Development of a Cloud-based Web-App for Wellbore Stability Analysis
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02 PETROLEUM↗
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Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning
Here, we develop a computational database, website applications (web-apps), and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D) heterostructures. Using density functional theory (DFT) based lattice parameters and electronic band energies for 674 nonmetallic exfoliable 2D materials, we generate 226 779 possible bilayer heterostructures. We classify these heterostructures into type-I, -II, and -III systems according to Anderson’s rule, which is based on the relative band alignments of the noninteracting monolayers. We find that type II is the most common and type III the least common heterostructure type. We subsequently analyze the chemical trends for each heterostructure type in terms of the Periodic Table of constituent elements. The band alignment data can also be used for identifying photocatalysts and high-work-function 2D metals for contacts. We validate our results by comparing them to experimental data as well as hybrid-functional predictions. Additionally, we carry out DFT calculations of a few selected systems (MoS 2 /WSe 2 , MoS 2 /h-BN, and MoSe 2 /CrI 3 ), to compare the band-alignment description with the predictions from Anderson’s rule. We develop web-apps to enable users to virtually create combinations of 2D materials and predict their properties. Additionally, we use ML tools to predict band-alignment information for 2D materials. The web-apps, tools, and associated data will be distributed through the JARVIS-HETEROSTRUCTURE website. Our analysis, results, and the developed web-apps can be applied to the screening and design applications, such as finding alternative photocatalysts, photodetectors, and high-work-function (WF) 2D-metal contacts.
2-dimensional systems↗
EcoPLOT: dynamic analysis of biogeochemical data
Motivation: We have created EcoPLOT (parameterized linkage of omics-driven technologies), a web-app for the dynamic, interactive analysis of biogeochemical datasets that combines state-of-the-art analysis tools to statistically and graphically explore environmental, geochemical and microbiome datasets. Using the iterative random forest, a machine learning algorithm, EcoPLOT allows for the de novo discovery of drivers which exhibit significant impact on plant, microbial or soil dynamics. Availability and implementation: EcoPLOT is built entirely within the R language. It can be accessed through any system where R is installed, including Windows, Mac and most Linux systems. EcoPLOT is free to use and can be accessed at https://github.com/cdsanchez18/EcoPLOT.
59 BASIC BIOLOGICAL SCIENCES↗
The ParFlow Sandtank: An interactive educational tool making invisible groundwater visible
Physical aquifer models are a highly effective teaching tool for hydrology education, however they come with inherent limitations that include the high cost to purchase, the static configuration of the model materials, the time required to visualize hydrogeological phenomena, and the effort to reset and clean them over time. To address these and other limitations, we have developed an interactive computer simulation of a physical aquifer model called the ParFlow Sandtank. In this gamified interface, users run the simulation using a familiar web-app like interface with sliders and buttons while learning real hydrologic concepts. Our user interface allows participants to dive into the world of hydrology, understanding assumptions about model parameters such as hydraulic conductivity, making decisions about inputs to groundwater aquifer systems such as pumping rates, visualizing outputs such as stream flow, transport, and saturation, and exploring various factors that impact real environmental systems such as climate change. The ParFlow Sandtank has already been used in a variety of educational settings with more than 9,000 users per year, and we feel this emerging educational tool can be used broadly in educational environments and can be scaled-up to provide greater accessibility for students and educators. Here we present the capabilities and workflow of the ParFlow Sandtank, two use cases, and additional tools and custom templates that have been developed to support and enhance the reach of the ParFlow Sandtank.
54 ENVIRONMENTAL SCIENCES↗
Evapotranspiration-Based Irrigation Scheduling in Cool-Season Vegetables
Crop evapotranspiration (ETc) is strongly linked with photosynthetically active vegetation fraction (Fc). Estimation of ETc may support efficiency gains in irrigation water management, which in turn can mitigate nitrate leaching, promote water supply sustainability, and reduce energy costs associated with water pumping or transport. The University of California Cooperative Extension operates the CropManage (CM) model as a freely-available web-application for growers and consultants to support irrigation and nitrogen scheduling decisions. CM accounts for the rapid growth and typically brief cycle of cool-season vegetables, where Fc and crop coefficient (fraction of reference ET) can change daily during canopy development. Daily weather conditions are inherently accounted for by use of grass reference ETo data imported from the California Dept. Water Resources. Crop water requirement calculations are output in terms of irrigation system runtime. Empirical equations are used to estimate daily Fc time-series for a given crop type, primarily as a function of planting date and expected harvest. An applications programming interface (API) enables CM to import satellite-based Fc observations from NASA's Satellite Irrigation Management Support, which uses Landsat imagery to monitor about eight million irrigation acres statewide. The API is intended to provide a check on internal CM predictions of Fc and to facilitate expansion of the web-app to new crops and regions. A replicated irrigation trial was performed on cauliflower during spring/summer 2018 at the USDA Agricultural Research Station in Salinas, CA. The crop was established by sprinkler irrigation, and CropManage was then used to guide a series of drip irrigation treatments at 50%, 75%, 100%, and 150% of ETc replacement levels. Results will be presented with respect to water use efficiency, nitrogen use efficiency, biomass yield, and marketable yield. Additional findings will be presented for a celery trial harvested during autumn 2018.
Johnson, Lee↗
Hot on the Trail: Mapping Wildland Fires With Citizen Science and Live Image Processing
Heightened fire activity is straining existing firefighting resources and budgets across the nation and worldwide. For this reason, the 2021 NASA Academy at Langley Research Center has the challenge of applying NASA technology to the challenges faced by wild-land firefighting professionals. The approach is three-fold: Data Acquisition, Communications, and Equipment Development. The Communications Team focused on improving data latency for fire mapping and advancing communications between civilians and incident dispatch. The team developed two main concepts to address these areas: First, they tried to identify, map, and transmit fire perimeter data via an Uncrewed Aerial System (UAS), and second, they suggest a fully functioning web-app for early fire detection and fire monitoring using citizen science. This report outlines the materials and methods of these concepts, as well as future work necessary to bring the proposed technology into the field.
UAS data transfer ground stations↗
An Ontology-Based Virtual Orrery
Tutorials in this technical memorandum explain how to use the Protégé ontology editor to import data from Excel and export data from Protégé in the JavaScript Object Notation Linked Data (JSON-LD) format then how to transform the JSON-LD file into variables for web apps. These tutorials apply JavaScript and R programming languages and 3D graphics libraries. Ontologies enable standardization, data sharing, and semantic interoperability. An ontology models a domain of knowledge as taxonomies of annotated classes, data properties, relational object properties, and inference rules. This technical memorandum includes a data dictionary for a subset of the Space Situational Awareness Ontology (SSAO).
Ontologies↗