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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 91 records · Page 5

Towards a data-driven model of hadronization using normalizing flows

We introduce a model of hadronization based on invertible neural networks that faithfully reproduces a simplified version of the Lund string model for meson hadronization. Additionally, we introduce a new training method for normalizing flows, termed MAGIC, that improves the agreement between simulated and experimental distributions of high-level (macroscopic) observables by adjusting single-emission (microscopic) dynamics. Our results constitute an important step toward realizing a machine-learning based model of hadronization that utilizes experimental data during training. Finally, we demonstrate how a Bayesian extension to this normalizing-flow architecture can be used to provide analysis of statistical and modeling uncertainties on the generated observable distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mechanical separations of corn stover anatomical fractions in an integrated feedstock preprocessing system: An experimental and data-driven modeling study

High variabilities of material attributes in lignocellulosic biomass present risks for biofuel and biochemical productions and must be mitigated via preprocessing. Since almost no mechanical device is originally designed for processing biomass, how to operate existing apparatuses with efficient performance has not been investigated extensively. This work presents a study on an integrated screening and air classification to separate cobs and stalks from husks and leaves in corn stover. Prototype machine learning models were developed to assess the feasibility of predicting the process outcome based on the measurable parameters. The models trained upon limited experimental data rendered decent predictive accuracy of yield and purity. The experimental data and modeling results collectively suggest decreasing throughput leads to a higher purity. To the contrary, if throughput increases, a lower purity is likely. A possible trade-off between yield and purity of the separated streams indicates the need for optimal combinations of feedstock size, moisture, and throughput to achieve optimized separations. The results of this study also suggest the need to further improve model predictability by developing more accurate formulations for physics governing the integrated unit operations. To accomplish this, additional experimental data needs to be generated for model training.

09 - BIOMASS FUELS↗

Data-driven Modeling for Grid Edge IBRs: A Digital Twin Perspective of User-Defined Models

Recent events in Odessa have brought attention to the challenges associated with the interaction between Inverter- Based Resources (IBRs) and the transmission and distribution system. The NERC event diagnosis report has highlighted sev- eral issues, emphasizing the need for continuous performance monitoring of these IBRs by system operators. Key areas of concern include the mismatch of control and protection perfor- mance of IBRs between the original equipment manufacturer (OEM)-provided models and field measurements. The inability to replicate the realistic response can result in incorrect reliability and resilience studies. In this paper, we developed an approach on how to emulate the behavior of an IBR using measurement data obtained for system operators to utilize in real-time and long- term planning. Two experiments are conducted in the phasor domain and electromagnetic transients (EMT) domain to emulate the behavior for grid forming and grid following inverters under various operating conditions and the effectiveness of the proposed model is demonstrated in terms of accuracy and ease of utilizing user-defined models (UDMs)

Mahapatra, Kaveri [BATTELLE (PACIFIC NW LAB)]↗

Large-scale scenarios of electric vehicle charging with a data-driven model of control

Transportation electrification is forecast to bring millions of new electric vehicles to roads worldwide this decade. Planning to support those vehicles depends on detailed scenarios of their electricity demand in both uncontrolled and controlled or smart charging scenarios. In this work, we present a novel modeling approach to enable rapid generation of demand estimates that represent the impact of controlled charging for large-scale scenarios with millions of individual drivers. To model the effect of load modulation control on aggregate charging profiles, we propose a novel machine learning approach that replaces traditional optimization approaches. We demonstrate its performance modeling workplace charging control under a range of electricity rate schedules, achieving small errors (2.5%–4.5%) while accelerating computations by more than 4000 times. To generate the uncontrolled charging demand for scenarios with residential, workplace, and public charging we use statistical representations of a large data set of real charging sessions. We demonstrate the methodology by generating diverse sets of scenarios for California's charging demand in 2030 which consider multiple charging segments and controls, each run locally in under 50 s. We further demonstrate support for rate design by modeling the large-scale impact of a new, custom rate schedule for workplace charging.

33 ADVANCED PROPULSION SYSTEMS↗

AGGREGATE: dAta-driven modelinG preservinG contRollable dEr for outaGe mAnagemenT and rEsiliency (Report for Task 10: Controllability and Observability Analysis (Deliverable D7))

It is common to have less than full observability for distribution systems, as the number of available measurements are not sufficient. Considering increasing penetration of distributed energy resources (DERs), it is imperative to understand and control distribution systems better. Developed for the transmission system, the original numerical observability analysis methods were based on the canonical DC Power Flow (DC-PF) model. However, the DC-PF model is ill-suited for the distribution system in which line resistance to reactance (R/X) ratios can be near unity. In this report, we apply the non-iterative Observability Test (OT) and Observable Island Identification Procedure (OIIP) in to the gain matrix from the distribution system state estimator. Because sensors are few in distribution systems, pseudo-measurements based on historical load profiles and zero-injection virtual measurements are often employed to ensure observability. However, both the observability and the accuracy of the state estimates are uncertain when historical data is limited/unavailable.

42 ENGINEERING↗

Verification of Data-Driven Models of Physical Phenomena using Interpretable Approximation

Machine-learned models, specifically neural networks, are increasingly used as “closures” or “constitutive models” in engineering simulators to represent fine-scale physical phenomena that are too computationally expensive to resolve explicitly. However, these neural net models of unresolved physical phenomena tend to fail unpredictably and are therefore not used in mission-critical simulations. In this report, we describe new methods to authenticate them, i.e., to determine the (physical) information content of their training datasets, qualify the scenarios where they may be used and to verify that the neural net, as trained, adhere to physics theory. We demonstrate these methods with neural net closure of turbulent phenomena used in Reynolds Averaged Navier-Stokes equations. We show the types of turbulent physics extant in our training datasets, and, using a test flow of an impinging jet, identify the exact locations where the neural network would be extrapolating i.e., where it would be used outside the feature-space where it was trained. Using Generalized Linear Mixed Models, we also generate explanations of the neural net (à la Local Interpretable Model agnostic Explanations) at prototypes placed in the training data and compare them with approximate analytical models from turbulence theory. Finally, we verify our findings by reproducing them using two different methods.

42 ENGINEERING↗

Exploring data-driven modeling of boundary layer transition

Prediction of laminar-turbulent transition in boundary layer flows is an important component of predicting the aerodynamic performance of a number of aerospace configurations. According to the CFD Vision 2030 [1], transition modeling represents acriticalarea in CFD simulation capability that will remain a pacing item for the foreseeable future. The fact thattransition can take placevia either one of a myriad possible paths adds to the challenges inreliable transition predictions, despite a limited knowledge of the relevant input parameters. In the low disturbance environments typical of flight applications, transition is often initiated by small amplitude disturbances in the form of linear instability waves of the laminar boundary layer. These disturbances amplify linearly at first and eventually undergo a sequence of nonlinear interactions that result in transition to turbulence. Because the nonlinear phase is rather rapid, the amplification of boundary layer instabilities is governed by the linearstability theory over a majority of the distance leading up to the onset of transition. Semi-empirical transition correlations based on the linear stability theory have been successful in explaining the observed trends in transition location within a broad class of flows. However, the application of stability theory is highly non-robust and often requires a significant domain expertise. Recent work at the NASA Langley Research Center has beenaimed at bridging the gap between physics based transition analyses such as those based on linear stability theory and practical applications that require transition prediction by users that may not be well versed in transition physics. The applications of deep learning have been at the center of these efforts. This presentation will focus on the progress achieved thus far, highlighting the applications of neural networks to selectedtransition scenarios across a range of Mach numbers and flow configuration, as well as the lessons learnedand remaining challengeswithrespect to the selection of training data and neural networks architectures, hyperparameter tuning, and the physical insights distilled from the otherwise black-box models.

M. R. Malik↗

Probing lattice defects in crystalline battery cathode using hard X-ray nanoprobe with data-driven modeling

Lattice defects, e.g., dislocations and grain boundaries, critically impact the properties of crystalline battery cathode materials. A longstanding challenge is to probe the meso–scale heterogeneity and evolution of lattice defects with sensitivity to atomic-scale details. Herein, we tackle this issue with a unique combination of X-ray nanoprobe diffractive imaging and advanced machine learning techniques. The domains with different lattice defect configuration within a single-crystalline LiCoO2 cathode particle are faithfully revealed using our approach. We further visualize the rearrangement of grain boundaries and local crystallinity upon mild thermal annealing. Furthermore, these results pave a direct way to the understanding of crystalline battery materials’ response under external stimuli with high fidelity, which provides valuable empirical guidance to defect-engineering strategies for improving the cathode materials against aggressive battery operation.

36 MATERIALS SCIENCE↗

Towards fast and accurate predictions of radio frequency power deposition and current profile via data-driven modelling: applications to lower hybrid current drive

Three machine learning techniques (multilayer perceptron, random forest and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. A single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time to complete, which is acceptable for many purposes, but too slow for integrated modelling and real-time control applications. The machine learning models use a database of more than 16 000 GENRAY/CQL3D simulations for training, validation and testing. Latin hypercube sampling methods ensure that the database covers the range of nine input parameters ( $n_{e0}$ , $T_{e0}$ , $I_p$ , $B_t$ , $R_0$ , $n_{\|}$ , $Z_{{\rm eff}}$ , $V_{{\rm loop}}$ and $P_{{\rm LHCD}}$ ) with sufficient density in all regions of parameter space. The surrogate models reduce the inference time from minutes to $\sim$ ms with high accuracy across the input parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗