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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Identifying Potential Candidates for Renewable Energy Zones (REZs) in Bangladesh

Bangladesh faces several hurdles to achieving its renewable energy objectives, such as land availability and transmission congestion. Renewable Energy Zones (REZ), which are geographic areas with high-quality utility-scale renewable resources, suitable land topography, and commercial interest, can help address these challenges and support long-term generation and transmission planning. This study focuses on solar PV (fixed-tilt) and onshore wind, leveraging recently developed high temporal and spatial resolution resource data. In the moderate land exclusion scenario, large "study areas" are identified in Bangladesh with capacity factors in the top 25% for the entire country - 5 for wind and 8 for solar. Within these study areas, 19 candidates for REZ are identified based on the overlap between these study areas and upazilas (i.e., administrative subdivisions) containing economic development zones. Four of the identified candidate zones are opportunities for priority development, given the combination of strong wind and solar resources and the presence of economic zones. Furthermore, the geographic diversity of wind and solar resources in Bangladesh could help increase grid resilience by not concentrating all renewable energy development in the same region. Finally, pairing REZ with economic zones can bolster economic development, take advantage of large electricity demand, and leverage existing infrastructure investments.

Bangladesh↗
DOE OSTI2023

Assessing Low-Temperature Geothermal Play Types: Relevant Data and Play Fairway Analysis Methods

This data catalog contains information on low temperature geothermal play types. The U.S. Department of Energy (DOE) Geothermal Technologies Office (GTO) supports the Geothermal Heating and Cooling Geospatial Datasets and Analysis project, conducted by the National Renewable Energy Laboratory (NREL). This project is part of a broader effort to demonstrate the multifaceted value of integrating geothermal power and geothermal heating and cooling technologies into national decarbonization strategies and community energy plans. There is a need to establish baseline low-temperature geothermal resource data sets and evaluate methods for deploying these technologies. This project aims to reduce exploration risk of low temperature geothermal systems by collecting baseline datasets that can be used for Play Fairway Analysis methodologies. This data catalog contains links to publicly available datasets from different sources that can be relevant for the low temperature geothermal systems. This submission contains data catalogs for Alaska, Hawaii, and the Conterminous United States, as well as a technical report on the methods used to classify and asses the geothermal play types.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Dataset for report: Non-Technical Barriers to Geothermal Development in California and Nevada

In California and Nevada, geothermal projects are subject to non-technical barriers, which may create development delays leading to higher project costs and risks and decreased competitiveness with other electricity generation technologies. These non-technical barriers may include federal and state permits, authorizations, environmental reviews, and other regulatory requirements that are applicable throughout different phases of geothermal project development. The 2022 National Renewable Energy Laboratory (NREL) report, "Non-Technical Barriers to Geothermal Development in California and Nevada" presents findings of a study on non-technical barriers that may influence geothermal project development. The set of data resources relied upon for the report includes: 1) interviews conducted with relevant geothermal stakeholders including regulators and project developers, 2) federal and state environmental review documents developed for specific projects, 3) a techno-economic analysis conducted using the NREL Annual Technology Baseline (ATB) framework, and 4) an analysis of the impacts of site-specific land access and permitting considerations on project development readiness conducted using the Geothermal Resource Portfolio Optimization and Reporting Technique (GeoRePORT) Socioeconomic Assessment Tool (SEAT).

15 GEOTHERMAL ENERGY↗
NASA NTRS2006

LDCM Grid Prototype (LGP)

The LGP successfully demonstrated that grid technology could be used to create a collaboration among research scientists, their science development machines, and distributed data to create a science production system in a nationally distributed environment. Grid technology provides a low cost and effective method of enabling production of science products by the science community. To demonstrate this, the LGP partnered with NASA GSFC scientists and used their existing science algorithms to generate virtual Landsat-like data products using distributed data resources. LGP created 48 output composite scenes with 4 input scenes each for a total of 192 scienes processed in parallel. The demonstration took 12 hours, which beat the requirement by almost 50 percent, well within the LDCM requirement to process 250 scenes per day. The LGP project also showed the successful use of workflow tools to automate the processing. Investing in this technology has led to funding for a ROSES ACCESS proposal. The proposal intends to enable an expert science user to produce products from a number of similar distributed instrument data sets using the Land Cover Change Community-based Processing and Analysis System (LC-ComPS) Toolbox. The LC-ComPS Toolbox is a collection of science algorithms that enable the generation of data with ground resolution on the order of Landsat-class instruments.

Weinstein, Beth↗
DOE OSTI2020

Smart-DS: Synthetic Models for Advanced, Realistic Testing: Distribution Systems and Scenarios

The explosion of new ideas for distributed energy resources and advanced distribution grid algorithms faces a critical challenge: how can one effectively develop and evaluate these breakthrough technologies without an adequate set of power systems network, load, and resource data to test against? Today's open test systems, particularly for distribution systems, are tiny and incomplete; and though with enough effort, obtaining utility data under NDA can overcome scale challenges, the results can't be openly shared, preventing fair comparison. The Smart-DS project-led by NREL in partnership with MIT, Universidad Pontificia Comillas, CYME, and EDD-is working to overcome this gap by generating multiple large-scale, open, synthetic, distribution systems that are realistic but not real. These datasets go beyond a single medium voltage feeder (~1000 customers) to cover entire metropolitan areas and their surrounds with up to hundreds of feeders and millions of customers, complete with low voltage customer connections and high voltage sub-transmission. This scale allows adequate testing and analysis of not just local controls and advanced DERs, but also multiple substation interactions, optimized switching, full-scale distribution-OPF, and more. To accompany these datasets, the project is also building a rich set of scenario generation tools that can be used for distribution and transmission systems alike. This includes automated, spatially aware access to world-class, high-resolution solar, wind, and weather data: forward looking generation mixes: and highly configurable DER, load, climate, outage, control-scheme, and other scenarios. We will also highlight DiTTo, an exciting open-source, multi-way distribution dataset transformation tool for many-to-many format translation with scenario, merge/split, and many other manipulation capabilities.

DERs↗
DOE OSTI2025

Selection of Global Climate Model Data for Downscaling With Generative Machine Learning and Use in the Power Planning for Alignment of Climate and Energy Systems Project

The range of results from climate models and scenarios is important to the understanding of uncertainty in power planning analysis. A U.S. Department of Energy-funded analytic project called Power Planning for Alignment of Climate and Energy Systems is developing data and analytic methods to reflect the effects of climate change on key variables for power system planning, as part of the Grid Modernization Lab Consortium. This project will select and prepare global climate model results for use in power system planning models. A related report (Evaluation of Global Climate Models for Use in Energy Analysis) assesses the performance of various global climate models from the Coupled Model Intercomparison Project Phase 6 data archive for their historical skill with respect to energy system performance and for their future projections under multiple climate change scenarios. Building from that report, we describe the selection of a climate scenario (Shared Socioeconomic Pathway [SSP] 2-4.5) and five climate models: TaiESM1, EC-Earth3-CC, GFDL-CM4, EC-Earth3-Veg, and MPI-ESM1-2-HR. We describe the model selection criteria, which were based on the quality of the match between model results under historical conditions and on the representation of the range of future values for several variables. These results will be downscaled via an open-source generative machine learning method called Super-Resolution for Renewable Energy Resource Data with Climate Change Impacts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Performance Index Assessment for the PV Fleet Performance Data Initiative

We report on 250 PV systems throughout the United States, comprising 157 MWdc of system capacity and more than 10,000 monthly performance index (PI) values. Loss factors were isolated including first-year start-up issues, snowfall, soiling and inverter downtime. Inverter availability was found to contribute significant system energy loss during the first six months of operation, with an average of 8% loss occurring during this period, and 2.3% on average thereafter. Other start-up issues beyond inverter downtime, such as partial string outage, contributed additional underperformance in the first year of operation across the fleet. Winter performance was also found to be below summer performance on average, likely due to snowfall. A relationship was found between monthly snowfall accumulation in centimeters and monthly under-performance, indicating a 6%-40% loss in months with measured snowfall, depending on climate. After correcting for availability, snow and startup loss, over 90% of systems were performing within 10% of monthly expectation based on satellite resource data and PVWatts production estimates.

loss factors↗
NASA NTRSDate not supplied

Clinical Decision Support - Concepts of Operation

We are entering a new era in space exploration to return to the moon and explore Mars. These ambitious goals will require significant changes to in-flight and habitat medical care due to constraints on mass, volume, power, crew time and medical evacuation capabilities. These constraints make it absolutely necessary to develop transformative solutions using new technologies. The Exploration Medical Capability (ExMC) Element of the Human Research Program (HRP) pushes the boundary of space medical systems to advance the care of astronauts on future exploration missions beyond low Earth orbit by identifying and testing next-generation medical care and crew health maintenance technologies. The Clinical Decision Support (CDS) project addresses the gap Medical-701 within the Inflight Medical Conditions risk: Enhance medical capabilities within an exploration medical system. For long-duration, deep space missions, computational and data resources will play an important role in maintaining crew health, wellness and performance where the crew will need to be more self-reliant. The aim of the CDS project is to develop and provide recommended requirements for an in-vehicle CDSS that acts as an assistant for delivering optimal health and performance and medical care during exploration missions. The CDSS is envisioned as a software-based tool that will augment a crewmembers’ knowledge, skills and abilities to assist in decision-making and crew health and performance (CHP) management thus increasing CHP systems capabilities. The human interface will be context aware and lessen the cognitive load to assimilate and use information as well as combine large disparate data sets in such a manner that provides the crew with actionable insight to decisions related to crew medical, health and performance management. Crew autonomy will be provided through a CDS that presents knowledge and data in a context aware manner to augment a crew members’ knowledge, skills and abilities during the process of observation, orientation, decisions and action. The CDS project addresses the need for crew members to operate independently during long duration space exploration missions that require medical Levels of Care (LoC) V, the highest level specified by NASA-STD-3001 and described in more detail by the ExMC interpretation of LoC document (NASA/TM-2017-219290), where significant changes to in-flight and habitat medical care necessitate increasing crew autonomy in decision making and task performance. The CDS project will develop and test a series of iterative and increasingly more complex system prototypes. These annual demonstrations of the data system integration with the crew health and performance domain will inform exploration medical system requirements for an on-board Clinical Decision Support System (CDSS) through a series of use cases that guide CDS prototype functionality. CDS concepts are based on ExMC Concept of Operations documents (presented separately) and will highlight architecture extensibility to other more complex analyses and tests using core crew health and performance integrated data management, processing and visualization capabilities. This approach also establishes how externally developed analyses and approaches could be added to expand a clinical decision support system and thus highlight how a comprehensive system can be commercially and/or globally developed. The CDS project will build upon the concept of an integrated data management approach based on the Medical Data Architecture (MDA) project to more fully address challenges associated with in-flight and habitat medical, health and performance care due to constraints on mass, volume, power, crew time and medical evacuation capabilities required for medical LoC V. These requirements will be derived through systems engineering approaches and software prototype developments over the course of the multi-year CDS project to address crew health and performance decision-making and task performance, often autonomously executed by the crew, in a manner that is consistent with the appropriate medical level of care for the mission. This presentation will provide an overview of the vision for the CDS project and highlight the initial accomplishments in project planning, implementation and requirements identification in fiscal year 2020.

clinical decision support↗
NASA NTRSDate not supplied

Clinical Decision Support - Overview and Update

We are entering a new era in space exploration to return to the moon and explore Mars. These ambitious goals will require significant changes to in-flight and habitat medical care due to constraints on mass, volume, power, crew time and medical evacuation capabilities. These constraints make it absolutely necessary to develop transformative solutions using new technologies. The Exploration Medical Capability (ExMC) Element of the Human Research Program (HRP) pushes the boundary of space medical systems to advance the care of astronauts on future exploration missions beyond low Earth orbit by identifying and testing next-generation medical care and crew health maintenance technologies. The Clinical Decision Support (CDS) project addresses the gap Medical-701 within the Inflight Medical Conditions risk: Enhance medical capabilities within an exploration medical system. For long-duration, deep space missions, computational and data resources will play an important role in maintaining crew health, wellness and performance where the crew will need to be more self-reliant. The aim of the CDS project is to develop and provide recommended requirements for an in-vehicle CDSS that acts as an assistant for delivering optimal health and performance and medical care during exploration missions. The CDSS is envisioned as a software-based tool that will augment a crewmembers’ knowledge, skills and abilities to assist in decision-making and crew health and performance (CHP) management thus increasing CHP systems capabilities. The human interface will be context aware and lessen the cognitive load to assimilate and use information as well as combine large disparate data sets in such a manner that provides the crew with actionable insight to decisions related to crew medical, health and performance management. Crew autonomy will be provided through a CDS that presents knowledge and data in a context aware manner to augment a crew members’ knowledge, skills and abilities during the process of observation, orientation, decisions and action. The CDS project addresses the need for crew members to operate independently during long duration space exploration missions that require medical Levels of Care (LoC) V, the highest level specified by NASA-STD-3001 and described in more detail by the ExMC interpretation of LoC document (NASA/TM-2017-219290), where significant changes to in-flight and habitat medical care necessitate increasing crew autonomy in decision making and task performance. The CDS project will develop and test a series of iterative and increasingly more complex system prototypes. These annual demonstrations of the data system integration with the crew health and performance domain will inform exploration medical system requirements for an on-board Clinical Decision Support System (CDSS) through a series of use cases that guide CDS prototype functionality. CDS concepts are based on ExMC Concept of Operations documents (presented separately) and will highlight architecture extensibility to other more complex analyses and tests using core crew health and performance integrated data management, processing and visualization capabilities. This approach also establishes how externally developed analyses and approaches could be added to expand a clinical decision support system and thus highlight how a comprehensive system can be commercially and/or globally developed. The CDS project will build upon the concept of an integrated data management approach based on the Medical Data Architecture (MDA) project to more fully address challenges associated with in-flight and habitat medical, health and performance care due to constraints on mass, volume, power, crew time and medical evacuation capabilities required for medical LoC V. These requirements will be derived through systems engineering approaches and software prototype developments over the course of the multi-year CDS project to address crew health and performance decision-making and task performance, often autonomously executed by the crew, in a manner that is consistent with the appropriate medical level of care for the mission. This presentation will provide an overview of the vision for the CDS project and highlight the initial accomplishments in project planning, implementation and requirements identification in fiscal year 2020.

clinical decision support system↗
DOE OSTI2021

Assessing boundary condition and parametric uncertainty in numerical-weather-prediction-modeled, long-term offshore wind speed through machine learning and analog ensemble

To accurately plan and manage wind power plants, not only does the time-varying wind resource at the site of interest need to be assessed but also the uncertainty connected to this estimate. Numerical weather prediction (NWP) models at the mesoscale represent a valuable way to characterize the wind resource offshore, given the challenges connected with measuring hub-height wind speed. The boundary condition and parametric uncertainty associated with modeled wind speed is often estimated by running a model ensemble. However, creating an NWP ensemble of long-term wind resource data over a large region represents a computational challenge. Here, we propose two approaches to temporally extrapolate wind speed boundary condition and parametric uncertainty using a more convenient setup in which a mesoscale ensemble is run over a short-term period (1 year), and only a single model covers the desired long-term period (20 year). We quantify hub-height wind speed boundary condition and parametric uncertainty from the short-term model ensemble as its normalized across-ensemble standard deviation. Then, we develop and apply a gradient-boosting model and an analog ensemble approach to temporally extrapolate such uncertainty to the full 20-year period, for which only a single model run is available. As a test case, we consider offshore wind resource characterization in the California Outer Continental Shelf. Both of the proposed approaches provide accurate estimates of the long-term wind speed boundary condition and parametric uncertainty across the region (R 2 >0.75), with the gradient-boosting model slightly outperforming the analog ensemble in terms of bias and centered root-mean-square error. At the three offshore wind energy lease areas in the region, we find a long-term median hourly uncertainty between 10 % and 14 % of the mean hub-height wind speed values. Finally, we assess the physical variability in the uncertainty estimates. In general, we find that the wind speed uncertainty increases closer to land. Also, neutral conditions have smaller uncertainty than the stable and unstable cases, and the modeled wind speed in winter has less boundary condition and parametric sensitivity than summer.

17 WIND ENERGY↗
DOE OSTI2024

Resource Assessment for Distributed Wind Energy: An Evaluation of Best-Practice Methods in the Continental US

Current wind resources within the United States (US) indicate a potential to profitably install nearly 1,400 gigawatts of distributed wind (DW) capacity. This amount is equivalent to over half of the United States’ current energy demand from electricity, making it enough to power millions of homes and businesses and replace countless fossil fuel-based generating plants. Despite the potential growth of DW in the US, deployments are presently hindered by a lack of confidence in resource estimation methods. One potential challenge is that smaller-scale turbines, with hub heights of 40 meters or less, are disproportionately impacted by obstacles such as buildings and vegetation. These obstacles may produce complex wake effects, best modeled with high-fidelity complex fluid dynamics (CFD) models that are too computationally expensive to use for routine siting and resource assessment. Thus, installers today make use of heuristics and simple equations to approximate the impact of obstacles while also leveraging long-term resource data from commercial or publicly available atmospheric models. This study evaluates these historical and commonly used methods alongside new lower-order obstacle models produced from CFD simulations and measurement-based bias correction. The preliminary results from this study show the importance of taking care in the choice and application of mesoscale atmospheric models and the significant value of bias correction using measurements from nearby meteorological towers. Detailed obstacle modeling provides only modest additional gains in performance and, in some cases, can add error, especially at sites where turbines have already been located to avoid obvious impact from upwind obstacles. These findings reinforce the importance of collecting in situ measurements and suggest that obstacle models may be better applied in practice to automated or computer-aided siting, rather than in economic wind resource assessments.

17 WIND ENERGY↗
DOE OSTI2020

RNAcentral 2021: secondary structure integration, improved sequence search and new member databases

RNAcentral is a comprehensive database of non-coding RNA (ncRNA) sequences that provides a single access point to 44 RNA resources and >18 million ncRNA sequences from a wide range of organisms and RNA types. RNAcentral now also includes secondary (2D) structure information for >13 million sequences, making RNAcentral the world’s largest RNA 2D structure database. The 2D diagrams are displayed using R2DT, a new 2D structure visualization method that uses consistent, reproducible and recognizable layouts for related RNAs. The sequence similarity search has been updated with a faster interface featuring facets for filtering search results by RNA type, organism, source database or any keyword. This sequence search tool is available as a reusable web component, and has been integrated into several RNAcentral member databases, including Rfam, miRBase and snoDB. To allow for a more fine-grained assignment of RNA types and subtypes, all RNAcentral sequences have been annotated with Sequence Ontology terms. The RNAcentral database continues to grow and provide a central data resource for the RNA community. RNAcentral is freely available at https://rnacentral.org.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D

We report the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), funded by the US National Science Foundation, National Institutes of Health, and Department of Energy, has served structural biologists and Protein Data Bank (PDB) data consumers worldwide since 1999. RCSB PDB, a founding member of the Worldwide Protein Data Bank (wwPDB) partnership, is the US data center for the global PDB archive housing biomolecular structure data. RCSB PDB is also responsible for the security of PDB data, as the wwPDB-designated Archive Keeper. Annually, RCSB PDB serves tens of thousands of three-dimensional (3D) macromolecular structure data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) from all inhabited continents. RCSB PDB makes PDB data available from its research-focused RCSB.org web portal at no charge and without usage restrictions to millions of PDB data consumers working in every nation and territory worldwide. In addition, RCSB PDB operates an outreach and education PDB101.RCSB.org web portal that was used by more than 800,000 educators, students, and members of the public during calendar year 2020. This invited Tools Issue contribution describes (i) how the archive is growing and evolving as new experimental methods generate ever larger and more complex biomolecular structures; (ii) the importance of data standards and data remediation in effective management of the archive and facile integration with more than 50 external data resources; and (iii) new tools and features for 3D structure analysis and visualization made available during the past year via the RCSB.org web portal.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2021

Exploration Medical Capability Clinical Decision Support System Concept of Operations

The Clinical Decision Support (CDS) project supports the Exploration Medical Capability (ExMC) Element of the Human Research Program (HRP). Specifically, the CDS project addresses the ExMC gap, Medical-701: Enhance medical capabilities within an exploration medical system. For long-duration, deep space missions, computational and data resources will play an important role in maintaining crew health, wellness and performance where the crew will need to be more self-reliant as we enter a new era in space exploration to return to the moon and explore Mars. These ambitious goals will require significant change in in-flight medical care due to constraints on mass, volume, power, crew time, skills reduction over time and medical evacuation capabilities. These constraints make it absolutely necessary to develop transformative solutions using new technologies. Unlike the current paradigm for crew health in low-Earth orbit missions that rely on constant communication with Mission Control, the deep space missions will experience communication delays and possibly, no communications for finite periods of time. Hence, crew health management will benefit from analytics’ capabilities to augment decision support. A comprehensive, multi-functional on-board clinical decision support system (CDSS) will help crews assess and diagnose conditions, decide appropriate responses, and guide the provision of tailored and evidence-based treatments, while reflecting contextual factors and constraints. The context may include present and historical data, viable diagnostic equipment, available supplies and medications, and vehicle and environmental health. Communication time with ground-based personnel is delayed or non-existent during significant portions of the mission so the crew will need to autonomously respond to health, performance and medical situations, particularly those that are unplanned. The CDSS must also provide additional capabilities as complex as training for an emergency situation while augmenting non-expert practitioner skillsets if the Crew Medical Officer (CMO) is incapacitated, and as routine as facilitating delayed communication with flight surgeons on the ground. The CDSS must connect complex issues involving health, wellness, task performance and environmental domains. Furthermore, CDSS functionality will focus on semi-autonomous and autonomous decision-making by the crew that is necessary to address challenges in executing a self-contained medical system that enables health care without assistance from ground clinical experts. The document, ExMC CDSS Architecture Recommendation, (HRP- 48032) establishes a description of the envisioned CDSS architecture. The analytics, descriptive or advanced, contained in a CDSS will interface with the integrated crew health and performance architecture that provides the appropriate data sets. The aim of the CDS project is to develop requirements for a CDSS through a series of test-bed prototype developments and demonstrations.

HRP↗
DOE OSTI2025

Accelerating discoveries at DIII-D with the Integrated Research Infrastructure

DIII-D research is being accelerated by leveraging high performance computing (HPC) and data resources available through the National Energy Research Scientific Computing Center (NERSC) Superfacility initiative. As part of this initiative, a high-resolution, fully automated, whole discharge kinetic equilibrium reconstruction workflow was developed that runs at the NERSC for most DIII-D shots in under 20 min. This has eliminated a long-standing research barrier and opened the door to more sophisticated analyses, including plasma transport and stability. These capabilities would benefit from being automated and executed within the larger Department of Energy Advanced Scientific Computing Research program’s Integrated Research Infrastructure (IRI) framework. The goal of IRI is to empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. For transport, we are looking at producing flux matched profiles and also using particle tracing to predict fast ion heat deposition from neutral beam injection before a shot takes place. Our starting point for evaluating plasma stability focuses on the pedestal limits that must be navigated to achieve better confinement. This information is meant to help operators run more effective experiments, so it needs to be available rapidly inside the DIII-D control room. So far this has been achieved by ensuring the data is available with existing tools, but as more novel results are produced new visualization tools must be developed. In addition, all of the high-quality data we have generated has been collected into databases that can unlock even deeper insights. This has already been leveraged for model and code validation studies as well as for developing AI/ML surrogates. The workflows developed for this project are intended to serve as prototypes that can be replicated on other experiments and can be run to provide timely and essential information for ITER, as well as next stage fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study

The easiest and often most useful way to work with experimentally determined or computationally predicted structures of biomolecules is by viewing their three-dimensional (3D) shapes using a molecular visualization tool. Mol* was collaboratively developed by RCSB Protein Data Bank (RCSB PDB, RCSB.org) and Protein Data Bank in Europe (PDBe, PDBe.org) as an open-source, web-based, 3D visualization software suite for examination and analyses of biostructures. It is capable of displaying atomic coordinates and related experimental data of biomolecular structures together with a variety of annotations, facilitating basic and applied research, training, education, and information dissemination. Across RCSB.org, the RCSB PDB research-focused web portal, Mol* has been implemented to support single-mouse-click atomic-level visualization of biomolecules (e.g., proteins, nucleic acids, carbohydrates) with bound cofactors, small-molecule ligands, ions, water molecules, or other macromolecules. RCSB.org Mol* can seamlessly display 3D structures from various sources, allowing structure interrogation, superimposition, and comparison. Using influenza A H5N1 virus as a topical case study of an important pathogen, we exemplify how Mol* has been embedded within various RCSB.org tools—allowing users to view polymer sequence and structure-based annotations integrated from trusted bioinformatics data resources, assess patterns and trends in groups of structures, and view structures of any size and compositional complexity. In addition to being linked to every experimentally determined biostructure and Computed Structure Model made available at RCSB.org, Standalone Mol* is freely available for visualizing any atomic-level or multi-scale biostructure at rcsb.org/3d-view.

3D biostructure↗
DOE OSTI2021

Quantifying sensitivity in numerical weather prediction-modeled offshore wind speeds through an ensemble modeling approach

A decade of research has shown that numerical weather prediction (NWP)-modeled wind speeds can be highly sensitive to the inputs and setups within the NWP model. For wind resource characterization applications, this sensitivity is often addressed by constructing a range of setups and selecting the one that best validates against observations. However, this approach is not possible in areas that lack high-quality hub height observations, especially offshore wind areas. In such cases, techniques to quantify and disseminate confidence in NWP-modeled wind speeds in the absence of observations are needed. We address this need in the present study and propose best practices for quantifying the spread in NWP-modeled wind speeds. We implement an ensemble approach in which we consider 24 different setups to the Weather Research and Forecasting (WRF) model. We construct the ensemble by considering variations in WRF version, WRF namelist, atmospheric forcing, and sea surface temperature (SST) forcing. Our analysis finds that the standard deviation produces more consistent estimates compared to the interquartile range and tends to be the more conservative estimator for ensemble variability. We further find that model spread increases closer to the surface and on shorter time scales. In conclusion, we explore methods to attribute total ensemble variability to the different ensemble components (e.g., atmospheric forcing and SST product) and find that contributions by components also vary depending on time scale. We anticipate that the methods and results presented in this paper will provide a reasonable foundation for further research into ensemble-based wind resource data sets.

17 WIND ENERGY↗