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At least 199 records · Page 11

Transfer learning for metamaterial design and simulation

Abstract We demonstrate transfer learning as a tool to improve the efficacy of training deep learning models based on residual neural networks (ResNets). Specifically, we examine its use for study of multi-scale electrically large metasurface arrays under open boundary conditions in electromagnetic metamaterials. Our aim is to assess the efficiency of transfer learning across a range of problem domains that vary in their resemblance to the original base problem for which the ResNet model was initially trained. We use a quasi-analytical discrete dipole approximation (DDA) method to simulate electrically large metasurface arrays to obtain ground truth data for training and testing of our deep neural network. Our approach can save significant time for examining novel metasurface designs by harnessing the power of transfer learning, as it effectively mitigates the pervasive data bottleneck issue commonly encountered in deep learning. We demonstrate that for the best case when the transfer task is sufficiently similar to the target task, a new task can be effectively trained using only a few data points yet still achieve a test mean absolute relative error of 3 % with a pre-trained neural network, realizing data reduction by a factor of 1000.

Peng, Rixi↗

Optical properties of marine stratocumulus clouds modified by ships

Results are presented of an application of the diffusion domain method to multispectral solar radiation measurements obtained deep within a marine stratocumulus cloud layer modified by pollution from ships. In situ airborne measurements of the relative angular distribution of scattered radiation are compared to known asymptotic expressions for the intensity field deep within an optically thick cloud layer. Analytical expressions relating the ratio of the nadir-to-zenith intensities to surface reflectance, similarity parameter, and scaled optical depth beneath the aircraft flight level are used to analyze measurements obtained with the cloud absorption radiometer mounted on the University of Washington's C-131A research aircraft. It is shown that the total optical thickness of the cloud layer increased in the ship tracks, in contrast to the similarity parameter, which decreased. The decrease in absorption was a direct consequence of the reduction in cloud droplet size that occurred within the ship tracks.

King, Michael D.↗

Collaborative Decision Approach for Electricity Pricing-demand Response Stackelberg Game

Demand response programs are considered as a valuable resource in smart grids that provide several advantages of load shifting, peak load reduction, mediating intermittency of renewable energy integration, etc. Flexible price-based incentives have been recognized as a critical strategy in motivating and compensating consumers' load adjustment actions for successful implementation of demand response. Game theoretical approaches, especially Stackelberg games are popularly adopted to model the relationship between electricity price and customers' demand response and solved by the classical centralized backward induction (BI) method. However, the BI method generally requires convexity of the follower's model for necessary optimality conditions, and the computational time of any centralized approach increases sharply with larger problem instances. In this paper, the Stackelberg game of electricity pricing-demand response between a distribution system operator (DSO) and load aggregators (LAs) is decomposed based on a collaborative optimization (CO) framework, where each LA is treated as a discipline with its own domain constraints (e.g. building temperature control), while the DSO at the system level tries to reduce the solution discrepancy and guide the searching towards optimality. Several groups of comparison experiments have demonstrated the effectiveness of the proposed collaborative decision approach in solving the demand response game.

Chen, Yang↗

Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain

There are three essential problems in computational relativistic chemistry: Electrons moving at relativistic speeds, close lying states, and dynamical correlation. Currently available quantum-chemical methods are capable of solving systems with one or two of these issues. However, there is a significant class of molecules in which all the three effects are present. These are the heavier transition metal compounds, lanthanides, and actinides with open d or f shells. For such systems, sufficiently accurate numerical methods are not available, which hinders the application of theoretical chemistry in this field. In this paper, we combine two numerical methods in order to address this challenging class of molecules. These are the relativistic versions of coupled cluster methods and the density matrix renormalization group (DMRG) method. To the best of our knowledge, this is the first relativistic implementation of the coupled cluster method externally corrected by DMRG. The method brings a significant reduction of computational costs as we demonstrate on the system of TlH, AsH, and SbH.

Brandejs, Jan (ORCID:0000000221073095)↗

PCAfold 2.0—Novel tools and algorithms for low-dimensional manifold assessment and optimization

We describe an update to our open-source Python package, PCAfold, designed to help researchers generate, analyze and improve low-dimensional data manifolds. In the current version, PCAfold 2.0, we introduce novel tools and algorithms for assessing and optimizing low-dimensional manifolds. This includes a method that generates a “map” of local feature sizes that can help pinpoint researchers to problematic regions on a manifold. We introduce a novel cost function that characterizes the quality of a manifold topology with a single number. We develop two algorithms for feature selection based on principal component analysis (PCA) that use the cost function as an objective function to minimize. We introduce a quantity of interest (QoI)-aware dimensionality reduction strategy where data projections are computed using an artificial neural network and are directly optimized towards representing various projection-independent and projection-dependent QoIs. We also introduce an implementation of partition of unity networks (POUnets) for efficient reconstruction of QoIs from low-dimensional manifolds based on combining neural network classification with localized polynomial regression. Our software can be broadly applicable in all domains of science and engineering that aim to reduce data dimensionality, as well as in the fundamental research on representation learning.

97 MATHEMATICS AND COMPUTING↗

Correlation of coercivity, microstructure, and surface defects in HDDR-processed Nd-Fe-B powders for bonded magnet applications

Hydrogenation-Disproportionation-Desorption-Recombination (HDDR) is an effective method for producing high coercivity, anisotropic powder from either fresh Nd-Fe-B alloy or recycled Nd-Fe-B magnets for use in bonded magnets. We investigated the impact of surface defects on the coercivity of HDDR-processed Nd-Fe-B using scanning electron microscopy (SEM), magnetic measurements, and micromagnetic simulations. We observed that coercivity decreases as particle size reduces, with SEM revealing surface defects and the detachment of Nd 2 Fe 14 B grains and Nd-rich phases from the particle surface. Micromagnetic simulations indicate that demagnetization initiates at the particle surface, where these defects are most concentrated, leading to reduced coercivity. The reduction in squareness of demagnetization curve, knee point field and coercivity for smaller HDDR particles is attributed to an increased specific surface area, which exhibits reduced nucleation field and weak domain wall pinning field during magnetization reversal. By addressing the role of surface defects in coercivity degradation, this study provides insights for improving both new powder production and recycling strategies, ultimately leading to enhanced performance of bonded magnets and contributing to more sustainable practices in the rare earth supply chain. One potential strategy to enhance the performance of HDDR Nd-Fe-B materials involves reducing the fraction of fine particles ($<$35 µm) and promoting the formation of grain boundary phases on particle surfaces.

Liu, Xubo B. [Ames Laboratory (AMES), Ames, IA (Un↗

Transfer function verification and block diagram simplification of a very high-order distributed pole closed-loop servo by means of non-linear time-response simulation

Linear frequency domain methods are inadequate in analyzing the 1975 Viking Orbiter (VO75) digital tape recorder servo due to dominant nonlinear effects such as servo signal limiting, unidirectional servo control, and static/dynamic Coulomb friction. The frequency loop (speed control) servo of the VO75 tape recorder is used to illustrate the analytical tools and methodology of system redundancy elimination and high order transfer function verification. The paper compares time-domain performance parameters derived from a series of nonlinear time responses with the available experimental data in order to select the best possible analytical transfer function representation of the tape transport (mechanical segment of the tape recorder) from several possible candidates. The study also shows how an analytical time-response simulation taking into account most system nonlinearities can pinpoint system redundancy and overdesign stemming from a strictly empirical design approach. System order reduction is achieved through truncation of individual transfer functions and elimination of redundant blocks.

Mukhopadhyay, A. K.↗

A Dynamic PCA and Machine Learning Tool for Automated Identification of Solar Wind Disturbances Impacting Earth’s Magnetosphere

Earth’s magnetosphere is continuously impacted by solar wind and interplanetary magnetic field (IMF) disturbances, such as shocks, discontinuities, magnetic clouds and more. Understanding how such disturbances propagate from the Sun and what is their impact on the different magnetospheric domains is key to understanding and forecasting energy transfer from the solar wind to Earth. The large number of overlapping solar wind and magnetospheric missions carrying magnetometers and the recent advances in communications and data storage technologies have enabled an unprecedented quantity of high-fidelity magnetic field data captured by in-situ spacecraft to be available at the click of a button. However, this massive quantity of available data can prove unwieldy for researchers, limiting the identification of interesting phenomena and disturbances to a relatively small percentage of the total dataset. Several techniques have been previously developed for automated identification of specific types of magnetic anomalies, but these methods are typically mission-specific and can be difficult to generalize. We present initial results for a generic method of automated anomaly detection in magnetic field measurements based on dimensionality reduction and unsupervised clustering via machine learning. The benefit of our technique is its high degree of generalizability and flexibility which make it a most useful data survey tool for a wide range of magnetic field datasets. This method can also be applied simultaneously to other observed time-series properties like plasma density, pressure, and velocity for more accurate event identification. Additionally, the application of this method to data captured by multiple spacecraft enables the simultaneous identification of disturbances and the determination of their propagation characteristics. Initial evaluation of this technique has been performed using data from Magnetospheric MultiScale (MMS) and THEMIS-ARTEMIS missions, providing a testbed scenario for the future Heliophysics Environmental and Radiation Measurement Experiment Suite (HERMES) platform instruments that will measure solar wind and IMF properties from lunar orbit onboard the Gateway station.

Miguel Martinez-Ledesma↗

A Dynamic PCA and Machine Learning Tool for Automated Identification of Solar Wind Disturbances Impacting Earth’s Magnetosphere

Earth’s magnetosphere is continuously impacted by solar wind and interplanetary magnetic field (IMF) disturbances, such as shocks, discontinuities, magnetic clouds and more. Understanding how such disturbances propagate from the Sun and what is their impact on the different magnetospheric domains is key to understanding and forecasting energy transfer from the solar wind to Earth. The large number of overlapping solar wind and magnetospheric missions carrying magnetometers and the recent advances in communications and data storage technologies have enabled an unprecedented quantity of high-fidelity magnetic field data captured by in-situ spacecraft to be available at the click of a button. However, this massive quantity of available data can prove unwieldy for researchers, limiting the identification of interesting phenomena and disturbances to a relatively small percentage of the total dataset. Several techniques have been previously developed for automated identification of specific types of magnetic anomalies, but these methods are typically mission-specific and can be difficult to generalize. We present initial results for a generic method of automated anomaly detection in magnetic field measurements based on dimensionality reduction and unsupervised clustering via machine learning. The benefit of our technique is its high degree of generalizability and flexibility which make it a most useful data survey tool for a wide range of magnetic field datasets. This method can also be applied simultaneously to other observed time-series properties like plasma density, pressure, and velocity for more accurate event identification. Additionally, the application of this method to data captured by multiple spacecraft enables the simultaneous identification of disturbances and the determination of their propagation characteristics. Initial evaluation of this technique has been performed using data from Magnetospheric MultiScale (MMS) and THEMIS-ARTEMIS missions, providing a testbed scenario for the future Heliophysics Environmental and Radiation Measurement Experiment Suite (HERMES) platform instruments that will measure solar wind and IMF properties from lunar orbit onboard the Gateway station.

Miguel Martinez-Ledesma↗

Time-Domain Nuclear Magnetic Resonance Determination of Wettability Alteration: Analysis for Low-Salinity Water

Wettability has been shown to influence oil recovery. This property has become central to low-salinity (LSW) and smart (SWF) water flooding recovery mechanisms research. The challenge lies in the fact that oil recovery results from the combined effects of solid-liquid and liquid-liquid interactions. This demands methods that allow an independent interpretation of wettability alteration contributions. The primary objective of this work is to assess changes in wettability through the application of Time-Domain Nuclear Magnetic Resonance (TD-NMR) T 2 distribution and diffusion coefficient, starting with a well-controlled porous system, that is, glass beads, and then a model rock (Berea), in the presence of one phase, either oil or brine exclusively. Subsequently, two-phase fluid saturation was tested. For the glass beads, dimethyldichlorosilane was used to induce a hydrophobic response, as confirmed by contact angle experiments on slides of the same material. Sodium sulfate was used for its known positive influence on oil recovery during LSW and SWF. In cases where alteration of surface properties was expected, a leftward shift of the average T 2 distribution curve modes, accompanied by a reduction on the diffusion coefficient during the aging process was observed. The results of this work confirm that fluid-solid interactions during LSW and SWF, namely a shift in wettability, take place after the injection of low-salinity water.

42 ENGINEERING↗

Viscous flow simulations of internal store carriage and separation

The internal carriage of stores by the military aircraft is an option for possible reductions in the aerodynamic drag and the observability. Trade studies of this option require considering the aircraft and the stores together. In an effort to develop a computational fluid dynamic (CFD) code for such studies, an investigation was conducted from 1986 to 1990. The study was divided into five building-block steps. First, a full Navier-Stokes code was developed to simulate the unsteady, three-dimensional cavity flow. As the second step, this code was then used to simulate the flows past various missile configurations at angles of attack up to 44 deg. The effects of incidence as well as the turbulence on the leeside flows were computationally captured. The objective of this study has involved the interference flows of rather complex configurations with multiple, joint or disjoint, components of nonsimilar geometries. Hence, a hybrid domain decomposition (HDD) method was developed as the third step of the investigation. The strengths of the multiblock, zonal, and overlapped grids were judiciously combined and employed for the present problem. In the fourth step, the interference flow past a missile near a flat-plate wing was simulated using the HDD method. Finally, the fifth step involved the simulation of the internal store carriage and separation. Four different cases for two different configurations were simulated. The computational results of all five steps were successfully compared with the available wind tunnel test data. The unsteady aerodynamic forces on the separating store were computationally predicted. The CFD code developed for this project is called Viscous Internal Store Carriage Code (VISCC).

Baysal, Oktay↗

Applying Time-Parallelization to Turbulent Flows

Parallelization of the temporal domain is explored for the solution of turbulent flows. Multigrid reduction-in-time (MGRIT) is used to advance the large-scale fluid dynamics in time sequentially on the coarsest space-time grid but propagate the information in time parallel on all other levels. The goal of this process is to accurately and efficiently resolve the coarse-scale turbulence structure and use that to drive the fine-scales of the turbulent flow. The extra forcing from nonlinear multigrid facilitates the coupling and interaction between fine and coarse scales, through which the multiscale nonlinear physics is properly captured. Adaptive mesh refinement is employed to finely resolve only the regions with strong gradients, which provides further computational efficiency. The underlying computational fluid dynamics solver is a fourth-order finite-volume scheme with the standard 4-stage Runge-Kutta method. An advanced approach is devised and implemented to enable MGRIT to solve highly turbulent flows successfully. Furthermore, the method is applied to solve a Taylor-Green vortex problem and a doubleshear-layer turbulent mixing flow. Results are promising, validating that MGRIT with the filtering approach has the potential to efficiently solve general turbulent flows.

Computational Fluid Dynamics↗

Synthesis of the land carbon fluxes of the Amazon region between 2010 and 2020

The Amazon is the largest continuous tropical forest in the world and plays a key role in the global carbon cycle. Human-induced disturbances and climate change have impacted the Amazon carbon balance. Here we conduct a comprehensive synthesis of existing state-of-the-art estimates of the contemporary land carbon fluxes in the Amazon using a set of bottom-up methods (i.e., dynamic vegetation models and bookkeeping models) and a top-down inversion (atmospheric inversion model) over the Brazilian Amazon and the whole Biogeographical Amazon domain. Over the whole biogeographical Amazon region bottom-up methodologies suggest a small average carbon sink over 2010-2020, in contrast to a small carbon source simulated by top-down inversion (2010-2018). However, these estimates are not significantly different from one another when accounting for their large individual uncertainties, highlighting remaining knowledge gaps, and the urgent need to reduce such uncertainties. Nevertheless, both methodologies agreed that the Brazilian Amazon has been a net carbon source during recent climate extremes and that the south-eastern Amazon was a net land carbon source over the whole study period (2010-2020). Overall, our results point to increasing human-induced disturbances (deforestation and forest degradation by wildfires) and reduction in the old-growth forest sink during drought.

54 ENVIRONMENTAL SCIENCES↗

Navier-Stokes solutions for two-dimensional subsonic base flow

Methods for determining the effects of mass injection from the trailing edge of a bluff body at low speeds and in transonic flow were numerically studied along with an unmodified blunt-based body to gain insight into the effects of vortex shedding on the base drag. The methodology used to obtain finite-difference solutions to the Navier-Stokes equations for subsonic compressible two-dimensional near-wake flows is presented. The effectiveness of an introduced outflow boundary condition which minimizes reflections back into the computational domain was demonstrated with the solution of a model vortex problem. Calculations of the near-wake flow past a circular cylinder were in excellent agreement with experimental data. Laminar-flow solutions for a blunt-based model with and without a base cavity and with mass injection into the wake agreed qualitatively with experimental observations. The drag reduction capability provided by such base modifications was demonstrated.

Rudy, D. H.↗

SAVS: A Space and Atmospheric Visualization Science system

The research environment faced by space and atmospheric scientists in the 1990s is characterized by unprecedented volumes of new data, by ever-increasing repositories of unexploited mission files, and by the widespread use of empirical and large-scale computational models needed for the synthesis of understanding across data sets and discipline boundaries. The effective analysis and interpretation of such massive amounts of information have become the subjects of legitimate concern. With SAVS (a Space and Atmospheric Visualization Science System), we address these issues by creating a 'push-button' software environment that mimics the logical scientific processes in data acquisition, reduction, and analysis without requiring a detailed understanding of the methods, networks, and modules that link the tools and effectively execute the functions. SAVS provides (1) a customizable framework for accessing a powerful set of visualization tools based on the popular AVS visualization software with hooks to PV-Wave and access to Khoros modules, (2) a set of mathematical and statistical tools, (3) an extensible library of discipline-specific functions and models (e.g., MSIS, IRI, Feldstein Oval, IGRF, satellite tracking with CADRE-3, etc.), and (4) capabilities for local and remote data base access. The system treats scalar, vector, and image data, and runs on most common Unix workstations. We present a description of SAVS and its components, followed by several applications based on generic research interests in interplanetary and magnetospheric physics (IMP/ISTP), active experiments in space (CRRES), and mission planning focused on the Earth's thermospheric, ionospheric, and mesospheric domains (TIMED).

Szuszczewicz, E. P.↗

A Modular Conjugate Heat Transfer Optimization Framework for Thermal Management of Electric Aircraft

Conjugate heat transfer (CHT) analysis and optimization is a powerful method for improving thermal management, as it simultaneously resolves the temperature distribution in both fluid and solid domains. This paper presents a modular, discrete adjoint-based CHT optimization capability integrated within the OpenMDAO/MPhys framework. A unique feature of the proposed framework is its flexibility to extend to multidisciplinary optimization, including aero-structural-thermal applications. The fluid domain is modeled using a finite-volume Computational Fluid Dynamics (CFD) solver, and the solid domain with a conduction heat transfer solver. A mixed Neumann-Dirichlet boundary condition is developed to enable full submersion of the solid geometry within the fluid domain, while ensuring consistent temperature and heat flux coupling at the CHT interface. Gradient-based optimization is performed; the gradients are efficiently computed using the discrete adjoint solvers implemented in DAFoam. To demonstrate the method, this paper considers two cases related to electric aircraft thermal management: a U-bend heat exchanger and an actively cooled battery pack. The U-bend case aims to minimize pressure loss while maximizing heat flux by changing the pipe geometry. The optimized design reduces pressure loss by 52.7% and increases total heat flux by 2.3%. In the battery pack case, a 3-by-3 cell configuration is cooled by ambient airflow, with constant heat generation prescribed in the cells. The battery casing shape serves as the design variable, and the objective function is a weighted sum of pressure loss and pack weight, subject to a maximum temperature constraint. The optimized design achieves a 44.6% reduction in pressure loss and a 1.5% reduction in weight, while satisfying the thermal constraint. To ensure the reliability of the optimized designs, this study validates coarse-mesh, steady-state predictions against fine-mesh unsteady simulations, demonstrating consistency within acceptable errors. This work demonstrates the potential of the developed framework to enable rapid, high-fidelity design of thermal management systems for electric aircraft.

heat transfer↗

Efficient Implementations of the Quadrature-Free Discontinuous Galerkin Method

The efficiency of the quadrature-free form of the dis- continuous Galerkin method in two dimensions, and briefly in three dimensions, is examined. Most of the work for constant-coefficient, linear problems involves the volume and edge integrations, and the transformation of information from the volume to the edges. These operations can be viewed as matrix-vector multiplications. Many of the matrices are sparse as a result of symmetry, and blocking and specialized multiplication routines are used to account for the sparsity. By optimizing these operations, a 35% reduction in total CPU time is achieved. For nonlinear problems, the calculation of the flux becomes dominant because of the cost associated with polynomial products and inversion. This component of the work can be reduced by up to 75% when the products are approximated by truncating terms. Because the cost is high for nonlinear problems on general elements, it is suggested that simplified physics and the most efficient element types be used over most of the domain.

Lockard, David P.↗

Local Lagrangian reduced-order modeling for the Rayleigh-Taylor instability by solution manifold decomposition

The Rayleigh-Taylor instability is a classical hydrodynamic instability of great interest in various disciplines of science and engineering, including astrophysics, atmospheric sciences and climate, geophysics, and fusion energy. Analytical methods cannot be applied to explain the long-time behavior of the Rayleigh-Taylor instability, and therefore, numerical simulation of the full problem is required. However, in order to capture the growth of amplitude of perturbations accurately, both the spatial and temporal discretizations need to be extremely fine for traditional numerical methods, and long-time simulation may become prohibitively expensive. In this paper, we propose efficient reduced order model techniques to accelerate the simulation of the Rayleigh-Taylor instability in compressible gas dynamics. Here, we introduce a general framework for decomposing the solution manifold to construct the temporal domain partition and temporally-local reduced order model construction with varying Atwood number. We propose two practical approaches in this framework, namely decomposition by physical time and by penetration distance. Numerical results are presented to examine the performance of the proposed approaches.

97 MATHEMATICS AND COMPUTING↗