Accelerating the identification, development and scale up of carbon capture technologies through advanced modeling
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The overall cost of photovoltaic (PV) systems has shown a downward trend during the last decade; however, PV inverter failures account for the highest cost of operation and maintenance. To address this, reliability tools with powerful computation and better accuracy are required for the lifetime prediction and degradation evaluation of PV inverters. This paper proposes an event-driven parallel computing-based simulator. The proposed simulator applies high-performance computing techniques and other accessory optimization techniques-including cluster merging, adaptive model updates, and steady-state identification-to make reliability assessments for PV inverters under given input mission profiles and operating conditions with high efficiency and high fidelity. The main idea of the simulator and its workflow are introduced. Then, a demo PV inverter system simulator is implemented, and the speedup of the total simulations of the switching model reaches 123.03 times.
Purpose: The aim of this study was to implement a Dirichlet process mixture (DPM) model for automatic tumor edge identification on {sup 18}F-fluorodeoxyglucose positron emission tomography ({sup 18}F-FDG PET) images by optimizing the parameters on which the algorithm depends, to validate it experimentally, and to test its robustness. Methods: The DPM model belongs to the class of the Bayesian nonparametric models and uses the Dirichlet process prior for flexible nonparametric mixture modeling, without any preliminary choice of the number of mixture components. The DPM algorithm implemented in the statistical software package R was used in this work. The contouring accuracy was evaluated on several image data sets: on an IEC phantom (spherical inserts with diameter in the range 10–37 mm) acquired by a Philips Gemini Big Bore PET-CT scanner, using 9 different target-to-background ratios (TBRs) from 2.5 to 70; on a digital phantom simulating spherical/uniform lesions and tumors, irregular in shape and activity; and on 20 clinical cases (10 lung and 10 esophageal cancer patients). The influence of the DPM parameters on contour generation was studied in two steps. In the first one, only the IEC spheres having diameters of 22 and 37 mm and a sphere of the digital phantom (41.6 mm diameter) were studied by varying the main parameters until the diameter of the spheres was obtained within 0.2% of the true value. In the second step, the results obtained for this training set were applied to the entire data set to determine DPM based volumes of all available lesions. These volumes were compared to those obtained by applying already known algorithms (Gaussian mixture model and gradient-based) and to true values, when available. Results: Only one parameter was found able to significantly influence segmentation accuracy (ANOVA test). This parameter was linearly connected to the uptake variance of the tested region of interest (ROI). In the first step of the study, a calibration curve was determined to automatically generate the optimal parameter from the variance of the ROI. This “calibration curve” was then applied to contour the whole data set. The accuracy (mean discrepancy between DPM model-based contours and reference contours) of volume estimation was below (1 ± 7)% on the whole data set (1 SD). The overlap between true and automatically segmented contours, measured by the Dice similarity coefficient, was 0.93 with a SD of 0.03. Conclusions: The proposed DPM model was able to accurately reproduce known volumes of FDG concentration, with high overlap between segmented and true volumes. For all the analyzed inserts of the IEC phantom, the algorithm proved to be robust to variations in radius and in TBR. The main advantage of this algorithm was that no setting of DPM parameters was required in advance, since the proper setting of the only parameter that could significantly influence the segmentation results was automatically related to the uptake variance of the chosen ROI. Furthermore, the algorithm did not need any preliminary choice of the optimum number of classes to describe the ROIs within PET images and no assumption about the shape of the lesion and the uptake heterogeneity of the tracer was required.
In power system model reduction, a high reduction ratio is often desired to handle much more complex power systems. The bottleneck of traditional methods lies in: Coherency identification methods are conservative. Some coherency generators are not detected when system topology or operating points change, because coherency identification depends on system topology or operating points. There are some solitary generators in external systems. These generators do not belong to any coherency group. However, sometimes these solitary generators have little impact on tie-line power flow, and it might be possible to ignore their dynamics in model reduction. But because they do not belong to any coherency group, existing reduction methods cannot handle them well. In order to overcome the first problem, a measurement-based online coherency identification method is presented in this paper. By analyzing post-fault trajectories measured by Phasor Measurement Units (PMUs), coherency generators are identified through principal component analysis. The method can track time-varying system topology and operating points. In order to address the second problem, this paper introduces sensitivity analysis into traditional reduction methods. The sensitivity of tie-line power flow against injected active power of external system generators is derived. Those generators having loose connection with tie-line power are identified through the sensitivity analysis, and their dynamics are ignored by replacing them with negative impedances. We test if the sensitivity, based on static power flow, provides good guidance to reduce the dynamic model. Case studies show that the proposed method can handle well these solitary generators and the reduction ratio can be enhanced through this method. Future work will include generalization of the sensitivity method.
Ever-tightening regulations on fuel economy and carbon emissions demand continual innovation in finding ways for reducing vehicle mass. Classical methods for computational mass reduction include sizing, shape and topology optimization. One of the few remaining options for weight reduction can be found in materials engineering and material design optimization. Apart from considering different types of materials by adding material diversity, an appealing option in automotive design is to engineer steel alloys for the purpose of reducing thickness while retaining sufficient strength and ductility required for durability and safety. Such a project was proposed and is currently being executed under the auspices of the United States Automotive Materials Partnership (USAMP) funded by the Department of Energy. Under this program, new steel alloys (Third Generation Advanced High Strength Steel or 3GAHSS) are being designed, tested and integrated with the remaining design variables of a benchmark vehicle Finite Element model. In this project the principal phases identified are (i) material identification, (ii) formability optimization and (iii) multi-disciplinary vehicle optimization. This paper serves as an introduction to the LS-OPT methodology and therefore mainly focuses on the first phase, namely an approach to integrate material identification using material models of different length scales. For this purpose, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a Homogenized State Variable (SV) model, is discussed and demonstrated. The paper concludes with proposals for integrating the multi-scale methodology into the overall vehicle design.
My fellowship research focused on making physics-based simulations faster and more useful through machine learning. Many problems in science and engineering are governed by partial differential equations, but high-fidelity simulations are often too expensive to run repeatedly. I worked on improving Latent Space Dynamics Identification (LaSDI), a reduced-order modeling framework that compresses large simulation data sets into a smaller representation and then learns how that representation evolves over time. The motivation was to develop reduced models that remain accurate for more challenging systems, especially when predictions must remain reliable over long time intervals or when the underlying dynamics are more complicated than standard methods can easily handle. I also contributed to related work on Quandary, a high-performance software effort for simulation and control of open quantum systems, before focusing primarily on Latent Space Dynamics Identification methods. The main outcomes of the fellowship were two new algorithms (both of which were published), Rollout-LaSDI and Higher-Order LaSDI, together with supporting work on multi-stage Latent Space Dynamics Identification. Rollout-LaSDI improved long-term prediction by training the model to stay accurate over extended time horizons, and Higher-Order LaSDI broadened the method so it could model systems with higher-order time dynamics. My contributions to multistage Latent Space Dynamics Identification also helped show that its later training stages could be simplified without losing effectiveness, and that this behavior held across different model architectures and training strategies. Taken together, these advances improved the accuracy, flexibility, and practical value of reduced-order modeling tools for computational science.
The Higgs mechanism plays a key role in the physics of elementary particles: in the context of the Standard Model, the theory which describes in a unified framework the electromagnetic, weak and strong nuclear interactions, it allows for the generation of particle masses while preserving the fundamental symmetries of the theory. This mechanism predicts the existence of a new type of particle, the scalar Higgs boson, with unique characteristics. The detection of this particle and the study of its fundamental properties is a major goal of high-energy particle colliders, such as the CERN Large Hadron Collider or LHC.
The paper presents a generalized methodology for identification and evaluation of potential degradation and failure of terrestrial photovoltaic encapsulation. Failure progression modeling and an interaction matrix are utilized to complement the conventional approach to failure degradation mode identification. Comparison of the predicted performance based on these models can produce: (1) constraints on system or component design, materials or operating conditions, (2) qualification (predicted satisfactory function), and (3) uncertainty. The approach has been applied to an investigation of an unexpected delamination failure; it is being used to evaluate thermomechanical interactions in photovoltaic modules and to study corrosion of contacts and interconnects.
A major objective of the project was to train and evaluate the effectiveness of multiple event and anomaly detection, identification and classification deep temporal learning models for processing of real-time phasor measurement unit (PMU) data streams. A vast dataset, consisting of two years of phasor measurements from all three U.S. Interconnections, was curated and released by the Department of Energy (DOE) through Pacific Northwest National Laboratory (PNNL). The dataset also included an event log that provided event times and types (e.g. generator trips, line trips, planned service events, transformer operations, etc.). Our analysis of this dataset addressed six (6) of the eleven (11) research priorities identified in Funding Opportunity Announcement (FOA) DE-FOA-0001861 “Big Data Analysis of Synchrophasor Data” (FOA 1861). Rather than being limited to pre-determined specific algorithms, this project relied on the uniquely structured, highly performant underlying time series database capabilities of the PredictiveGrid platform to assess the vast dataset utilizing a wide variety of algorithms.
Weak form Scientific Machine Learning (WSciML) is a recently developed framework for data-driven modeling and scientific discovery. It leverages the weak form of equation error residuals to provide enhanced noise robustness in system identification via convolving model equations with test functions, reformulating the problem to avoid direct differentiation of data. The performance, however, relies on wisely choosing a set of compactly supported test functions. In this work, we mathematically motivate a novel data-driven method for constructing Single-scale-Local reference functions for creating the set of test functions. Our approach numerically approximates the integration error introduced by the quadrature and identifies the support size for which the error is minimal, without requiring access to the model parameter values. Through numerical experiments across various models, noise levels, and temporal resolutions, we demonstrate that the selected supports consistently align with regions of minimal parameter estimation error. We also compare the proposed method against the strategy for constructing Multi-scale-Global (and orthogonal) test functions introduced in our prior work, demonstrating the improved computational efficiency.
An abstract approximation framework and convergence theory for the identification of first and second order nonlinear distributed parameter systems developed previously by the authors and reported on in detail elsewhere are summarized and discussed. The theory is based upon results for systems whose dynamics can be described by monotone operators in Hilbert space and an abstract approximation theorem for the resulting nonlinear evolution system. The application of the theory together with numerical evidence demonstrating the feasibility of the general approach are discussed in the context of the identification of a first order quasi-linear parabolic model for one dimensional heat conduction/mass transport and the identification of a nonlinear dissipation mechanism (i.e., damping) in a second order one dimensional wave equation. Computational and implementational considerations, in particular, with regard to supercomputing, are addressed.
This review of plant gravity sensing examines sensing in organ gravitropism, sensing in single-cell gravitropism, and nongravitropic sensing. Topics related to sensing in organ gravitropism are (1) identification of the gravitropic susceptors, including intracellular asymmetry in equilibrium position and after reorientation, susceptor signal-to-noise ratio, signal integration over threshold stimulation periods, intracellular asymmetry and gravitropic competence, and starch deficiency and gravitropic competence; (2) possible root statocytes and receptors, including identification of presumptive statocytes, cytology, and possible receptors and models of sensing; and (3) negatively gravitropic organs, including identification and distribution of presumptive statocytes and cytology and possible receptors. Topics related to nongravitropic sensing include gravitaxis, reaction wood, gravimorphogenesis, other gravity-influenced organ movements, and cytoplasmic streaming.
Investigations related to satellite remote sensing of vegetation have been concerned with questions of signature identification and extension, cover inventory accuracy, and change detection and monitoring. Attention is given to models of ecological succession, present directions in successional modeling and analysis, nondynamic spatial models, issues in the analysis of spatial data, and aspects of spatial modeling. Issues in time-series analysis are considered along with dynamic spatial models, and problems of model specification and identification.
This project dealt with the following topics: 1. Review and description of the existing air traffic flow management system (ATFM) and identification of aspects with potential for improvement. 2. Identification and review of existing models and simulations dealing with all system segments (enroute, terminal area, ground) 3. Formulation of concepts for overall decentralization of the ATFM system, ranging from moderate decentralization to full decentralization 4. Specification of the modifications to the ATFM system required to accommodate each of the alternative concepts. 5. Identification of issues that need to be addressed with regard to: determination of the way the ATFM system would be operating; types of flow management strategies that would be used; and estimation of the effectiveness of ATFM with regard to reducing delay and re-routing costs. 6. Concept evaluation through identification of criteria and methodologies for accommodating the interests of stakeholders and of approaches to optimization of operational procedures for all segments of the ATFM system.
This project dealt with the following topics: 1. Review and description of the existing air traffic flow management system (ATFM) and identification of aspects with potential for improvement. 2. Identification and review of existing models and simulations dealing with all system segments (enroute, terminal area, ground) 3. Formulation of concepts for overall decentralization of the ATFM system, ranging from moderate decentralization to full decentralization 4. Specification of the modifications to the ATFM system required to accommodate each of the alternative concepts. 5. Identification of issues that need to be addressed with regard to: determination of the way the ATFM system would be operating; types of flow management strategies that would be used; and estimation of the effectiveness of ATFM with regard to reducing delay and re-routing costs. 6. Concept evaluation through identification of criteria and methodologies for accommodating the interests of stakeholders and of approaches to optimization of operational procedures for all segments of the ATFM system.
The Eigensystem Realization Algorithm (ERA) is a multiinput/multioutput time-domain algorithm for minimum-order system realization and modal parameter identification. It has been used for structural dynamics data analysis at the Langley Research Center for several years. Some of the practical experiences encountered in these projects are discussed in this paper. Three examples are used: the Galileo spacecraft, the Solar Array Flight Experiment, and a laboratory space-truss model. Several techniques for assessing identification accuracy are illustrated.
Reduced Order Modeling (ROM) is essential to enable the identification of the so-called active parameter subspace for high-fidelity models that are employed in computationally intensive analyses such as uncertainty characterization and data assimilation. Given the complexity of models for real-world application, brute force methods to identify the active subspace may not be computationally efficient to realize the value of reduction, since in realistic problems, the full scale model must be executed few hundred times, which may be computationally taxing. Earlier work has introduced a new approach, which represents a further development of our previous work on ROM, referred to as multi-level ROM (M-LROM). In M-LROM, approximate models are employed to identify the active subspace instead of the full scale model. In this summary, we present our recent results on M-LROM, specifically in regard to the construction of reliable error metrics that can bound the errors resulting from the reduction. The idea is to employ a lower fidelity model, i.e., an approximation of the full scale or high fidelity model, to build the active subspace, and via the proposed error bound, the quality of the active subspace can be determined by calculating an upper bound on the errors resulting from the reduction. For this approach to be practical, the error bound must be realistic, implying that it should be close to the actual errors expected, and not much higher. Therefore, an important goal of this summary is to compare different error bounds in terms of the relation between their estimated bounds to the actual errors. In particular, we compare the proposed error bound which numerically construct an estimator using binomial distribution to the widely used small-sample norm estimators. Unlike most probabilistic error estimation methods, the proposed bound employs a binomial distribution to construct the estimator whereas in other conventional methods, the distribution employed is typically the standard Gaussian, normalized over a unit hypersphere as initially proposed by the seminal paper of J. Dixon on random matrix theory. Previous publications provided evidence that the binomial distribution calculates more realistic bounds as compared to the Gaussian distribution, which tends to be conservative, implying that the bound is much bigger than the actual errors, which diminishes the value of the reduction, as now must increase the size of the active subspace to reach the desired upper bound on the reduction errors. This work has provided a rigorous approach by which error bounds on the reduction errors can be established without having to execute the high fidelity model during the construction of the active subspace. The high fidelity model is only need to test the error bound using small number of executions. This methodology paves the way for a more efficient application of ROM to complex engineering models, where standard ROM techniques may be too taxing to optimally realize their value in practical situations. (authors)
A new physics-based method called Fundamental Rotorcraft Acoustic Modeling from Experiments (FRAME) is used to demonstrate the change in rotor harmonic noise of a helicopter operating at different ambient conditions. FRAME is based upon a non-dimensional representation of the governing acoustic and performance equations of a single rotor helicopter. Measured external noise is used together with parameter identification techniques to develop a model of helicopter external noise that is a hybrid between theory and experiment. The FRAME method is used to evaluate the main rotor harmonic noise of a Bell 206B3 helicopter operating at different altitudes. The variation with altitude of Blade-Vortex Interaction (BVI) noise, known to be a strong function of the helicopter s advance ratio, is dependent upon which definition of airspeed is flown by the pilot. If normal flight procedures are followed and indicated airspeed (IAS) is held constant, the true airspeed (TAS) of the helicopter increases with altitude. This causes an increase in advance ratio and a decrease in the speed of sound which results in large changes to BVI noise levels. Results also show that thickness noise on this helicopter becomes more intense at high altitudes where advancing tip Mach number increases because the speed of sound is decreasing and advance ratio increasing for the same indicated airspeed. These results suggest that existing measurement-based empirically derived helicopter rotor noise source models may give incorrect noise estimates when they are used at conditions where data were not measured and may need to be corrected for mission land-use planning purposes.