Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Domain decomposition”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9

Nonnegative canonical tensor decomposition with linear constraints: nnCANDELINC

Abstract There is an emerging interest for tensor factorization applications in big‐data analytics and machine learning. To speed up the factorization of extra‐large datasets, organized in multidimensional arrays (also known as tensors), easy to compute compression‐based tensor representations, such as, Tucker and tensor train formats, are used to approximate the initial large‐tensor. Further, tensor factorization is used to extract latent features that can facilitate discoveries of new mechanisms and signatures hidden in the data, where the explainability of the latent features is of principal importance. Nonnegative tensor factorization extracts latent features that are naturally sparse and parts of the data, which makes them easily interpretable. However, to take into account available domain knowledge and subject matter expertise, often additional constraints need to be imposed, which lead us to canonical decomposition with linear constraints (CANDELINC), a canonical polyadic decomposition with rank deficient factors. In CANDELINC, Tucker compression is used as a preprocessing step, which lead to a larger residual error but to more explainable latent features. Here, we propose a nonnegative CANDELINC (nnCANDELINC) accomplished via a specific nonnegative Tucker decomposition; we refer to as minimal or canonical nonnegative Tucker. We derive several results required to understand the specificity of nnCANDELINC, focusing on the difficulties of preserving the nonnegative rank of a tensor to its Tucker core and comparing the real valued to nonnegative case. Finally, we demonstrate nnCANDELINC performance on synthetic and real‐world examples.

97 MATHEMATICS AND COMPUTING↗

Redesigned Hybrid Nylons with Optical Clarity and Chemical Recyclability

Aliphatic polyamides, or nylons, are typically highly crystalline and thermally robust polymers used in high-performance applications. Nylon 6, a high-ceiling-temperature (HCT) polyamide from e-caprolactam, lacks expedient chemical recyclability, while low-ceiling temperature (LCT) nylon 4 from pyrrolidone exhibits complete chemical recyclability, but it is thermally unstable and not melt-processable. Here, we introduce a hybrid nylon, nylon 4/6, based on a bicyclic lactam composed of both HCT ..epsilon..-caprolactam and LCT pyrrolidone motifs in a hybridized offspring structure. Hybrid nylon 4/6 overcomes trade-offs in (de)polymerizability and performance properties of the parent nylons, exhibiting both excellent polymerization and facile depolymerization characteristics. This stereoregular polyamide forms nanocrystalline domains, allowing optical clarity and high thermal stability, however, without displaying a melting transition before decomposition. Of a series of statistical copolymers comprising nylon 4/6 and nylon 4, a 50/50 copolymer achieves the greatest synergy in both reactivity and polymer properties of each homopolymer, offering an amorphous nylon with favorable properties, including optical clarity, a high glass transition temperature, melt processability, and full chemical recyclability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Envelope Time Synchronous Averaging for Wind Turbine Gearbox Fault Diagnosis

Vibration-based condition monitoring techniques are widely used for diagnosing faults in rotating machines. These techniques are implemented in the time domain, the frequency domain, or both. However, the composite and noisy nature of the raw data collected requires a preprocessing stage such as filtering and decomposition using in-depth processing techniques. Moreover, these methods require good frequency resolution and involve examining a broad frequency range to discern both healthy and faulty cases. In this work, we introduce a simple and fast diagnostic scheme for wind turbine gear teeth wear based on time domain analysis. The proposed method is based on the local minima interpolation of a filtered version of the vibration signal following time synchronous averaging (TSA) technique. Given tachometer signal, the TSA of the vibration data is performed using MTALAB software. Then, local minima of the filtered signal are interpolated using the Piecewise Cubic Hermite Interpolating Polynomial (PCHIP) function. The variance of the interpolated curve built a gear fault index. The derived fault index resulting of the proposed technique allows a substantial distinction between the healthy and faulty cases. Its efficiency is validated using 10 real-world datasets of vibration stemmed from a wind turbine planetary gearbox. The proposed method boasts a low computation time and ease of interpretation, specifically beneficial for gearbox fault diagnosis purposes.

fault diagnosis↗

Temporal Convolutional Network Using Empirical Mode Decomposition to Detect Faults in Grid Connected Systems

Grid-connected power electronic systems require timely and reliable fault detection to prevent equipment damage and reduce downtime. This paper presents a forecasting-based anomaly detection pipeline that decomposes voltage and current measurements into intrinsic mode functions (IMFs) using empirical mode decomposition (EMD), then trains a causal temporal convolutional network (TCN) on normal-operation IMF data to predict short-horizon future dynamics. Deviations between forecasts and observations are summarized as reliability-weighted residual scores and thresholded per sensor using robust statistics with temporal persistence constraints to suppress false positives. To reduce runtime, EMD is performed on downsampled signals for detection, while raw-rate EMD is applied only within a short region of interest for high-frequency interpretability near detected events. Results on a simulated grid-connected converter system demonstrate that IMF-domain forecasting improves anomaly separability relative to raw-signal forecasting and provides interpretable evidence of faults across decomposition channels.

Sutton, Elizabeth [ORNL] (ORCID:0009000078885935)↗

Hierarchical model reduction driven by a proper orthogonal decomposition for parametrized advection-diffusion-reaction problems

This work combines the Hierarchical Model (HiMod) reduction technique with a standard Proper Orthogonal Decomposition (POD) to solve parametrized partial differential equations for the modeling of advection-diffusion-reaction phenomena in elongated domains (e.g., pipes). This combination leads to what we define as HiPOD model reduction, which merges the reliability of HiMod reduction with the computational efficiency of POD. Two HiPOD techniques are presented and assessed by an extensive numerical verification.

97 MATHEMATICS AND COMPUTING↗

The Stellar decomposition: A compact representation for simplicial complexes and beyond

Here, we introduce the Stellar decomposition, a model for efficient topological data structures over a broad range of simplicial and cell complexes. A Stellar decomposition of a complex is a collection of regions indexing the complex’s vertices and cells such that each region has sufficient information to locally reconstruct the star of its vertices, i.e., the cells incident in the region’s vertices. Stellar decompositions are general in that they can compactly represent and efficiently traverse arbitrary complexes with a manifold or non-manifold domain. They are scalable to complexes in high dimension and of large size, and they enable users to easily construct tailored application-dependent data structures using a fraction of the memory required by a corresponding global topological data structure on the complex. As a concrete realization of this model for spatially embedded complexes, we introduce the Stellar tree, which combines a nested spatial tree with a simple tuning parameter to control the number of vertices in a region. Stellar trees exploit the complex’s spatial locality by reordering vertex and cell indices according to the spatial decomposition and by compressing sequential ranges of indices. Stellar trees are competitive with state-of-the-art topological data structures for manifold simplicial complexes and offer significant improvements for cell complexes and non-manifold simplicial complexes. We conclude with a high-level description of several mesh processing and analysis applications that utilize Stellar trees to process large datasets.

97 MATHEMATICS AND COMPUTING↗

Detecting Thermally-Induced Spinodal Decomposition with Picosecond Ultrasonics in Cast Austenitic Stainless Steels

Destructive techniques to monitor nuclear reactor component health may not always be available during service, as they are time-consuming and often require pre-installed inspection coupons. Non-destructive evaluation (NDE) techniques can bridge this gap by rapidly identifying the state of mission-critical reactor components, via inference between NDE-measurable material properties and those of ultimate interest, such as ductility and toughness. Here, we demonstrate one such inference about the health of thermally aged cast austenitic stainless steels. Observations of surface acoustic wave peak (SAW) splitting correlate with spinodal decomposition-induced embrittlement as destructively measured by Charpy impact energy. Elastodynamic calculations and molecular dynamics simulations of the effects of spinodal decomposition on elastic moduli support that the new acoustic modes present are due to stiffening in the δ-ferrite domains. Finally, this discovery enables one to probe structure-property relationships in materials in a greatly accelerated manner, suggesting that similar inference methods can be used to determine material fitness-for-service, or to quickly uncover new structure-property relationships.

304-type stainless steel↗

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↗

A Survey of Singular Value Decomposition Methods for Distributed Tall/Skinny Data

The Singular Value Decomposition (SVD) is one of the most important matrix factorizations, enjoying a wide variety of applications across numerous application domains. In statistics and data analysis, the common applications of SVD inclue Principal Components Analysis (PCA) and regression. Usually these applications arise on data that has far more rows than columns, so-called "tall/skinny" matrices. In the big data analytics context, this may take the form of hundreds of millions to billions of rows with only a few hundred columns. There is a need, therefore, for fast, accurate, and scalable tall/skinny SVD implementations which can fully utilize modern computing resources. To that end, we present a survey of three different algorithms for computing the SVD for these kinds of tall/skinny data layouts using MPI for communication. We contextualize these with common big data analytics techniques. Finally, we present both CPU and GPU timing results from the Summit supercomputer, and discuss possible alternative approaches.

Schmidt, Drew↗

Local Decomposition of Hexahedral Singular Nodes into Singular Curves

Hexahedral (hex) meshing is a long studied topic in geometry processing with many challenging associated problems. Hex meshes vary from structured to unstructured depending on application or domain of interest. Fully structured meshes require that all interior mesh edges be adjacent to four hexes each. Edges failing this criteria are singular and indicate an unstructured hex mesh. Singular edges join together into singular curves that either form closed cycles, end on the mesh boundary, or end at a singular node, a complex junction of more than two singular curves. Hex meshes with more complex singular nodes tend to have more distorted elements and smaller scaled Jacobian values. In this work, we study the topology of singular nodes. We show that all eight of the most common singular nodes are decomposable into just singular curves. We further show that all singular nodes, regardless of edge valence, are locally decomposable. Finally we demonstrate these decompositions on hex meshes, thereby decreasing their distortion and converting all singular nodes into singular curves. In conclusion, with this decomposition, the enigmatic complexity of 3D singular nodes becomes effectively 2D.

97 MATHEMATICS AND COMPUTING↗

Modulating the Mixing Gibbs Free Energy to Enhance Solid–Liquid Phase Separation for High–Performance Organic Solar Cells

Organic solar cells (OSC) feature a hierarchical structure with the electron donor/acceptor layer sandwiched by anode and cathode, which raises the importance of controlling the molecular crystal orientation, domain size, and vertical distribution to facilitate the charge collection at electrodes. However, the similar conjugated backbone of donor/acceptor material and fast film–formation kinetics have led to spinodal–decomposition–orientated phase separation that result in the film presenting an intimately mixed morphology and random molecular orientation. To solve the issue, the mixing Gibbs free energy–triggered solid–liquid phase separation during the film formation process is enhanced by solidifying one component and solvating the other based on a liquid additive. Following the liquid evaporation process, a favorable vertical distribution is obtained. Meanwhile, the prolonged solvation process enlarges the domain size and assists the molecules to diffuse and orient properly, enabling better exciton/charge dynamics during the power conversion processes. As a result, the fabricated devices exhibit a fill factor over 80% and an efficiency of 18.72%, which is one of the top efficiencies for binary OSCs. In conclusion, insights and a methodology is provided here to manipulate the organic donor/acceptor phase separation in terms of mixing Gibbs free energy.

14 SOLAR ENERGY↗

Heating and Acceleration of Solar Wind by Parametric Decay Instability Mediated Turbulence

One of the main goals of this project to understand the origin of density fluctuations in the solar winds, as revealed by the NASA’s Flagship satellite Parker Solar Probe (PSP) measurements, which motivates us to simulate and analyze magnetohydrodynamic (MHD) turbulence in the compressible regime. To achieve this goal, we have developed a set of sophisticated turbulence driving methods to study how MHD turbulence will develop under different time-correlated fluctuations at large-scales. Another key advance is that we have developed a new 3+1 (three spatial plus time domain) 4D FFT analysis of simulation data-cubes so that we can perform the spatio-temporal spectrum and mode decomposition studies on MHD turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗

Reduced order models for thermal radiative transfer problems based on moment equations and data-driven approximations of the Eddington tensor

Here a new group of structure and asymptotic preserving reduced-order models (ROMs) for multidimensional nonlinear thermal radiative transfer (TRT) problems is presented. They are formulated by means of the nonlinear projective approach and data compression techniques. The nonlinear projection is applied to the Boltzmann transport equation (BTE) to derive a hierarchy of low-order moment equations. Approximation of the Eddington tensor that provides exact closure for the system of moment equations is found with projection-based data-driven methodologies. These include the (i) proper orthogonal decomposition (POD), (ii) dynamic mode decomposition (DMD) and (iii) a variant of the DMD. A parameterization is derived for this ROM for the temperature of radiation incoming to the problem domain (the radiation drive temperature). This parameterization is informed from results of a dimensionless study of the TRT problem. Analysis of the ROMs is performed on the classical Fleck-Cummings TRT multigroup test problem in 2D geometry with a radiation-driven Marshak wave. Numerical results are presented to demonstrate the performance of these ROMs for the simulation of evolving radiation and heat waves. Results show these models to be sufficiently accurate for practical computations with rather low-rank representations of the Eddington tensor. As the rank of the approximation is increased, the errors of solutions generated by the ROMs gradually decreases.

42 ENGINEERING↗

Understanding the speciation of molten iodide salts via spectro-electrochemistry

Iodine is a high yield fission product of concern for the environmental effects due to its high volatility and biological impacts to the human body. Iodine speciation in molten salts, specifically iodide salts, is not well understood due to its reactivity at higher temperature domains. UV-Vis spectroscopy indicates a change in the speciation of the molten iodide salts starting at 500oC based on the decomposition of the salt itself, forming I3- ions. This work investigated the spectral changes of I- ions in molten LiI-KI and LiI-KI-NiI2 while manipulating the salts electrochemically using an inert graphite electrode at 400oC.The Li+/Li(s) and the Ni2+/Ni(s) transitions were studied using cyclic voltammetry, chronoamperometry/chronopotentiometry to characterize the respective reduction-oxidation waves. As cyclic voltammetry was applied, the UV-Vis spectroscopy showed a change in the characteristic signal of molten LiI-KI, indicating a disproportionation reaction in the molten salt, leading to formation of I3- ions and I2 gas.

36 - MATERIALS SCIENCE↗

Enhancing the performance of lithium oxygen batteries through combining redox mediating salts with a lithium protecting salt

Li–O 2 batteries have recently emerged to meet nowadays elevated electric energy demands. Redox mediators (RMs) for solution-inducing decomposition of discharge products are one approach to increase energy efficiency and reduce high overpotentials in these batteries. However, multiple obstacles hinder their usage such as redox shuttling, capacity fading, electrolyte degradation, etc. Herein, we present a new chemistry based on a combination of LiNO 3 , TEGDME and an ionic liquid that enables LiI (1 M) to lower the charge potential (3.5V) with a long cycle life of 270 cycles. 0.1 M LiI increases the cyclability up to 500 with a slightly increased charge potential (~4V) for a fixed capacity of 1000 mAh/g. Up to 100 cycles, this battery system retained ~95% Li 2 O 2 capacity with a ~0.8 V charge-discharge polarization gap. The addition of LiNO 3 to the electrolyte provides a protective solid electrolyte interface (SEI) on anode that works in synergy with the LiI RM. Moreover, we found that this electrolyte blend results in domain formation of ionic and neutral species enhancing the discharge and charge processes. Finally, DFT calculations provide a better understanding of the role of the anode SEI layer and the Li 2 O 2 decomposition promoted by the LiI during charge on the cathode.

25 ENERGY STORAGE↗

Space-Time Finite Element Tensor Network Approach for the Time-Dependent Convection–Diffusion–Reaction Equation with Variable Coefficients

In this paper, we present a new space-time Galerkin-like method, where we treat the discretization of spatial and temporal domains simultaneously. This method utilizes a mixed formulation of the tensor-train (TT) and quantized tensor-train (QTT) (please see Section Tensor-Train Decomposition), designed for the finite element discretization (Q1-FEM) of the time-dependent convection–diffusion–reaction (CDR) equation. We reformulate the assembly process of the finite element discretized CDR to enhance its compatibility with tensor operations and introduce a low-rank tensor structure for the finite element operators. Recognizing the banded structure inherent in the finite element framework’s discrete operators, we further exploit the QTT format of the CDR to achieve greater speed and compression. Additionally, we present a comprehensive approach for integrating variable coefficients of CDR into the global discrete operators within the TT/QTT framework. The effectiveness of the proposed method, in terms of memory efficiency and computational complexity, is demonstrated through a series of numerical experiments, including a semi-linear example.

convection–diffusion–reaction equation↗

Evidence for I 2 loss from the perovskite–gas interface upon light-induced halide segregation

Sunlight-induced halide segregation in (CH 3 NH 3 )Pb(Br x I 1−x ) 3 (1 > x > 0.2), which limits obtainable voltages from solar cells with these perovskite absorbers, reverses upon resting in the dark. However, sustained illumination at ca. 1 sun opens a new decomposition pathway, leading to irreversible I 2 loss in an open system. We conclusively show I 2 off-gassing from halide-segregated (CH 3 NH 3 )Pb(Br 0.75 I 0.25 ) 3 by trapping gaseous I 2 and tracking the electronic conductivity of the perovskite, which increases from electron-doping as iodides are oxidized to iodine. Importantly, we show that this reaction occurs across the perovskite-air solid–gas interface, without confounding effects from solvent or reactive solid interfaces. This characterization was conducted under a nitrogen atmosphere, avoiding vacuum- and oxygen-driven I 2 loss pathways. Consistent observations of I 2 loss upon light-soaking CsPb(Br 0.75 I 0.25 ) 3 films show that this reaction is intrinsic to the inorganic framework. We propose that the disruption of iodide-rich domains in the halide-segregated films through I 2 loss can masquerade as a light-induced healing or apparent remixing of the segregated film, when in fact it leads to irreversible decomposition. Although I 2 off-gassing is less likely in bromide-rich solid solutions, light-induced halide segregation brings the iodides into proximity and forms electronic states that are energetically poised to trap and accumulate holes, providing a driving force for I 2 loss. Thus, even bromide-rich mixed-halide perovskite absorbers will benefit from I 2 -impermeable encapsulation for long-term stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parametric reduced-order modeling for component-oriented treatment and localized nonlinear feature inclusion

Abstract We propose coupling a physics-based reduction framework with a suited response decomposition technique to derive a component-oriented reduction (COR) approach, which is suitable for assembly systems featuring localized nonlinearities. Dependencies on influencing parameters are injected into the reduced-order model (ROM), thus ensuring robustness and validity over a domain of parametric inputs, while capturing nonlinear effects. The implemented approach employs individual component modes to capture localized features while additionally relying on reduced modes of a global nature to approximate the system’s dynamics accurately. The global modes are derived from a linear monolithic system, defined as a result of a coordinate separation scheme, which permits the proposed COR-ROM to naturally couple the response between linear and nonlinear subdomains. The derived low-order representation utilizes a proper orthogonal decomposition projection and is additionally reinforced with the inclusion of a hyper-reduction technique to capture the underlying high-fidelity model response while providing accelerated computations. The resulting approach is exemplified in the synthetic case studies of a four-story shear frame with multiple nonlinear regions driven by hysteresis and a large-scale kingpin connection featuring plasticity.

Vlachas, Konstantinos (ORCID:000000029124219X)↗