Search NASA⌕ Search

SEARCH · Search NASA

Results for “cluster characterization”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Cluster characterization in atom probe tomography: Machine learning using multiple summary functions

In this work, we develop a machine learning-based method to characterize intracluster concentration (ρ c ), background concentration (ρ b ), clustering radius (r̄), and radius dispersity (δ r ) in simulated atom probe tomography data using multiple spatial statistics summary functions to train a Bayesian regularized neural network. Here, we build upon previous work that utilized Ripley’s K-function by incorporating additional features from nearest-neighbor spatial statistics summary functions to better characterize concentration-based metrics. The addition of nearest-neighbor based features allows for highly accurate estimates of ρ c and ρ b , both with 90% of the predictions within 4.0% of the real value; the root-mean-square errors are reduced by 81.5% and 92.8% from predictions using only K-function based features, respectively. Additionally, including these nearest-neighbor based features improves the ability to differentiate between r̄ and δ r .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Recent Advances on Computational Modeling of Supported Single-Atom and Cluster Catalysts: Characterization, Catalyst–Support Interaction, and Active Site Heterogeneity

To satisfy the need for catalyst materials with high activity, selectivity, and stability for energy conversion, material design and discovery guided by theoretical insights are a necessity. In the past decades, the rise in theoretical investigations into the properties of catalyst materials, reaction mechanisms, and catalyst design principles has shed light on the catalysis field. Quantitative structure–activity relationships have been developed through incorporating spectroscopic simulations, electronic structure calculations, and reaction mechanistic studies. Here, in this review, we report the state-of-the-art computational approaches to catalyst materials characterization for supported single-atom and cluster catalysts utilizing spectroscopic simulations, i.e., XANES simulation, and material properties investigation via electronic-structure calculations. Furthermore, approaches regarding reaction mechanisms, focusing on active site heterogeneity, are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Near-Field Acoustical Characterization of Clustered Rocket Engines

This paper presents an approach for the prediction and characterization of the near-field acoustic levels from closely-spaced clustered rocket engines. The calculations are based on the method proposed by Eldred, wherein the flowfield from the clustered rockets is divided into two zones. Zone 1 contains the isolated nozzles which produce noise independently, and extends up to a distance where the individual flows completely mix to form an equivalent single nozzle flow. Zone 2 is occupied by the single mixed stream starting from the station where the jets merge. The acoustic fields from the two zones are computed separately on the basis of the NASA-SP method of Eldred developed for a single equivalent nozzle. A summation of the spectra for the two zones yields the total effective sound pressure level for the clustered engines. Under certain conditions of nozzle spacing and flow parameters, the combined sound pressure level spectrum for the clustered nozzles displays a double peak. Test cases are presented here to demonstrate the importance of hydrodynamic interactions responsible for the double peak in the sound spectrum in the case of clustered rocket nozzles, and the role of ground reflections in the case of non-interfering jets. A graphics interface (Rocket Acoustic Prediction Tool) has been developed to take into account the effects of clustered nozzles and ground reflections.

Kandula, Max↗
NASA NTRS2003

Spatial Analysis of Great Lakes Regional Icing Cloud Liquid Water Content

Abstract Clustering of cloud microphysical conditions, such as liquid water content (LWC) and drop size, can affect the rate and shape of ice accretion and the airworthiness of aircraft. Clustering may also degrade the accuracy of cloud LWC measurements from radars and microwave radiometers being developed by the government for remotely mapping icing conditions ahead of aircraft in flight. This paper evaluates spatial clustering of LWC in icing clouds using measurements collected during NASA research flights in the Great Lakes region. We used graphical and analytical approaches to describe clustering. The analytical approach involves determining the average size of clusters and computing a clustering intensity parameter. We analyzed flight data composed of 1-s-frequency LWC measurements for 12 periods ranging from 17.4 minutes (73 km) to 45.3 minutes (190 km) in duration. Graphically some flight segments showed evidence of consistency with regard to clustering patterns. Cluster intensity varied from 0.06, indicating little clustering, to a high of 2.42. Cluster lengths ranged from 0.1 minutes (0.6 km) to 4.1 minutes (17.3 km). Additional analyses will allow us to determine if clustering climatologies can be developed to characterize cluster conditions by region, time period, or weather condition. Introduction

Ryerson, Charles C.↗
NASA NTRS2020

An Algorithm for Characterization of Fiber Aggregation in Composite Microstructures

Composite structures are susceptible to localized flaws, or variability, that drive global failure. To capture this variance, a multiscale model needs to be introduced that not only accurately represents the statistical nature of the composite microstructure but is also efficient. At the microscale, fiber aggregation creates local stress concentrations, where failure is likely to occur sooner than expected. A method of rapid microstructure generation, in conjunction with cluster characterization, is examined to develop accurate reproductions of 2D composite cross-sections. Parameterization of shape and size of fiber clusters is used to characterize representative volume elements. The discrete element method is used to generate pseudo-microstructures. The clustering parameters from the pseudo- and actual microstructure arrangements (obtained from micrographs) can be compared to determine the validity of the representative volume element generated with the discrete element method. Results show a promising approach to evaluating randomness of fiber distributions and how to accurately recreate microstructures for strength analysis.

Carbon fiber↗
NASA NTRS1991

Classification of posture maintenance data with fuzzy clustering algorithms

Sensory inputs from the visual, vestibular, and proprioreceptive systems are integrated by the central nervous system to maintain postural equilibrium. Sustained exposure to microgravity causes neurosensory adaptation during spaceflight, which results in decreased postural stability until readaptation occurs upon return to the terrestrial environment. Data which simulate sensory inputs under various conditions were collected in conjunction with JSC postural control studies using a Tilt-Translation Device (TTD). The University of West Florida proposed applying the Fuzzy C-Means Clustering (FCM) Algorithms to this data with a view towards identifying various states and stages. Data supplied by NASA/JSC were submitted to the FCM algorithms in an attempt to identify and characterize cluster substructure in a mixed ensemble of pre- and post-adaptational TTD data. Following several unsuccessful trials with FCM using a full 11 dimensional data set, a set of two channels (features) were found to enable FCM to separate pre- from post-adaptational TTD data. The main conclusions are that: (1) FCM seems able to separate pre- from post-TTD subject no. 2 on the one trial that was used, but only in certain subintervals of time; and (2) Channels 2 (right rear transducer force) and 8 (hip sway bar) contain better discrimination information than other supersets and combinations of the data that were tried so far.

Bezdek, James C.↗
DOE OSTI2022

A computational study of Al n - and Al n -1 1Pt - clusters: the effects of doping and a uniform tuning gauge for single-atom nanocatalysts

Results of density functional theory calculations on Al n - and Al n -1 1Pt - , n = 2-8, clusters are presented and analyzed. The analysis includes different structural forms of the clusters characterized in terms of binding energy, spin and symmetry, and a comparative evaluation of various properties of the two systems viewed as connected through a single-Pt substitutional doping and examined in terms of their respective most stable structures. Furthermore, the Al n -1 1Pt - clusters are then used as a paradigmatic (model) case of single-atom nanocatalysts, with Pt as the catalytic center and Al n-1 as its support, to implement a uniform descriptor for gauging the tuning effects of all the parameters ( "knobs ") of a nanocatalyst that include the identity of the active center and the material and size of its support.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Reducing the Volume of NASA Earth-Science Data

A computer program reduces data generated by NASA Earth-science missions into representative clusters characterized by centroids and membership information, thereby reducing the large volume of data to a level more amenable to analysis. The program effects an autonomous data-reduction/clustering process to produce a representative distribution and joint relationships of the data, without assuming a specific type of distribution and relationship and without resorting to domain-specific knowledge about the data. The program implements a combination of a data-reduction algorithm known as the entropy-constrained vector quantization (ECVQ) and an optimization algorithm known as the differential evolution (DE). The combination of algorithms generates the Pareto front of clustering solutions that presents the compromise between the quality of the reduced data and the degree of reduction. Similar prior data-reduction computer programs utilize only a clustering algorithm, the parameters of which are tuned manually by users. In the present program, autonomous optimization of the parameters by means of the DE supplants the manual tuning of the parameters. Thus, the program determines the best set of clustering solutions without human intervention.

Lee, Seungwon↗
NASA NTRS1989

NASA-UVA light aerospace alloy and structures technology program

The report on progress achieved in accomplishing of the NASA-UVA Light Aerospace Alloy and Structures Technology Program is presented. The objective is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys and associated thermal gradient structures in close collaboration with researchers. The efforts will produce basic understanding of material behavior, new monolithic and composite alloys, processing methods, solid and fluid mechanics analyses, measurement advances, and a pool of educated graduate students. The presented accomplishments include: research on corrosion fatigue of Al-Li-Cu alloy 2090; research on the strengthening effect of small In additions to Al-Li-Cu alloys; research on localized corrosion of Al-Li alloys; research on stress corrosion cracking of Al-Li-Cu alloys; research on fiber-matrix reaction studies (Ti-1100 and Ti-15-3 matrices containing SCS-6, SCS-9, and SCS-10 fibers); and research on methods for quantifying non-random particle distribution in materials that has led to generation of a set of computer programs that can detect and characterize clusters in particles.

Gangloff, Richard P.↗
NASA NTRS1996

Automated clustering-based workload characterization

The demands placed on the mass storage systems at various federal agencies and national laboratories are continuously increasing in intensity. This forces system managers to constantly monitor the system, evaluate the demand placed on it, and tune it appropriately using either heuristics based on experience or analytic models. Performance models require an accurate workload characterization. This can be a laborious and time consuming process. It became evident from our experience that a tool is necessary to automate the workload characterization process. This paper presents the design and discusses the implementation of a tool for workload characterization of mass storage systems. The main features of the tool discussed here are: (1)Automatic support for peak-period determination. Histograms of system activity are generated and presented to the user for peak-period determination; (2) Automatic clustering analysis. The data collected from the mass storage system logs is clustered using clustering algorithms and tightness measures to limit the number of generated clusters; (3) Reporting of varied file statistics. The tool computes several statistics on file sizes such as average, standard deviation, minimum, maximum, frequency, as well as average transfer time. These statistics are given on a per cluster basis; (4) Portability. The tool can easily be used to characterize the workload in mass storage systems of different vendors. The user needs to specify through a simple log description language how the a specific log should be interpreted. The rest of this paper is organized as follows. Section two presents basic concepts in workload characterization as they apply to mass storage systems. Section three describes clustering algorithms and tightness measures. The following section presents the architecture of the tool. Section five presents some results of workload characterization using the tool.Finally, section six presents some concluding remarks.

Pentakalos, Odysseas I.↗
DOE OSTI2024

Radiation-Hard Smart-Pixel Detector ASIC ReadOut with Digital AI in 28nm

Detectors at future high energy colliders will face enormous technical challenges. Disentangling the unprecedented numbers of particles expected in each event will require highly granular silicon pixel detectors with billions of readout channels. With event rates as high as 40 MHz, these detectors will generate petabytes of data per second. To enable discovery within strict bandwidth and latency constraints, future trackers must be capable of fast, power efficient, and radiation hard data-reduction at the source. This effort is pursuing the co-design development of high-performance readout smart pixel ASICs for a future Phase III High Luminosity upgrade of the Large Hadron Collider. A 1.6mm2 ASIC prototype was designed by Fermilab in CMOS 28 nm bulk process and submitted for manufacturing in February 2024. It leverages the analog front-end pixel design of a previous prototype fabricated and tested in 2023, which achieved a simulated detection level of ~400e- with 30fF input capacitance. The ROIC consists of two matrices of 16×16 smart pixels, each 25×25 μm2 in size. Each smart pixel contains a charge-sensitive preamplifier with leakage current compensation and three auto-zero comparators for a 2-bit flash-type ADC. There is digital space for the integration of our fully combinatorial AI that performs momentum classification at the bunch crossing rate. The total power consumption is ∼6μW per pixel, which corresponds to ~1mW/cm2. The ASIC incorporates programmable front-end charge injection circuitry to generate pixel cluster charges during characterization. The cluster profile will be generated to duplicate hit characteristics of various momentum (pT). We will present early results from chip testing.

Parpillon, Benjamin↗
DOE OSTI2023

Magic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion

The stability and distributions of small water clusters generated in a supersonic beam expansion are interrogated by tunable vacuum ultraviolet (VUV) radiation generated at a synchrotron. Time-of-flight mass spectrometry reveals enhanced population of various protonated water clusters (H + (H 2 O) $n$ ) based upon ionization energy and photoionization distance from source, suggesting there are "magic" numbers below the traditional $n$ = 21 that predominates in the literature. These intensity distributions suggest that VUV threshold photoionization (11.0-11.5 eV) of neutral water clusters close to the nozzle exit leads to a different nonequilibrium state compared to a skimmed molecular beam. This results in the appearance of a new magic number at 14. Metadynamics conformer searches coupled with modern density functional calculations are used to identify the global minimum energy structures of protonated water clusters between $n$ = 2 and 21, as well as the manifold of low-lying metastable minima. New lowest energy structures are reported for the cases of $n$ = 5, 6, 11, 12, 16, and 18, and special stability is identified by several measures. These theoretical results are in agreement with the experiments performed in this work in that $n$ = 14 is shown to exhibit additional stability, based on the computed second-order stabilization energy relative to most cluster sizes, though not to the extent of the well-known $n$ = 21 cluster. Other cluster sizes that show some additional energetic stability are $n$ = 7, 9, 12, 17, and 19. To gain insight into the balance between ion-water and water-water interactions as a function of the cluster size, an analysis of the effective two-body interactions (which sum exactly to the total interaction energy) was performed. In conclusion, this analysis reveals a crossover as a function of cluster size between a water-hydronium-dominated regime for small clusters and a water-water-dominated regime for larger clusters around $n$ = 17.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Fusion Model for Metagenomics

This work highlights the use of an embeddings approach that can encode multiple features and create efficient contextualization of profiled metagenomes derived from microbiome samples using computer vision models and image representations of the abundance profiles. The model's embeddings can be used to cluster existing samples based on multiple conditions and interpretations, and new embeddings can be quickly created for new samples and fitted to existing clusters to characterize them. This has practical applications for unknown, unlabeled microbiome samples. The model's embeddings can be used to cluster existing samples based on multiple conditions and interpretations, and new embeddings can be quickly created for new samples and fitted to existing clusters to characterize them. This has practical applications for unknown, unlabeled microbiome samples.

Valdes, CamiloA [Lawrence Livermore National Labor↗
DOE OSTI2024

Global characterization of biosynthetic gene clusters in non-model eukaryotes using domain architectures

Abstract The majority of pharmaceuticals are derived from natural products, bioactive compounds naturally synthesized by organisms to provide evolutionary advantages. Although the rich evolutionary history of eukaryotic algal species implicates a high potential for natural product-based drug discovery, it remains largely untouched. This study investigates 2762 putative biosynthetic gene clusters (BGCs) from 212 eukaryotic algal genomes. To analyze a vast set of structurally diverse BGCs, we employed comparative analysis based on the vectorization of biosynthetic domains, referred to as biosynthetic domain architecture (BDA). By characterizing core biosynthetic machineries through BDA, we identified key BDAs of modular BGCs in diverse eukaryotes and introduced 16 candidate modular BGCs with similar BDAs to previously validated BGCs. This study provides a global characterization of eukaryotic algal BGCs, offering an alternative to laborious manual curation for BGC prioritization.

59 BASIC BIOLOGICAL SCIENCES↗