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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Optical Classification of Lower Amazon Waters Based on In Situ Data and Sentinel-3 Ocean and Land Color Instrument Imagery

Optical water types (OWTs) were identified from an in situ dataset of concomitant biogeochemical and optical parameters acquired in the Amazon River and its tributaries, in the Lower Amazon region, at different hydrological conditions from 2014 to 2017. A seasonal bio-optical characterization was performed. The k-means classification was applied to the in situ normalized reflectance spectra (rn(λ)), allowing the identification of four OWTs. An optical index method was also applied to the rn(λ) defining the thresholds of the OWTs. Next, level-3 Sentinel-3 Ocean and Land Color Instrument images representative of the seasonal discharge conditions were classified using the identified in situ OWTs as reference. The differences between Amazon River and clearwater tributary OWTs were dependent on the hydrological dynamics of the Amazon River, also showing a strong seasonal variability. Each OWT was associated with a specific bio-optical and biogeochemical environment assessed from the corresponding absorption coefficient values of colored dissolved organic matter (aCDOM) and particulate matter (ap), chlorophyll-a and suspended particulate matter (SPM) concentrations, and aCDOM/ap ratio. The rising water season presented a unique OWT with high SPM concentration and high relative contribution of ap to total absorption compared to the other OWTs. This bio-optical characterization of Lower Amazon River waters represents a first step for developing remote sensing inversion models adjusted to the optical complexity of this region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Improving Medication Regimen Recommendation for Parkinson’s Disease Using Sensor Technology

Parkinson’s disease medication treatment planning is generally based on subjective data obtained through clinical, physician-patient interactions. The Personal KinetiGraph™ (PKG) and similar wearable sensors have shown promise in enabling objective, continuous remote health monitoring for Parkinson’s patients. In this proof-of-concept study, we propose to use objective sensor data from the PKG and apply machine learning to cluster patients based on levodopa regimens and response. The resulting clusters are then used to enhance treatment planning by providing improved initial treatment estimates to supplement a physician’s initial assessment. We apply k-means clustering to a dataset of within-subject Parkinson’s medication changes—clinically assessed by the MDS-Unified Parkinson’s Disease Rating Scale-III (MDS-UPDRS-III) and the PKG sensor for movement staging. A random forest classification model was then used to predict patients’ cluster allocation based on their respective demographic information, MDS-UPDRS-III scores, and PKG time-series data. Clinically relevant clusters were partitioned by levodopa dose, medication administration frequency, and total levodopa equivalent daily dose—with the PKG providing similar symptomatic assessments to physician MDS-UPDRS-III scores. A random forest classifier trained on demographic information, MDS-UPDRS-III scores, and PKG time-series data was able to accurately classify subjects of the two most demographically similar clusters with an accuracy of 86.9%, an F1 score of 90.7%, and an AUC of 0.871. A model that relied solely on demographic information and PKG time-series data provided the next best performance with an accuracy of 83.8%, an F1 score of 88.5%, and an AUC of 0.831, hence further enabling fully remote assessments. These computational methods demonstrate the feasibility of using sensor-based data to cluster patients based on their medication responses with further potential to assist with medication recommendations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Integrated Land Suitability Assessment for Depots Siting in a Sustainable Biomass Supply Chain

A sustainable biomass supply chain would require not only an effective and fluid transportation system with a reduced carbon footprint and costs, but also good soil characteristics ensuring durable biomass feedstock presence. Unlike existing approaches that fail to account for ecological factors, this work integrates ecological as well as economic factors for developing sustainable supply chain development. For feedstock to be sustainably supplied, it necessitates adequate environmental conditions, which need to be captured in supply chain analysis. Using geospatial data and heuristics, we present an integrated framework that models biomass production suitability, capturing the economic aspect via transportation network analysis and the environmental aspect via ecological indicators. Production suitability is estimated using scores, considering both ecological factors and road transportation networks. These factors include land cover/crop rotation, slope, soil properties (productivity, soil texture, and erodibility factor) and water availability. This scoring determines the spatial distribution of depots with priority to fields scoring the highest. Two methods for depot selection are presented using graph theory and a clustering algorithm to benefit from contextualized insights from both and potentially gain a more comprehensive understanding of biomass supply chain designs. Graph theory, via the clustering coefficient, helps determine dense areas in the network and indicate the most appropriate location for a depot. Clustering algorithm, via K-means, helps form clusters and determine the depot location at the center of these clusters. An application of this innovative concept is performed on a case study in the US South Atlantic, in the Piedmont region, determining distance traveled and depot locations, with implications on supply chain design. The findings from this study show that a more decentralized depot-based supply chain design with 3depots, obtained using the graph theory method, can be more economical and environmentally friendly compared to a design obtained from the clustering algorithm method with 2 depots. In the former, the distance from fields to depots totals 801,031,476 miles, while in the latter, it adds up to 1,037,606,072 miles, which represents about 30% more distance covered for feedstock transportation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Unsupervised Machine Learning for Exploratory Data Analysis of Exoplanet Transmission Spectra

Abstract Transit spectroscopy is a powerful tool for decoding the chemical compositions of the atmospheres of extrasolar planets. In this paper, we focus on unsupervised techniques for analyzing spectral data from transiting exoplanets. After cleaning and validating the data, we demonstrate methods for: (i) initial exploratory data analysis, based on summary statistics (estimates of location and variability); (ii) exploring and quantifying the existing correlations in the data; (iii) preprocessing and linearly transforming the data to its principal components; (iv) dimensionality reduction and manifold learning; (v) clustering and anomaly detection; and (vi) visualization and interpretation of the data. To illustrate the proposed unsupervised methodology, we use a well-known public benchmark data set of synthetic transit spectra. We show that there is a high degree of correlation in the spectral data, which calls for appropriate low-dimensional representations. We explore a number of different techniques for such dimensionality reduction and identify several suitable options in terms of summary statistics, principal components, etc. We uncover interesting structures in the principal component basis, namely well-defined branches corresponding to different chemical regimes of the underlying atmospheres. We demonstrate that those branches can be successfully recovered with a K-means clustering algorithm in a fully unsupervised fashion. We advocate for lower-dimensional representations of the spectroscopic data in terms of the main principal components, in order to reveal the existing structure in the data and quickly characterize the chemical class of a planet.

Matchev, Konstantin T. (ORCID:0000000341829096)↗
DOE OSTI2023

A full year of aerosol size distribution data from the central Arctic under an extreme positive Arctic Oscillation: insights from the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition

Abstract. The Arctic environment is rapidly changing due to accelerated warming in the region. The warming trend is driving a decline in sea ice extent, which thereby enhances feedback loops in the surface energy budget in the Arctic. Arctic aerosols play an important role in the radiative balance and hence the climate response in the region, yet direct observations of aerosols over the Arctic Ocean are limited. In this study, we investigate the annual cycle in the aerosol particle number size distribution (PNSD), particle number concentration (PNC), and black carbon (BC) mass concentration in the central Arctic during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. This is the first continuous, year-long data set of aerosol PNSD ever collected over the sea ice in the central Arctic Ocean. We use a k-means cluster analysis, FLEXPART simulations, and inverse modeling to evaluate seasonal patterns and the influence of different source regions on the Arctic aerosol population. Furthermore, we compare the aerosol observations to land-based sites across the Arctic, using both long-term measurements and observations during the year of the MOSAiC expedition (2019–2020), to investigate interannual variability and to give context to the aerosol characteristics from within the central Arctic. Our analysis identifies that, overall, the central Arctic exhibits typical seasonal patterns of aerosols, including anthropogenic influence from Arctic haze in winter and secondary aerosol processes in summer. The seasonal pattern corresponds to the global radiation, surface air temperature, and timing of sea ice melting/freezing, which drive changes in transport patterns and secondary aerosol processes. In winter, the Norilsk region in Russia/Siberia was the dominant source of Arctic haze signals in the PNSD and BC observations, which contributed to higher accumulation-mode PNC and BC mass concentrations in the central Arctic than at land-based observatories. We also show that the wintertime Arctic Oscillation (AO) phenomenon, which was reported to achieve a record-breaking positive phase during January–March 2020, explains the unusual timing and magnitude of Arctic haze across the Arctic region compared to longer-term observations. In summer, the aerosol PNCs of the nucleation and Aitken modes are enhanced; however, concentrations were notably lower in the central Arctic over the ice pack than at land-based sites further south. The analysis presented herein provides a current snapshot of Arctic aerosol processes in an environment that is characterized by rapid changes, which will be crucial for improving climate model predictions, understanding linkages between different environmental processes, and investigating the impacts of climate change in future Arctic aerosol studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Chemical properties and single-particle mixing state of soot aerosol in Houston during the TRACER campaign

Abstract. A high-resolution soot particle aerosol mass spectrometer (SP-AMS) was used to selectively measure refractory black carbon (rBC) and its associated coating material using both the ensemble size-resolved mass spectral mode and the event trigger single particle (ETSP) mode in Houston, Texas, in summer 2022. This study was conducted as part of the Department of Energy Atmospheric Radiation Measurement (ARM) program's TRacking Aerosol Convection interactions ExpeRiment (TRACER) field campaign. The study revealed an average (±1σ) rBC concentration of 103 ± 176 ng m−3. Additionally, the coatings on the BC particles were primarily composed of organics (59 %; 219 ± 260 ng m−3) and sulfate (26 %; 94 ± 55 ng m−3). Positive matrix factorization (PMF) analysis of the ensemble mass spectra of BC-containing particles resolved four distinct types of soot aerosol, including an oxidized organic aerosol (OOABC,PMF) factor associated with processed primary organic aerosol, an inorganic sulfate factor (SO4,BC,PMF), an oxidized rBC factor (O-BCPMF), and a mixed mineral dust–biomass burning aerosol factor with significant contribution from potassium (K-BBBC,PMF). Additionally, K-means clustering analysis of the single-particle mass spectra identified eight different clusters, including soot particles enriched in hydrocarbon-like organic aerosol (HOABC,ETSP), sulfate (SO4,BC,ETSP), two types of rBC, OOA (OOABC,ETSP), chloride (ClBC,ETSP), and nitrate (NO3,BC,ETSP). The single-particle measurements demonstrate substantial variation in BC coating thickness with coating-to-rBC mass ratios ranging from 0.1 to 100. The mixing state index (χ), which denotes the degree of homogeneity of the soot aerosol, varied from 4 % to 94 % with a median of 40 %, indicating that the aerosol population lies in between internal and external mixing but has large temporal and source type variability. In addition, a significant fraction of BC-containing particles, a majority enriched with oxidized organics and sulfate, exhibit sufficiently high κ values and diameters conducive to activation as cloud nuclei under atmospherically relevant supersaturation conditions. This finding bears significance in comprehending the aging processes of rBC-containing particles and their activation into cloud droplets. Our analysis highlights the complex nature of soot aerosol and underscores the need to comprehend its variability across different environments for accurate assessment of climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A bi-level spatiotemporal clustering approach and its application to drought extraction

We present a novel flexible bi-level spatiotemporal clustering algorithm to extract events based on their intensity and spatiotemporal structures. Our algorithm consists of using (i) a novel space-time k-means clustering to obtain spatiotemporally coherent intensity clusters, and (ii) a density-based spatial clustering of applications with noise (DBSCAN) to spatiotemporally section the intensity clusters into individual events. We discuss the development of the algorithm, the selection, tuning and meaning of the parameters within each step, as well as its validation. Finally, we apply the algorithm to a spatiotemporal drought index, standardized vapor pressure deficit drought index (SVDI), over the continental United States (US) from 1980–2021 and show that it captures historical drought events over the continental United States and their spatiotemporal extents.

17 WIND ENERGY↗
DOE OSTI2023

Evaluating precipitation distributions at regional scales: a benchmarking framework and application to CMIP5 and 6 models

Abstract. As the resolution of global Earth system models increases, regional-scale evaluations are becoming ever more important. This study presents a framework for quantifying precipitation distributions at regional scales and applies it to evaluate Coupled Model Intercomparison Project (CMIP) 5 and 6 models. We employ the Intergovernmental Panel on Climate Change (IPCC) sixth assessment report (AR6) climate reference regions over land and propose refinements to the oceanic regions based on the homogeneity of precipitation distribution characteristics. The homogeneous regions are identified as heavy-, moderate-, and light-precipitating areas by K-means clustering of Integrated Multi-satellitE Retrievals for Global Precipitation Measurement (GPM) version 6 final run product (IMERG) precipitation frequency and amount distributions. With the global domain partitioned into 62 regions, including 46 land and 16 ocean regions, we apply 10 established precipitation distribution metrics. The collection includes metrics focused on the maximum peak, lower 10th percentile, and upper 90th percentile in precipitation amount and frequency distributions; the similarity between observed and modeled frequency distributions; an unevenness measure based on cumulative amount; average total intensity on all days with precipitation; and number of precipitating days each year. We apply our framework to 25 CMIP5 and 41 CMIP6 models, as well as six observation-based products of daily precipitation. Our results indicate that many CMIP5 and 6 models substantially overestimate the observed light-precipitation amount and frequency, as well as the number of precipitating days, especially over midlatitude regions outside of some land regions in the Americas and Eurasia. Improvement from CMIP5 to 6 is shown in some regions, especially in midlatitude regions, but it is not evident globally, and over the tropics most metrics point toward degradation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Watershed zonation through hillslope clustering for tractably quantifying above- and below-ground watershed heterogeneity and functions

Abstract. In this study, we develop a watershed zonation approach for characterizing watershed organization and functions in a tractable manner by integrating multiple spatial data layers. We hypothesize that (1) a hillslope is an appropriate unit for capturing the watershed-scale heterogeneity of key bedrock-through-canopy properties and for quantifying the co-variability of these properties representing coupled ecohydrological and biogeochemical interactions, (2) remote sensing data layers and clustering methods can be used to identify watershed hillslope zones having the unique distributions of these properties relative to neighboring parcels, and (3) property suites associated with the identified zones can be used to understand zone-based functions, such as response to early snowmelt or drought and solute exports to the river. We demonstrate this concept using unsupervised clustering methods that synthesize airborne remote sensing data (lidar, hyperspectral, and electromagnetic surveys) along with satellite and streamflow data collected in the East River Watershed, Crested Butte, Colorado, USA. Results show that (1) we can define the scale of hillslopes at which the hillslope-averaged metrics can capture the majority of the overall variability in key properties (such as elevation, net potential annual radiation, and peak snow-water equivalent – SWE), (2) elevation and aspect are independent controls on plant and snow signatures, (3) near-surface bedrock electrical resistivity (top 20 m) and geological structures are significantly correlated with surface topography and plan species distribution, and (4) K-means, hierarchical clustering, and Gaussian mixture clustering methods generate similar zonation patterns across the watershed. Using independently collected data, we show that the identified zones provide information about zone-based watershed functions, including foresummer drought sensitivity and river nitrogen exports. The approach is expected to be applicable to other sites and generally useful for guiding the selection of hillslope-experiment locations and informing model parameterization.

58 GEOSCIENCES↗
DOE OSTI2021

Unsupervised Power System Event Detection and Classification Using Unlabeled PMU Data

This paper proposes a novel data-driven power system event detection and classification method based on 5TB of actual PMU measurements collected from the US western interconnect. Firstly, a set of comprehensive power quality rules are proposed to pre-filter the raw data and extract the regions of interest (ROI). Six distinct event categories are defined and corresponding patterns are chosen as references. Meanwhile, detailed characteristics of patterns are summarized to enhance our understanding of the actual events. Then, the time-independent feature vectors are generated by extracting the statistical, temporal, and spectral features from the raw time-series data. Furthermore, an ensemble model is proposed to cluster the events by combining multiple K-means clustering models using a voting strategy. Besides, both system-level and PMU-level clustering models are developed. The accuracy and robustness of the event detection method are further improved through interactive evaluation of the two-level clustering results. This paper summarizes the actual characteristics of each event category and provides a reliable basis for accurate label generation. The experiments demonstrate the effectiveness of the proposed event detection and classification method.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Unsupervised Power System Event Detection and Classification Using Unlabeled PMU Data

This paper proposes a novel data-driven power system event detection and classification method based on 5TB of actual PMU measurements collected from the US western interconnect. Firstly, a set of comprehensive power quality rules are proposed to pre-filter the raw data and extract the regions of interest (ROI). Six distinct event categories are defined and corresponding patterns are chosen as references. Meanwhile, detailed characteristics of patterns are summarized to enhance our understanding of the actual events. Then, the time-independent feature vectors are generated by extracting the statistical, temporal, and spectral features from the raw time-series data. Furthermore, an ensemble model is proposed to cluster the events by combining multiple K-means clustering models using a voting strategy. Besides, both system-level and PMU-level clustering models are developed. The accuracy and robustness of the event detection method are further improved through interactive evaluation of the two-level clustering results. This paper summarizes the actual characteristics of each event category and provides a reliable basis for accurate label generation. The experiments demonstrate the effectiveness of the proposed event detection and classification method.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Exploring Geothermal Potential of Great Basin Sub-Regions: Preprint

The INnovative Geothermal Exploration through Novel Investigations Of Undiscovered Systems (INGENIOUS) project aims to discover new, economically viable hidden geothermal systems in the Great Basin region by building on previous work in play fairway analysis and machine learning. A key objective of this project is to develop an exploration workflow to reduce geothermal exploration risks for hidden geothermal systems. A single preliminary play fairway workflow was developed from the assessment of the regional INGENIOUS geological, geophysical, and geochemical datasets. This workflow provided new preliminary predictive geothermal fairway maps for the INGENIOUS study area, which encompasses most of Nevada, western Utah, southern Idaho, southeastern Oregon, and easternmost California. However, a recent study (incorporating machine learning techniques) of a portion of Nevada identified four geologic domains and determined that the relative importance of individual datasets or features as indicators of geothermal potential may differ across these domains. The INGENIOUS study area includes a much larger and more geologically diverse region; therefore, additional geologic domains or sub-regions are expected. To assess the sub-regions in the INGENIOUS study area, principal component analysis and k-means clustering were applied. Preliminary results indicate that the INGENIOUS regional data cluster into groups that relate to different geologic domains in the Great Basin region. These include domains such as the Walker Lane, extensional western Great Basin region, broad lower strain region in the eastern Great Basin of western Utah and eastern Nevada, Quaternary volcanic fields, and the area adjacent to the Snake River Plain. These clusters are assessed to determine the key geologic drivers of the identified clusters. Understanding this variability can provide key insights for the exploration and characterization of hidden geothermal systems in the Great Basin region and could indicate the need to develop multiple geothermal conceptual models and play fairway workflows for the INGENIOUS study area.

GEOTHERMAL ENERGY↗
DOE OSTI2024

Investigation of acoustic waves under subsurface conditions to improve the predictions of rock mechanical properties and natural fracture characteristics

Mechanical properties and natural fracture characteristics are critical to investigate for subsurface engineering applications, including carbon storage, well drilling, and stimulation, as they govern rock stability, fluid flow, and mechanical behavior under stress. This dissertation integrates experimental and machine learning approaches to enhance the prediction and understanding of these properties by analyzing acoustic wave behavior under varied subsurface conditions. First, the influence of temperature, pore pressure, and supercritical CO2 (scCO2) saturation on poroelastic properties is examined using Gray Berea sandstone samples. The results show that temperature and pore pressure significantly affect the bulk modulus and Biot’s coefficient, while scCO2 saturation impacts rock compressibility, informing strategies for effective geological carbon storage. The study extends this understanding by experimentally evaluating the impact of reservoir depletion on the dynamic mechanical properties of the emerging Caney shale in South Oklahoma with the employment of unsupervised machine learning to predict static mechanical properties across the Caney shale. Integrating petrophysical data and chemostratigraphy, the workflow—featuring K-means clustering, principal component analysis (PCA), and inverse distance weighting (IDW)—improves stratigraphic characterization and the estimation of static-to-dynamic modulus ratios, which is vital for optimizing drilling and stimulation strategies. Finally, the work explores how natural fracture characteristics in shale influence acoustic waveforms and shear wave splitting (SWS) analysis. Experimental data on fractured samples under different stress and temperature conditions, combined with machine learning models such as K-nearest neighbors (KNN) and extreme gradient boosting (XGBoost), reveal key fracture properties impacting SWS and wave propagation. Together, these studies provide a comprehensive framework for linking acoustic wave behavior with rock properties, advancing the methods for monitoring and predicting geomechanical changes. The insights offered valuable implications for safer, more efficient CO2 injection, hydrocarbon extraction, and subsurface management.

Elkholy, Sherif↗
DOE OSTI2025

Electron-Proton Scattering Event Generation using Structured Tokenization

Recent work such as Omnijet-$\alpha$ has demonstrated that effective tokenization combined with transformer-based architectures can produce effective foundation models for jet physics. While tokenization may help models capture generalizable event characteristics, it also introduces discretization errors that may compromise the precision required for downstream physics analyses. As the number and complexity of the particle features grow, these errors are likely to grow proportionally. In this study, we investigate new tokenization strategies to improve the application of generative transformer models to \textsc{Pythia8} simulations of electron-proton scattering at the Electron-Ion Collider. Specifically, we propose a feature-based structured tokenization approach that utilizes multiple tokens per particle, improving expressivity, while reducing the total number of unique tokens needed. We evaluate this method against grid-based binning, K-means clustering, and vector-quantized variational auto-encoders on the event simulations. Our results show that feature-based structured tokenization reduces discretization error, leading to more accurate generative modeling of particle-level events.

Goldenberg, Steven [Thomas Jefferson National Acce↗
DOE OSTI2025

Enhancing Cluster Identification in Atom Probe Tomography Data Using Transfer Learning

Atom Probe Tomography (APT) is a powerful technique for visualizing the atomic-scale distribution of solutes in materials, but quantitative cluster analysis of APT datasets remains a challenge due to the need for subjective parameter selection in clustering algorithms. While distance-based and density-based methods such as HDBSCAN are widely used, their performance is highly sensitive to user-defined parameters, which undermines reproducibility and accuracy. This study proposes an image-based, deep learning-aided workflow for automating parameter selection and cluster detection in APT data analysis. By projecting 3D APT point clouds onto 2D planes, we leverage pretrained convolutional neural networks (ConvNeXt-Tiny and ResNet-50) through transfer learning to predict the number of clusters present in synthetic datasets. The output is used to guide K-means clustering and estimate HDBSCAN parameters, specifically minimum cluster size and minimum sample points. This approach reduces reliance on manual parameter tuning, improving consistency and scalability. The methodology demonstrates the feasibility of using image-based deep learning for interpreting complex spatial patterns in APT data, enabling faster and more objective analysis. The complete workflow and code are made publicly available to support reproducibility and future research.

Density-based clustering↗
DOE OSTI2024

Using Knowledge-Guided Machine Learning To Assess Patterns of Areal Change in Waterbodies across the Contiguous United States

Lake and reservoir surface areas are an important proxy for freshwater availability. Advancements in machine learning (ML) techniques and increased accessibility of remote sensing data products have enabled the analysis of waterbody surface area dynamics on broad spatial scales. However, interpreting the ML results remains a challenge. While ML provides important tools for identifying patterns, the resultant models do not include mechanisms. Thus, the “black-box” nature of ML techniques often lacks ecological meaning. Using ML, we characterized temporal patterns in lake and reservoir surface area change from 1984 to 2016 for 103,930 waterbodies in the contiguous United States. We then employed knowledge-guided machine learning (KGML) to classify all waterbodies into seven ecologically interpretable groups representing distinct patterns of surface area change over time. Many waterbodies were classified as having “no change” (43%), whereas the remaining 57% of waterbodies fell into other groups representing both linear and nonlinear patterns. This analysis demonstrates the potential of KGML not only for identifying ecologically relevant patterns of change across time but also for unraveling complex processes that underpin those changes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Correlative piezoresponse and micro-Raman imaging of CuInP 2 S 6 –In 4/3 P 2 S 6 flakes unravels phase-specific phononic fingerprint via unsupervised learning

Characterizing the novel properties of layered van der Waals materials is key for their application in functional devices. A better understanding of this type of material requires correlative imaging of diverse nanoscale material properties. Within this class of materials, CuInP 2 S 6 (CIPS) has received a significant degree of interest due to its ionically mediated room temperature ferroelectricity. Moreover, it is possible to form stable self-assembled heterostructures of ferroelectric CuInP 2 S 6 (CIPS) and non-ferroelectric (i.e., lacking Cu) In 4/3 P 2 S 6 (IPS) phases, by controlling the targeted composition and kinetics of synthesis. In this work, we present a correlative nanometric imaging study of the phononic modes and piezoelectricity of the phase-separated thin heteroepitaxial CIPS/IPS flakes. Here, we show that it is possible to isolate the different phononic modes of the two phases by spatially correlating them with their distinct ferroelectric behavior. The coupling of our experimental data with unsupervised learning statistical methods enables unraveling specific Raman peaks that are characteristic of each chemical phase (CIPS and IPS) present in the composite sample, discarding the less significant ones.

correlative microscopy↗
DOE OSTI2021

Genomic patterns of structural variation among diverse genotypes of Sorghum bicolor and a potential role for deletions in local adaptation

Genomic structural mutations, especially deletions, are an important source of variation in many species and can play key roles in phenotypic diversification and evolution. Previous work in many plant species has identified multiple instances of structural variations (SVs) occurring in or near genes related to stress response and disease resistance, suggesting a possible role for SVs in local adaptation. Sorghum [Sorghum bicolor (L.) Moench] is one of the most widely grown cereal crops in the world. It has been adapted to an array of different climates as well as bred for multiple purposes, resulting in a striking phenotypic diversity. In this study, we identified genome-wide SVs in the Biomass Association Panel, a collection of 347 diverse sorghum genotypes collected from multiple countries and continents. Using Illumina-based, short-read whole-genome resequencing data from every genotype, we found a total of 24,648 SVs, including 22,359 deletions. The global site frequency spectrum of deletions and other types of SVs fit a model of neutral evolution, suggesting that the majority of these mutations were not under any types of selection. Clustering results based on single nucleotide polymorphisms separated the genotypes into eight clusters which largely corresponded with geographic origins, with many of the large deletions we uncovered being unique to a single cluster. Even though most deletions appeared to be neutral, a handful of cluster-specific deletions were found in genes related to biotic and abiotic stress responses, supporting the possibility that at least some of these deletions contribute to local adaptation in sorghum.

59 BASIC BIOLOGICAL SCIENCES↗