other alternative basis sets proposed in the literature, namely, calculations in the Kohn–Sham basis and in the natural orbitals of an MP2 calculation. We find that our optimized basis sets accelerate the convergence of the AFQMC correlation energy compared to a Kohn–Sham basis and offer similar convergence to MP2 natural orbitals at a fraction of the cost needed to generate them. We also suggest the use of an improved, method independent, MP2-based basis set correction that significantly reduces the required basis set sizes needed to converge the correlation energy. With these developments, we study the relative performance of these basis sets in LiH, Si, and MgO and determine that our optimized basis sets yield the most consistent results as a function of volume. Using these optimized basis sets, we systematically converge the AFQMC calculations to the complete basis set and thermodynamic limit and find excellent agreement with experiment for the systems studied. Although we focus on AFQMC, our basis set generation procedure is independent of the subsequent correlated wavefunction method used.

Morales, Miguel A. (ORCID:0000000263893067)↗
DOE OSTI2024

A multifidelity Bayesian optimization method for inertial confinement fusion design

Due to their cost, experiments for inertial confinement fusion (ICF) heavily rely on numerical simulations to guide design. As simulation technology progresses, so too can the fidelity of models used to plan for new experiments. However, these high-fidelity models are by themselves insufficient for optimal experimental design, because their computational cost remains too high to efficiently and effectively explore the numerous parameters required to describe a typical experiment. Therefore, traditionally, ICF design has relied on low-fidelity modeling to initially identify potentially interesting design regions, which are then subsequently explored via selected high-fidelity modeling. In this paper, we demonstrate that this two-step approach can be insufficient: even for simple design problems, a two-step optimization strategy can lead high-fidelity searching toward incorrect regions and consequently waste computational resources on parameter regimes far away from the true optimal solution. We reveal that a primary cause of this behavior in ICF design problems is the presence of low-fidelity optima in different regions of the parameter space far away from high-fidelity optima. To address this issue, we propose an iterative multifidelity Bayesian optimization method based on Gaussian Process Regression that leverages both low- and high-fidelity models simultaneously. We demonstrate, using both two- and eight-dimensional ICF test problems, that our algorithm can effectively utilize both low-fidelity and high-fidelity models to refine the designs. This approach proves to be more efficient than relying solely on high-fidelity modeling for optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Incident beam optics optimization for the single crystal neutron diffractometer Pioneer with a polarized beam option

Pioneer, a next-generation single-crystal neutron diffractometer, is under development for Oak Ridge National Laboratory’s Second Target Station. Designed to address a wide range of scientific questions, Pioneer will deliver homogeneous neutron beams with customizable size and divergence and provide a polarized beam option. This article introduces its incident beam optics, highlighting the optimization methodology and the simulated performance. Pioneer will utilize a modified elliptical-straight guide for neutron transport and deploy slit packages and insertable apertures to control beam size and divergence. The optimized guide geometry matches the optimal-and-full-sample-illumination condition, and the beam control system effectively filters out unwanted neutrons while preserving the desired ones. In addition, we have found that polygon-approximated guides provide satisfactory transport efficiency and beam homogeneity, eliminating the need for truly curved guides. Further, to enhance neutronics performance and reduce cost, the coatings of supermirror elements are individually optimized to the lowest half-integer m-values that are sufficient to deliver the desired neutrons. After evaluating polarizing V-cavities and 3 He spin filters over the default polarized wavelength band of 1.2–5.5 Å, we selected a translatable multichannel polarizing V-cavity as the incident beam polarizer. Strategically placed at a location where the beam divergence is low and a large in-guide gap has negligible impact on transport efficiency, the optimized V-cavity achieves an average P 2 T of ~35%.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Nearly optimal quantum control: an analytical approach

We propose here nearly optimal control strategies for changing the states of a quantum system. We argue that quantum control optimization can be studied analytically within some protocol families that depend on a small set of parameters for optimization. This optimization strategy can be preferred in practice because it is physically transparent and does not lead to combinatorial complexity in multistate problems. Finally, as a demonstration, we design optimized control protocols that achieve switching between orthogonal states of a naturally biased quantum two-level system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Optimizing multi-modal, non-axisymmetric plasma response metrics with additional coil rows on DIII-D

The expansion of the DIII-D tokamak operational space via the addition of new non-axisymmetric coil rows is investigated using the linear MHD plasma response code MARS-F. The plasma response to magnetic perturbations imposed by five distinct low- and high-field side coil geometries is modeled for toroidal mode numbers up to n = 6. A set of linear (~δB^2: resonant, kink mode amplitude) and quadratic (~δB: core and edge integrated NTV torque) plasma metrics are defined and compared directly for the various coil geometries. Coil size is also scanned as a secondary optimization variable. An in-vessel coil located at the low-field side midplane is identified as the most efficient plasma response actuator across all metrics and toroidal mode numbers. The multi-row combination of this new midplane (M) coil with the existing DIII-D non-axisymmetric coil set is considered in numerical optimization studies to quantify the impact of this new coil on modeled plasma response metrics. The addition of the M coil is shown to significantly increase the actuator efficiency in maximizing individual plasma response metrics as well as maximizing multi-modal ratios of response metrics, e.g. maximizing resonant modes or edge NTV torque while minimizing kink modes or core NTV torque. The ex-vessel midplane (C) coil is also observed to have an outsize effect on multi-modal optimization due to its uniquely narrow poloidal spectra, and the expansion of optimization space due to the combined use of the two existing in-vessel coil rows with both the M and C coils is notably larger than either coil's individual contribution even though both share similar poloidal locations. This four-row system is expected to greatly extend abilities to understand and optimize the control of transients and rotation on the DIII-D tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Integrating novel stellarator single-stage optimization algorithms to design the Columbia stellarator experiment

Abstract The Columbia Stellarator eXperiment (CSX), currently being designed at Columbia University, aims to test theoretical predictions related to QA plasma behavior, and to pioneer the construction of an optimized stellarator using three-dimensional, non-insulated high-temperature superconducting (NI-HTS) coils. The magnetic configuration is generated by a combination of two circular planar poloidal field (PF) coils and two 3D-shaped interlinked (IL) coils, with the possibility to add windowpane coils to enhance shaping and experimental flexibility. The PF coils and vacuum vessel are repurposed from the former Columbia Non-Neutral Torus experiment, while the IL coils will be custom-wound in-house using NI-HTS tapes. To obtain a plasma shape that meets the physics objectives with a limited number of coils, novel single-stage optimization techniques are employed, optimizing both the plasma and coils concurrently, in particular targeting a tight aspect ratio QA plasma and minimized strain on the HTS tape. Despite the increased complexity due to the expanded degrees of freedom, these methods successfully identify optimized plasma geometries that can be realized by coils meeting engineering specifications. This paper discusses the derivation of the constraints and objectives specific to CSX, and describe how two recently developed single-stage optimization methodologies are applied to the design of CSX. A set of selected configurations for CSX is then described in detail.

Baillod, A. (ORCID:0000000303529180)↗
DOE OSTI2017

Stochastic optimization of GeantV code by use of genetic algorithms

GeantV is a complex system based on the interaction of different modules needed for detector simulation, which include transport of particles in fields, physics models simulating their interactions with matter and a geometrical modeler library for describing the detector and locating the particles and computing the path length to the current volume boundary. The GeantV project is recasting the classical simulation approach to get maximum benefit from SIMD/MIMD computational architectures and highly massive parallel systems. This involves finding the appropriate balance between several aspects influencing computational performance (floating-point performance, usage of off-chip memory bandwidth, specification of cache hierarchy, etc.) and handling a large number of program parameters that have to be optimized to achieve the best simulation throughput. This optimization task can be treated as a black-box optimization problem, which requires searching the optimum set of parameters using only point-wise function evaluations. Here, the goal of this study is to provide a mechanism for optimizing complex systems (high energy physics particle transport simulations) with the help of genetic algorithms and evolution strategies as tuning procedures for massive parallel simulations. One of the described approaches is based on introducing a specific multivariate analysis operator that could be used in case of resource expensive or time consuming evaluations of fitness functions, in order to speed-up the convergence of the black-box optimization problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Online accelerator optimization with a machine learning-based stochastic algorithm

Abstract Online optimization is critical for realizing the design performance of accelerators. Highly efficient stochastic optimization algorithms are needed for many online accelerator optimization problems in order to find the global optimum in the non-linear, coupled parameter space. In this study, we propose to use the multi-generation Gaussian process optimizer for online accelerator optimization and demonstrate that the algorithm is significantly more efficient than other stochastic algorithms that are commonly used in the accelerator community.

Zhang, Zhe (ORCID:0000000281430381)↗
DOE OSTI2023

From Optimization to Sampling Through Gradient Flows

Optimization and sampling algorithms play a central role in science and engineering as they enable finding optimal predictions, policies, and recommendations, as well as expected and equilibrium states of complex systems. The notion of “optimality” is formalized by the choice of an objective function, while the notion of an “expected” state is specified by a probabilistic model for the distribution of states. Optimizing rugged objective functions and sampling multimodal distributions is computationally challenging, especially in high-dimensional problems. Here, for this reason, many optimization and sampling methods have been developed by researchers working in disparate fields such as Bayesian statistics, molecular dynamics, genetics, quantum chemistry, machine learning, weather forecasting, econometrics, and medical imaging.

Trillos, N. García↗