Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Trending analysis”

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 613 records · Page 34

Measuring the Energy Consumption and Efficiency of Deep Neural Networks: An Empirical Analysis and Design Recommendations

Addressing the "Red-AI" trend of rising energy consumption by large-scale neural networks, this study investigates the measured energy consumption of training various fully connected neural network architectures. We introduce the BUTTER-E dataset, an augmentation to the BUTTER Empirical Deep Learning dataset, containing energy consumption and performance data from 41,129 individual experimental runs spanning 30,582 distinct configurations: 13 datasets, 20 sizes (trainable parameters), 8 "shapes", and 14 depths on both CPUs and GPUs using node-level watt-meters. This dataset reveals the complex relationship between dataset size, network structure, and energy use. Our analysis uncovers a surprising, hardware-mediated non-linear relationship between energy efficiency and network design, challenging the assumption that reducing the number of parameters or FLOPs is the best way to achieve greater energy efficiency. We propose a straightforward and effective energy model that accounts for network size, computing, and memory hierarchy. Highlighting the need for cache-considerate algorithm development, we suggest a codesign approach to energy efficient network, algorithm, and hardware design. This work contributes to the fields of sustainable computing and Green AI, offering practical guidance for creating more energy-efficient neural networks and promoting sustainable AI.

97 MATHEMATICS AND COMPUTING↗

Quantifying Main Trends in Lysozyme Nucleation: The Effects of Precipitant Concentration, Supersaturation and Impurities

Full factorial experimental design incorporating multi-linear regression analysis of the experimental data allows quick identification of main trends and effects using a limited number of experiments. In this study these techniques were employed to identify the effect of precipitant concentration, supersaturation, and the presence of an impurity, the physiological lysozyme dimer, on the nucleation rate and crystal dimensions of the tetragonal forin of chicken egg white lysozyme. Decreasing precipitant concentration, increasing supers aturation, and increasing impurity, were found to increase crystal numbers. The crystal axial ratio decreased with increasing precipitant concentration, independent of impurity.

Burke, Michael W.↗

Hydrogen Evolution on Electrode‐Supported Pt n Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity

Abstract We report the size‐dependent activity and stability of supported Pt 1,4,7,8 for electrocatalytic hydrogen evolution reaction, and show that clusters outperform polycrystalline Pt in activity, with size‐dependent stability. To understand the size effects, we use DFT calculations to study the structural fluxionality under varying potentials. We show that the clusters can reshape under H coverage and populate an ensemble of states with diverse stoichiometry, structure, and thus reactivity. Both experiment and theory suggest that electrocatalytic species are hydridic states of the clusters (≈2 H/Pt). An ensemble‐based kinetic model reproduces the experimental activity trend and reveals the role of metastable states. The stability trend is rationalized by chemical bonding analysis. Our joint study demonstrates the potential‐ and adsorbate‐coverage‐dependent fluxionality of subnano clusters of different sizes and offers a systematic modeling strategy to tackle the complexities.

Zhang, Zisheng↗

Hydrogen Evolution on Electrode–Supported Ptn Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity

We report the size-dependent activity and stability of supported Pt1,4,7,8 for electrocatalytic hydrogen evolution reaction, and show that clusters outperform polycrystalline Pt in activity, with sizedependent stability. To understand the size effects, we use DFT calculations to study the structural fluxionality under varying potentials. We show that the clusters can reshape under H coverage and populate an ensemble of states with diverse stoichiometry, structure, and thus reactivity. Both experiment and theory suggest that electrocatalytic species are hydridic states of the clusters (~2 H/Pt). An ensemble-based kinetic model reproduces the experimental activity trend and reveals the role of metastable states. Furthermore, the stability trend is rationalized by chemical bonding analysis. Our joint study demonstrates the potential- and adsorbate-coverage-dependent fluxionality of subnano clusters of different sizes and offers a systematic modeling strategy to tackle the complexities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

Abstract Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic mechanisms because it can identify the greatest sources of model output error. Owing to the very nonlinear relationship between kinetic and thermodynamic parameters and computed concentrations, model predictions can be extremely sensitive to uncertainties in some parameters while uncertainties in other parameters can be irrelevant. Error propagation becomes even more convoluted in automatically generated kinetic models, where input uncertainties are correlated through kinetic rate rules and thermodynamic group values. Local and global uncertainty analyses were implemented and used to analyze error propagation in Reaction Mechanism Generator (RMG), an open‐source software for generating kinetic models. A framework for automatically assigning parameter uncertainties to estimated thermodynamics and kinetics was created, enabling tracking of correlated uncertainties. Local first‐order uncertainty propagation was implemented using sensitivities computed natively within RMG. Global uncertainty analysis was implemented using adaptive Smolyak pseudospectral approximations as implemented in the MIT Uncertainty Quantification Library to efficiently compute and construct polynomial chaos expansions to approximate the dependence of outputs on a subset of uncertain inputs. Cantera was used as a backend for simulating the reactor system in the global analysis. Analyses were performed for a phenyldodecane pyrolysis model. Local and global methods demonstrated similar trends; however, many uncertainties were significantly overestimated by the local analysis. Both local and global analyses show that correlated uncertainties based on kinetic rate rules and thermochemical groups drastically reduce a model's degrees of freedom and have a large impact on the determination of the most influential input parameters. These results highlight the necessity of incorporating uncertainty analysis in the mechanism generation workflow.

Gao, Connie W.↗

Liquid Chromatography Mass Spectrometry study of eutectic bis(2,2-dinitropropyl) acetal/formal

This study is the first attempt to document methodology development undergone using liquid chromatography tandem quadrupole time of flight mass spectrometry (LC-QTOF) to investigate degradation products of eutectic bis(2,2-dinitropropyl) acetal/formal nitroplasticizer (called NP here). Method properties investigated are: desolvation temperature (°C) and spray voltage (V) of the electrospray ionization source, and the development of an acetone system rinse to prevent any residual contamination between sample injections. Details are given on why it is essential to investigate method optimization with changes shown in MS/MS analysis in addition to MS results. Trends in MS/MS analytic results reveal important relationships between baseline and aged materials. In addition to verification of previously proposed fragments, insights offered by this newly developed methodology will also identify new degradation products and shed light on the complexity of NP degradation chemistry.

36 MATERIALS SCIENCE↗

Do Remote Camera Arrangements and Image Capture Settings Improve Individual Identification of Golden Eagles?

Individual identification of animals from camera traps has become an important task in wildlife research, but camera deployment methods often do not facilitate this important undertaking. Identification of individual golden eagles (Aquila chrysaetos) is possible using uniquely marked rectrices, but no studies have explored methods to maximize the rate of individual identification from camera images. Furthermore, our objectives were to assess whether different camera heights (1 m vs. 3 m), image capture settings (one image after a 1-min delay vs. burst of 5 images after a 30 sec delay), and arrangements relative to bait (dorsally vs. ventrally aimed) affected views of rectrices on golden eagles and our ability to identify individuals. We conducted our study from 15 December 2016 to 3 March 2017 on the Savannah River Site, South Carolina. First, we developed a scoring system based on views of rectrices and used a linear mixed-effects model to compare image scores among different camera arrangements and image settings. Next, after identifying individual eagles, we used generalized linear mixed-effects models to compare total individual eagle detections, total days an individual was detected, and probability of obtaining an unknown individual identification among camera arrangements and settings. Overall, we scored a total of 27,499 images, with 8,083 providing views of marked rectrices that allowed identification of 18 individual eagles. Average image scores and proportion of images suitable for individual identification were higher from elevated (3 m) camera arrangements than standard arrangements (1 m) across sites. Regardless of camera height, faster frequency of image capture provided more images that could be used to identify individuals and the most trap days per individual. Researchers and managers should consider deploying elevated cameras traps with faster frequency of image capture to improve data quality and potential for analysis of golden eagle populations and trends across the species’ range.

60 APPLIED LIFE SCIENCES↗

Image Processing Pipeline for Fluoroelastomer Crystallite Detection in Atomic Force Microscopy Images

Phase transformations in materials systems can be tracked using atomic force microscopy (AFM), enabling the examination of surface properties and macroscale morphologies. In situ measurements investigating phase transformations generate large datasets of time-lapse image sequences. The interpretation of the resulting image sequences, guided by domain-knowledge, requires manual image processing using handcrafted masks. Here this approach is time-consuming and restricts the number of images that can be processed. Her in this study, we developed an automated image processing pipeline which integrates image detection and segmentation methods. We examine five time-series AFM videos of various fluoroelastomer phase transformations. The number of image sequences per video ranges from a hundred to a thousand image sequences. The resulting image processing pipeline aims to automatically classify and analyze images to enable batch processing. Using this pipeline, the growth of each individual fluoroelastomer crystallite can be tracked through time. We incorporated statistical analysis into the pipeline to investigate trends in phase transformations between different fluoroelastomer batches. Understanding these phase transformations is crucial, as it can provide valuable insights into manufacturing processes, improve product quality, and possibly lead to the development of more advanced fluoroelastomer formulations.

36 MATERIALS SCIENCE↗

Database-wide hazard modelling of the onset of DIII-D tearing modes with field features

The rate of onset (hazard) of tearing modes is modelled probabilistically using statistical learning algorithms. Axisymmetric energy-density equilibrium fields are taken as raw high-dimensional input features which are reduced with principal component analysis. Signal processing of non-axisymmetric magnetics fluctuation array data provides the target information from which to learn. Model selection, visualization and calibration assessment procedures are detailed. Here, the analysis is deployed at large scale across the DIII-D tokamak database. Standard model selection criteria suggest that the energy-density post-processed feature is a better choice for modelling the onset rate compared to the non-processed equilibrium reconstruction solution. Two example applications of the learned rate function are demonstrated: (i) proximity-to-onset discharge monitoring and (ii) database analysis showing an (expected) observational global trend that the general hazard increases as a plasma performance metric increases. An important connection between the hazard function and its use as a conditional probability generator is reviewed in the Appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effects of B 2 O 3 on the Growth, Structural, and Magneto-Optical Properties of Yttrium Iron Garnet Single-Crystal Fibers

This study explores the fabrication of yttrium iron garnet (YIG) single crystal fibers using the laser heated pedestal growth (LHPG) method with the experimental addition of B 2 O 3 . The incorporation of B 2 O 3 facilitates the fiber fabrication process by lowering the required growth temperatures and likely modifying melt viscosity behavior, consistent with the established fluxing behavior of B2O3 and the comparative viscosity trend observed in the TMA−VFT analysis, thereby improving process efficiency while maintaining fiber quality. Structural characterization using EBSD and SC-XRD reveals a transition from polycrystalline to single-crystal behavior, with improved alignment along the [111] direction without altering the garnet structure. Magnetic measurements show increases in saturation magnetization in B 2 O 3 -assisted fibers. Three-dimensional anisotropy energy modeling, based on EBSD-derived Euler angles, indicates that the enhanced crystallinity and orientation contribute to reorientation of MCA energy distribution due to improved crystallographic alignment. Faraday rotation measurements show that the B 2 O 3 -assisted sample exhibits a rotation angle closer to reported values for high-quality YIG, suggesting improved phase purity and crystallographic quality. These findings demonstrate that B 2 O 3 -assisted LHPG growth is a scalable and nontoxic approach to producing high-performance YIG fibers for integrated photonic and magnetic field sensing applications.

Crystal structure↗

Synthesis and Computational Analysis of Uranium(III)-Pnictogen Bonds

In this report, we describe the synthesis and characterization of two novel complexes that contain uranium(III)-pnictogen (P: 1-PMes 2 ; As: 1-AsMes 2 ) bonds to elucidate the degrees of covalency among these bonds. To our knowledge, this is the first reported uranium(III)-arsenic complex to be synthesized and characterized. Analysis of the phosphorus and arsenic bonds reveals a similar electronic environment, assessed by UV–vis NIR, that is comparable to other previously reported uranium(III) complexes. A computational analysis of these compounds and their congeners, N, Sb, and Bi, was performed to identify trends in the overall bonding character of the complexes. This analysis shows that bond covalency decreases as the pnictogen becomes heavier and that overall the interaction energy and its components decrease down the group. Here, this study provides an in-depth analysis and understanding of the nature of bonding between hard actinide and soft pnictogen centers.

Actinides↗

Chemical bonding in actinyl( V / VI ) dipyriamethyrin complexes for the actinide series from americium to californium: a computational investigation

The separation of minor actinides in their dioxocation (i.e., actinyl) form in high-valence oxidation states requires efficient ligands for their complexation. Here, in this work, we evaluate the complexation properties of actinyls including americyl, curyl, berkelyl, and californyl in their pentavalent and hexavalent oxidation states with the dipyriamethyrin ligand (L) using density functional theory calculations. The calculated bond parameters show shorter An&#x2550O yl bonds with covalent character and longer An–N bonds with ionic character. The bonding between the actinyl cation and the ligand anion shows a flow of charges from the ligand to actinyl in all [An V/VI O 2 –L] 1–/0 complexes. However, across the series, backdonation of charges from the metal to the ligand becomes prominent and stabilizes the complexes. The thermodynamic parameters in the gas phase and solution suggest that the complex formation reaction is spontaneous for [Cf V/VI O 2 –L] 1–/0 complexes and spontaneous at elevated temperatures (>298.15 K) for all other complexes. Spin–orbit corrections have a quantitative impact while the overall trend remains the same. Energy decomposition analysis (EDA) reveals that the interaction between actinyl and the ligand is mainly due to electrostatic contributions that decrease from Am to Cf along with an increase in orbital contributions due to the backdonation of charges from the actinyl metal center to the ligand that greatly stabilizes the Cf complex. The repulsive Pauli energy contribution is observed to increase in the case of [An V O 2 –L] 1– complexes from Am to Cf while a decrease is observed among [An VI O 2 –L] 0 complexes, showing minimum repulsion in [Cf VI O 2 –L] 0 complex formation. Overall, the hexavalent actinyl complexes show greater stability (increasing from Am to Cf) than their pentavalent counterparts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Critical Review of Heliostat Design for Concentrating Solar Thermal Technologies

Heliostat designs have undergone a widespread and eclectic development process, with many unique designs demonstrated. However, recent developments do not show the overall cohort converging toward a globally accepted universal design. Here, this study characterizes heliostats by breaking down and evaluating design traits based on emergent patterns from a comprehensive compilation of known heliostat designs spanning several decades. Four main categories for evaluation emerged: heliostat base, heliostat primary axis, heliostat drive, and facet support. Each of these four categories is further defined by four subtypes so that all heliostats fall into a single subtype within each category. The classified heliostats are ranked, yielding several view slices into the heliostat compilation or a breakdown of heliostats by type. An analysis of the breakdown shows several trends: a scale-up of established designs, new approaches at small to medium scales, and a movement toward greater adoption of linear drives. These trends reflect the most meaningful contributing factors to a proposed trajectory for a new era of heliostat designs striving to meet widely considered cost targets of $\$$50/m 2 or $\$$75/m 2 .

14 SOLAR ENERGY↗

Estimating the Diffusion Coefficient of Lithium in Graphite: Extremely Fast Charging and a Comparison of Data Analysis Techniques

Galvanostatic intermittent titration experiments were performed in three-electrode cells to characterize the effect of C/2, 2-C and 4-C charge rates on the observed lithium diffusion coefficient. As part of the data analysis process, we compared the classic Weppner-Huggins analysis of polarization data with a newer (Wang et al.) analysis method for depolarization data. At low values of x in Li x C 6 , both analysis methods showed the same general trend in the apparent lithium diffusion coefficient, 4-C > 2-C > C/2. The two techniques differed in the magnitude of the estimated diffusion coefficient by about a factor of 100. The observed increase in diffusion coefficient does not last over a large compositional range. Since the estimates from the method of Weppner and Huggins may contain artifacts due to the use of particulate electrodes and high charge rates, the method of Wang et al. may produce better values.

25 ENERGY STORAGE↗

Daily, 30 m Resolution NDSI Data for the East River Watershed, CO for 2000-2020

This dataset contains daily Normalized Difference Snow Index (NDSI) values at 30 m spatial resolution for the East River watershed in Colorado, USA. The temporal range of these data includes water years 2001-2020. These data were created using the Spatial and Temporal Adaptive Reflectance Fusion Model (STARFM). This model fuses low spatial and high temporal resolution data from MODIS (500 m, daily) with high spatial and low temporal resolution data from Landsat (30 m, 16 days) to create a 30m synthetic daily snow product. This product allows for the analysis of historical snow covered area trends in the East River Watershed at fine spatiotemporal resolutions where it was not available previously. This research was performed as a part of the Department of Energy’s Subsurface Biogeochemical Research Program with the primary intent of better understanding the timing and spatial patterns of water delivery to the Critical Zone in mountain watersheds. Each .zip file contains one "water year" of data (October 1 - September 30; i.e., water year 2010 starts October 1, 2010 and ends September 30, 2011). Each zip file contains the following: STARFM daily Normalized Difference Snow Index (NDSI) fusion data files in GeoTiff format with one layer for each day between Landsat data acquisition dates (i.e., for dates of Landsat acquisition, the Landsat image is included for that date). The study area is located in an area of Landsat path overlap, so Landsat dates acquisitions are every 7-9 days. Landsat NDSI files containing the high spatial (30m), low temporal (7-9 days due to Landsat path overlap) resolution data used as input to STARFM in GeoTiff format with one layer for each day. Dates for which no Landsat data were obtained are included as NoData layers. MODIS NDSI files containing the high temporal (daily), low spatial (500m) resolution data used as input to STARFM in GeoTiff format with one layer for each day. Please note the MODIS data were resampled to 30m pixels for input into the STARFM model. The data have a scale factor of 10,000 and a no data value of -32767. The projection of all datasets is WGS 84 (EPSG: 4326), which has a latitude/longitude based degree resolution of 0.0002694946 X 0.0002694946, and approximates to the 30 m spatial resolution mentioned above. The Layer Index files in .csv format. They contain information for each layer in the above GeoTiff files regarding the corresponding date for each layer, the fraction of pixels in the image that contain valid data (missing data is due to either cloud cover or poor data quality; these values are not percent snow cover). Dates of Landsat overpass are indicated in these files. If no Landsat data were able to be obtained due to cloud cover or lack of Landsat Tier 1 data available on Google Earth Engine, this is also noted.

EARTH SCIENCE > CRYOSPHERE > SNOW/ICE↗

Distributed Wind Market Report: 2021 Edition

The U.S. Department of Energy’s annual Distributed Wind Market Report provides stakeholders with market statistics and analysis along with insights into market trends and characteristics. By providing a comprehensive overview of the distributed wind market, this report can help guide future investments and decisions by industry, utilities, federal and state agencies, and other interested parties. This report provides key information to help stakeholders understand and access market opportunities and inform distributed wind industry research and development needs.

17 WIND ENERGY↗

Distributed Wind Market Report: 2022 Edition

The U.S. Department of Energy’s (DOE’s) annual Distributed Wind Market Report analyzes distributed wind projects of all sizes to provide stakeholders with market statistics and analysis along with insights into market trends and characteristics. By providing a comprehensive overview of the distributed wind market, this report can help guide future investments and decisions by industry, utilities, federal and state agencies, and other interested parties. This report provides key information to help stakeholders understand and access market opportunities and inform distributed wind industry research and development needs.

17 WIND ENERGY↗

Distributed Wind Market Report: 2024 Edition

The annual Distributed Wind Market Report provides stakeholders with market statistics and analysis along with insights into market trends and characteristics for wind technologies used as distributed energy resources. This report presents the distributed wind market from 2003 through 2023. Key findings with respect to installed capacity, deployment trends, customer types, incentives, policies, installed costs and performance, and the future outlook are presented.

17 WIND ENERGY↗