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Results for “level set methods”

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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Frequency Recovery in Power Grids Using High-Performance Computing

Maintaining electric power system stability is paramount, especially in extreme contingencies involving unexpected outages of multiple generators or transmission lines that are typical during severe weather events. Such outages often lead to large supply-demand mismatches followed by subsequent system frequency deviations from their nominal value. The extent of frequency deviations is an important metric of system resilience, and its timely mitigation is a central goal of power system operation and control. This paper develops a novel nonlinear model predictive control (NMPC) method to minimize frequency deviations when the grid is affected by an unforeseen loss of multiple components. Our method is based on a novel multi-period alternating current optimal power flow (ACOPF) formulation that accurately models both nonlinear electric power flow physics and the primary and secondary frequency response of generator control mechanisms. We develop a distributed parallel Julia package for solving the large-scale nonlinear optimization problems that result from our NMPC method and thereby address realistic test instances on existing high-performance computing architectures. Our method demonstrates superior performance in terms of frequency recovery over existing industry practices, where generator levels are set based on the solution of single-period classical ACOPF models.

nonlinear model predictive control↗
DOE OSTI2018

Optimizing Energy Efficiency of Plants: Quantitative Analysis of Carbon Flux

The efficiency in harvesting light energy is essential for both crop and feedstock productivity. Key targets for optimization of energy efficiency include energy capture, conversion, translocation and storage. Surprisingly little is known about the mechanisms of carbon allocation and the communication between source and sink. We surmise that regulatory networks that coordinate carbon partitioning and allocation might be control points and thus suitable for optimization by engineering. At a first step towards identifying such regulatory networks, our lab identified key players in missing steps of allocation, specifically cellular sugar uptake (SUT family, founding members identified by my team) and cellular efflux carriers (SWEET superfamily, founding members identified by my team). In plants, both classes of transporters are encoded by multigene families. We show that specific subsets of SWEETs serve critical roles in cellular sucrose efflux in the leaf for phloem loading, in seeds for seed filling, as well as in nectar section and vacuolar storage; similarly SUTs play critical roles in cellular uptake during phloem loading and seed filling. Access to the plant SWEETs provided the clues needed for identifying novel bacterial and human sugar transporters. Moreover, we found that pathogens hijack SWEETs to access the plants energy resources. In contrast to SUTs, which are predominantly proton symporters, SWEETs appear to function as facilitators, and thus must be tightly regulated to prevent spillover of carbon into cell walls. One of the key goals of this project was to identify such carriers, characterize the role of key members in carbon allocation. To decrypt the biological circuits we need novel diagnostic tools that, analogous to oscilloscopes in electrical engineering of circuit boards, allow us to quantify fluxes; here by monitoring sugars. Such probes can provide crucial information on systems properties such as metabolic impedance. To measure steady state metabolite levels with minimal invasive methods, and to develop impedance measurements in vivo, we constructed and optimized a set of probes, namely Förster Resonance Energy Transfer (FRET) nanosensors for glucose and sucrose. The probes monitor the concentration of a specific metabolite with high temporal resolution, and, since encoded genetically, can be targeted to specific cells or even specific cellular compartments and thus obtain measurements with cellular and subcellular resolution. We also developed a new platform for monitoring such sensors in vivo, the RootChip.

09 BIOMASS FUELS↗
DOE OSTI2023

Formally Verified ZTA Requirements for OT/ICS Environments with Isabelle/HOL: Preprint

The clean energy transformation led to the integration of distributed energy resources on a top of the grid, and so a substantial increase in the complexity of power grids infrastructure and the underlying operational technology environment. Operational technology environments are becoming a system of systems, integrating heterogeneous devices which are software/hardware intensive, have ever increasing demands to exploit advances in commodity of software/hardware infrastructures, and this for good reasons - improving energy systems requirements such as cybersecurity and resilience. In such a setting, system requirements at different levels mix, thus undesirable outcomes will surely happen. The use of formal methods will remove ambiguity, increase automation and provide high levels of assurance and reliability. In this paper, we contribute a methodology and a framework for the system level verification of zero trust architecture requirements in operational technology environments. We define a formal specification for the core functionalities of operational technology environments, the corresponding invariants, and security proofs. Of particular note is our modular approach for the formal verification of asynchronous interactions in operational technology environments. The formal specification and the proofs have been mechanized using the interactive theorem proving environment Isabelle/HOL.

formal methods↗
DOE OSTI2021

Multiscale design of nonlinear materials using a Eulerian shape optimization scheme

Motivated by recent advances in manufacturing, the design of materials is the focal point of interest in the material research community. One of the critical challenges in this field is finding optimal material microstructure for a desired macroscopic response. This work presents a computational method for the mesoscale-level design of particulate composites for an optimal macroscale-level response. The method relies on a custom shape optimization scheme to find the extrema of a nonlinear cost function subject to a set of constraints. Three key “modules” constitute the method: multiscale modeling, sensitivity analysis, and optimization. Multiscale modeling relies on a classical homogenization method and a nonlinear NURBS-based generalized finite element scheme to efficiently and accurately compute the structural response of particulate composites using a nonconformal discretization. A three-parameter isotropic damage law is used to model microstructure-level failure. An analytical sensitivity method is developed to compute the derivatives of the cost/constraint functions with respect to the design variables that control the microstructure's geometry. The derivation uncovers subtle but essential new terms contributing to the sensitivity of finite element shape functions and their spatial derivatives. Several structural problems are solved to demonstrate the applicability, performance, and accuracy of the method for the design of particulate composites with a desired macroscopic nonlinear stress-strain response.

42 ENGINEERING↗
DOE OSTI2016

Micropores and methods of making and using thereof

Disclosed herein are methods of making micropores of a desired height and/or width between two isotropic wet etched features in a substrate which comprises single-level isotropic wet etching the two features using an etchant and a mask distance that is less than 2.times. a set etch depth. Also disclosed herein are methods using the micropores and microfluidic devices comprising the micropores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Micropores and methods of making and using thereof

Disclosed herein are methods of making micropores of a desired height and/or width between two isotropic wet etched features in a substrate which comprises single-level isotropic wet etching the two features using an etchant and a mask distance that is less than 2× a set etch depth. Also disclosed herein are methods using the micropores and microfluidic devices comprising the micropores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Galaxy bias from the Dark Energy Survey Science Verification data: Combining galaxy density maps and weak lensing maps

We measure the redshift evolution of galaxy bias for a magnitude-limited galaxy sample by combining the galaxy density maps and weak lensing shear maps for a ~116 deg 2 area of the Dark Energy Survey (DES) Science Verification (SV) data. This method was first developed in Amara et al. and later re-examined in a companion paper with rigorous simulation tests and analytical treatment of tomographic measurements. In this work we apply this method to the DES SV data and measure the galaxy bias for a i < 22.5 galaxy sample. We find the galaxy bias and 1σ error bars in four photometric redshift bins to be 1.12 ± 0.19 (z = 0.2–0.4), 0.97 ± 0.15 (z = 0.4–0.6), 1.38 ± 0.39 (z = 0.6–0.8), and 1.45 ± 0.56 (z = 0.8–1.0). These measurements are consistent at the 2σ level with measurements on the same data set using galaxy clustering and cross-correlation of galaxies with cosmic microwave background lensing, with most of the redshift bins consistent within the 1σ error bars. In addition, our method provides the only σ8 independent constraint among the three. We forward model the main observational effects using mock galaxy catalogues by including shape noise, photo-z errors, and masking effects. We show that our bias measurement from the data is consistent with that expected from simulations. With the forthcoming full DES data set, we expect this method to provide additional constraints on the galaxy bias measurement from more traditional methods. Moreover, in the process of our measurement, we build up a 3D mass map that allows further exploration of the dark matter distribution and its relation to galaxy evolution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

SU-E-J-97: Quality Assurance of Deformable Image Registration Algorithms: How Realistic Should Phantoms Be?

Purpose: Deformable image registration (DIR) has widespread uses in radiotherapy for applications such as dose accumulation studies, multi-modality image fusion, and organ segmentation. The quality assurance (QA) of such algorithms, however, remains largely unimplemented. This work aims to determine how detailed a physical phantom needs to be to accurately perform QA of a DIR algorithm. Methods: Virtual prostate and head-and-neck phantoms, made from patient images, were used for this study. Both sets consist of an undeformed and deformed image pair. The images were processed to create additional image pairs with one through five homogeneous tissue levels using Otsu’s method. Realistic noise was then added to each image. The DIR algorithms from MIM and Velocity (Deformable Multipass) were applied to the original phantom images and the processed ones. The resulting deformations were then compared to the known warping. A higher number of tissue levels creates more contrast in an image and enables DIR algorithms to produce more accurate results. For this reason, error (distance between predicted and known deformation) is utilized as a metric to evaluate how many levels are required for a phantom to be a realistic patient proxy. Results: For the prostate image pairs, the mean error decreased from 1–2 tissue levels and remained constant for 3+ levels. The mean error reduction was 39% and 26% for Velocity and MIM respectively. For head and neck, mean error fell similarly through 2 levels and flattened with total reduction of 16% and 49% for Velocity and MIM. For Velocity, 3+ levels produced comparable accuracy as the actual patient images, whereas MIM showed further accuracy improvement. Conclusion: The number of tissue levels needed to produce an accurate patient proxy depends on the algorithm. For Velocity, three levels were enough, whereas five was still insufficient for MIM.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-I-80: Correction for Bias in a Channelized Hotelling Model Observer Caused by Temporally Variable Non-Stationary Noise

Purpose: Application of a channelized Hotelling model observer (CHO) over a wide range of x-ray angiography detector target dose (DTD) levels demonstrated substantial bias for conditions yielding low detectability indices (d’), including low DTD and small test objects. The purpose of this work was to develop theory and methods to correct this bias. Methods: A hypothesis was developed wherein the measured detectability index (d’b) for a known test object is positively biased by temporally variable non-stationary noise in the images. Hotelling’s T2 test statistic provided the foundation for a mathematical theory which accounts for independent contributions to the measured d’b value from both the test object (d’o) and non-stationary noise (d’ns). Experimental methods were developed to directly estimate d’o by determining d’ns and subtracting it from d’b, in accordance with the theory. Specifically, d’ns was determined from two sets of images from which the traditional test object was withheld. This method was applied to angiography images with DTD levels in the range 0 to 240 nGy and for disk-shaped iodine-based contrast targets with diameters 0.5 to 4.0 mm. Results: Bias in d’ was evidenced by d’b values which exceeded values expected from a quantum limited imaging system and decreasing object size and DTD. d’ns increased with decreasing DTD, reaching a maximum of 2.6 for DTD = 0. Bias-corrected d’o estimates demonstrated sub-quantum limited performance of the x-ray angiography for low DTD. Findings demonstrated that the source of non-stationary noise was detector electronic readout noise. Conclusion: Theory and methods to estimate and correct bias in CHO measurements from temporally variable non-stationary noise were presented. The temporal non-stationary noise was shown to be due to electronic readout noise. This method facilitates accurate estimates of d’ values over a large range of object size and detector target dose.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Multi-scale topology optimization of multi-material structures with controllable geometric complexity — Applications to heat transfer problems

This study presents a topology optimization method to design assemblies of periodic cellular materials with controllable geometric complexity. The framework is based on a novel multi-scale and multi-material design model in which the structure, the layout of the material subdomains, and their micro-structures are optimized concurrently. To allow a tight control over its geometrical complexity, the layout at the macro-scale is described by level-set fields, parameterized by geometric primitives. The micro-scale geometry is represented through a density approach. A nonlinear programming algorithm drives the optimization process using design sensitivities computed by the discrete adjoint method. The proposed design framework is studied with heat transfer problems. Practical design problems, such as a heat sink and a thermal storage unit with phase change are discussed. The macro-scale analysis model relies on a generalized transient diffusion equation. At the micro-scale, homogenization is used to compute equivalent material properties. The numerical examples in this study show that the optimized multi-scale multi-material layouts outperform the corresponding mono-scale structures while maintaining geometric simplicity at the macro-scale level.

42 ENGINEERING↗
DOE OSTI2019

Efficient propagation of systematic uncertainties from calibration to analysis with the SnowStorm method in IceCube

Efficient treatment of systematic uncertainties that depend on a large number of nuisance parameters is a persistent difficulty in particle physics and astrophysics experiments. Where low-level effects are not amenable to simple parameterization or re-weighting, analyses often rely on discrete simulation sets to quantify the effects of nuisance parameters on key analysis observables. Such methods may become computationally untenable for analyses requiring high statistics Monte Carlo with a large number of nuisance degrees of freedom, especially in cases where these degrees of freedom parameterize the shape of a continuous distribution. In this paper we present a method for treating systematic uncertainties in a computationally efficient and comprehensive manner using a single simulation set with multiple and continuously varied nuisance parameters. Finally, this method is demonstrated for the case of the depth-dependent effective dust distribution within the IceCube Neutrino Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Description of Sensor Assignment Optimization Method as Deployed on a Multi-Node Cluster

Data analytic methods are being developed to address the problem of how to assign a sensor set in a nuclear facility such that a requisite level of process monitoring capability is realized and that the sensor set is sufficiently rich to determine the status of the individual sensors with respect to need for calibration. There is an awareness in the nuclear industry that data analytics combined with rich sensor sets represent a means to improve operations and reduce costs. In the industry the calibration problem has been previously approached as an empirical data-driven problem with several methods having been developed. However, the experience of the utilities over the past ten years with these methods indicates that the absence of physics-based information renders the data-driven approach less reliable. Complicating factors such as the inherent variability of operation (both equipment alignment and operating condition) can confound a pure data-driven approach while there are no rigorous guidelines for determining what constitutes an adequate sensor set. The solution under development to overcome these shortcomings supplements the data analytic method with process information in a so-called process-constrained data-analytic approach. Simple balance equations are written for generic components (e.g., mechanical pump, valve, and heat exchanger). These do not require a priori knowledge of process parameters, such as heat transfer coefficients or friction factors. All that is needed on the part of the utility user is to identify the components and how they are connected. This report describes the development of a parallel computing capability for determining the optimal sensor set. The optimal sensor set problem suffers from the curse of dimensionality. Computation time increases exponentially as the size of the system grows. To overcome this difficulty a pre-conditioner algorithm is developed to find an approximate solution close the actual solution. This serves as a seed for the full-blown algorithm and acts to constrain the space that must searched. The optimization algorithms are described and the implementation on a parallel computing platform is described. The application of the method to a use case we are solving in collaboration with our utility partner served to illustrate how the default sensor set in a nuclear plant may not provide sufficient coverage to infer sensor calibration status.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Fundamental Vibrational Analyses of the HCN Monomer, Dimer and Associated Isotopologues

In this work we provide high level ab initio treatments of the structures, vibrational frequencies, and electronic energies of the HCN monomer and dimer systems along with several isotopologues. Additionally, the plethora of information related to this system within the literature is summarized and serves as a basis for comparison with the results of this paper. The geometry of the dimer and monomer are reported at the all electroncoupled-cluster singles, doubles, and perturbative triples level of theory [AE-CCSD(T)] with the correlation consistent quadruple-zeta quality basis sets with extra core functions (cc-pCVQZ) from Dunning. The theoretical geometries and electronic structures are further analyzed through the use of the Natural Bond Orbital (NBO) method and Natural Resonance Theory (NRT). At the AE-CCSD(T)/cc-pCVQZ level of theory, the full cubic with semi-diagonal quartic force field for nine dimer and four monomer isotopologues (the parent isotopologue along with 15N, 13C, and D derivatives) were obtained to treat the anharmonicity of the vibrations via second order vibrational perturbation theory (VPT2). Lastly, the enthalpy change associated with the formation of the dimer from two monomer units was determined using the focal point analysis. Computations including coupled-cluster through perturbative quadruples as well as basis sets up to six-zeta quality, including core functions (cc-pCVXZ, X=D,T,Q,5,6) were used to extrapolate to the AE-CCSDT(Q)/CBS energy associated with this hydrogen-bond forming process. After appending anharmonic zero-point vibrational, relativistic, and diagonal Born-Oppenheimer corrections, we report a value of -3.93 kcal mol -1 for the enthalpy of formation. To our knowledge, each set of results (geometries, vibrational frequencies, and energetics) reported in this study represents the highest-level and most reliable theoretical predictions reported for this system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Studies on Workability of Geopolymer Solidification - 18171

In Japan, intermediate-level radioactive waste, such as spent resin, is solidified and set in sealed containers without venting. To reduce the amount of hydrogen generated due to water radiolysis in stored intermediate-level waste, geopolymer solidification has been studied. Geopolymer solidification is an excellent method for conditioning intermediate-level waste from the viewpoint of its high thermal stability and low processing cost. However, it has a problem that the apparent viscosity increases drastically a few minutes after the onset of setting. This may cause some trouble in the process of pouring the geopolymer into drums and mixing it with waste. In this study, in order to control the workability of a geopolymer mixture, we investigated the effects of the compounding ratio and the kinds of chemical agents used. We confirmed that the geopolymer reaction was slowed down by reducing the amount of calcium and adding boron. The uniaxial compressive strength of the geopolymer was 3-80 MPa. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Formally Verified ZTA Requirements for OT/ICS Environments with Isabelle/HOL

The clean energy transformation includes the integration of distributed energy resources with the power grid, which has led to a substantial increase in the complexity of power grids infrastructure and the underlying operational technology environment. Power grids infrastructure represents an operational technology environment that has become a system of systems, integrating heterogeneous devices which are both software-and hardware-intensive; as a result, there are increasing demands to exploit advances in the commodity of software-hardware infrastructures to improve energy systems requirements such as cybersecurity and resilience. In such a setting, system requirements at different levels mix, which leads to vulnerabilities and undesirable outcomes. The use of formal methods to characterize and prove system requirements removes ambiguity, increases automation, and provides high levels of assurance and reliability. In this paper, we contribute a methodology and a framework for the system-level verification of zero trust architecture requirements in operational technology environments. We define a formal specification for the core functionalities of operational technology environments, the corresponding invariants, and security proofs. Of particular note is our modular approach for the formal verification of asynchronous interactions in operational technology environments. The formal specification and the proofs have been mechanized using the interactive theorem proving environment Isabelle/HOL.

formal methods↗
DOE OSTI2017

Energy levels, oscillator strengths, line strengths, and transition probabilities in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI

Detailed calculations using the multi-configuration Dirac–Fock (MCDF) method are carried out for the lowest 64 fine-structure levels of the 3s{sup 2}3p{sup 2}, 3s{sup 2}3p3d, 3s3p{sup 3}, 3s3p{sup 2}3d, 3s{sup 2}3d{sup 2}, and 3p{sup 4} configurations in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI. Energies, oscillator strengths, wavelengths, line strengths, and radiative electric dipole transition rates are given for all ions. A parallel calculation using the many-body perturbation theory (MBPT) method is also carried out to assess the present energy levels accuracy. Comparisons are performed between these two sets of energy levels, as well as with other available results, showing that they are in good agreement with each other within 0.5%. These high accuracy results can be used to the modeling and the interpretation of astrophysical objects and fusion plasmas. - Highlights: • Energy levels and E1 transition rates of Si-like ions are presented. • Breit interaction and Quantum Electrodynamics effects are discussed. • Present results should be useful in the astrophysical application and plasma modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

On the Impact of Bus Dwelling on Macroscopic Fundamental Diagrams

Network macroscopic fundamental diagrams (MFDs) have recently been shown to exist in real-world urban traffic networks. When present, MFDs can be used to model traffic dynamics within an urban network by dividing the network into a set of spatially compact homogeneous regions and tracking the average level of congestion in each region. Existing analytical methods to estimate MFD mostly focus on the behavior of a single type of vehicle and do not capture the patterns of mixed traffic (e.g., cars and buses). The existence of buses matters since a bus will block the movements of other vehicles when it dwells at the bus stop. This paper proposes an analytical method to estimate the impact of bus dwelling on a network’s MFD based on the network’s geometric features, traffic control strategies, and bus operation parameters, and validates the performance of the proposed method using simulations based on microscopic traffic models. Comparisons of the analytical and simulation results show that the proposed analytical method can generally provide a good estimate of the lower bound and upper bound of the network’s MFD.

Xu, Guanhao↗
DOE OSTI2015

Peroxyacetyl radical: Electronic excitation energies, fundamental vibrational frequencies, and symmetry breaking in the first excited state

Peroxyacetyl radical [CH{sub 3}C(O)O{sub 2}] is among the most abundant peroxy radicals in the atmosphere and is involved in OH-radical recycling along with peroxyacetyl nitrate formation. Herein, the ground (X{sup ~}) and first (A{sup ~}) excited state surfaces of cis and trans peroxyacetyl radical are characterized using high-level ab initio methods. Geometries, anharmonic vibrational frequencies, and adiabatic excitation energies extrapolated to the complete basis-set limit are reported from computations with coupled-cluster theory. Excitation of the trans conformer is found to induce a symmetry-breaking conformational change due to second-order Jahn-Teller interactions with higher-lying excited states. Additional benchmark computations are provided to aid future theoretical work on peroxy radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗