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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Discovery of Stacking Heterogeneity, Layer Buckling, and Residual Water in COF-999-NH 2 and Implications on CO 2 Capture

Covalent organic frameworks (COFs), with their modular architectures and tunable functionalities, provide a versatile platform to design sorbents for the direct capture of CO 2 from air. Here, for this work, we combined density functional theory, molecular dynamics, and grand canonical Monte Carlo simulations with experiment to understand structural factors for furthering COF-999-NH 2 ’s performance as the precursor to COF-999 for direct air CO 2 capture. Small energy differences among laterally shifted stackings suggest intrinsic stacking heterogeneity. The simulations show pronounced layer buckling coupled to extensive amine–nitrile hydrogen bonding and persistent pore water, which initiates undesired polymerization and undermines uptake. The predicted presence of water is confirmed by subsequent experiments. These insights point to a single, actionable design rule: exclude retained water by introducing hydrophobic pore environments to maximize the CO 2 capture efficiency.

adsorption↗
DOE OSTI2020

Acid Exfoliation of Imine‐linked Covalent Organic Frameworks Enables Solution Processing into Crystalline Thin Films

Abstract Covalent organic frameworks (COFs) are highly modular porous crystalline polymers that are of interest for applications such as charge‐storage devices, nanofiltration membranes, and optoelectronic devices. COFs are typically synthesized as microcrystalline powders, which limits their performance in these applications, and their limited solubility precludes large‐scale processing into more useful morphologies and devices. We report a general, scalable method to exfoliate two‐dimensional imine‐linked COF powders by temporarily protonating their linkages. The resulting suspensions were cast into continuous crystalline COF films up to 10 cm in diameter, with thicknesses ranging from 50 nm to 20 μm depending on the suspension composition, concentration, and casting protocol. Furthermore, we demonstrate that the film fabrication process proceeds through a partial depolymerization/repolymerization mechanism, providing mechanically robust films that can be easily separated from their substrates.

Burke, David W.↗
DOE OSTI2026

Estimating coil features from an equilibrium

We present an explicit theoretical framework for constructing artificial modular coils for vacuum stellarator fields based solely on equilibrium properties, achieved through the formulation of a current potential defined on flux surfaces. Contours of constant Boozer toroidal angle can be directly interpreted as proxy coils, and so we demonstrate that key measures of coil complexity—particularly coil non-planarity—are strongly governed by local magnetic-field properties. This approach shows promise as predictor for more realistic coil configurations, providing both a pathway toward deeper understanding of equilibrium–coil relationships and a potential practical proxy for coil design.

Rodríguez, Eduardo [Max Planck Institute for Plasm↗
DOE OSTI2023

Verification methods for drift–diffusion reaction models for plasma simulations

Abstract Compared to other computational physics areas such as codes for general computational fluid dynamics, the documentation of verification methods for plasma fluid codes remains under developed. Current analytical solutions for plasma are often highly limited in terms of testing highly coupled physics, due to the harsh assumptions needed to derive even simple plasma equations. This work highlights these limitations, suggesting the method of manufactured solutions (MMSs) as a potential option for future verification efforts. To demonstrate the flexibility of MMS in verifying these highly coupled systems, the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework was utilized. Thanks to the MOOSE framework’s robustness and modularity, as well as to its physics module capabilities and ecosystem applications (i.e. Zapdos and the chemical reaction network) developed for plasma physics modeling and simulation, this report lays the groundwork for a structured method of conducting plasma fluid code verification.

DeChant, Corey (ORCID:0000000293779732)↗
DOE OSTI2025

HexWeather: Hexagonal Spatial Data Aggregation for Weather-Driven Grid Resilience Analysis

Extreme weather accounts for over 8 0 % of major U.S. power outages since 2000, highlighting the need for spatial tools that align weather data with the irregular boundaries of electric infrastructure. This paper introduces HexWeather, a modular, resolution-aware framework for aggregating historical and forecasted weather data using Uber's H3 hexagonal spatial indexing system. Unlike traditional methods that rely on state or county-level grids, HexWeather enables weather analysis across custom geographies such as utility service areas where public datasets are often unavailable or misaligned. Using Open-Meteo data, we evaluate how H3 resolution affects anomaly detection, spatial variability, and forecast uncertainty across three scales: state, county, and utility. Results show that while coarse resolutions suffice for broad trend tracking, finer resolutions are essential for identifying localized variability and operational risks. By applying metrics like Z-score standard deviation and interquartile range, HexWeather quantifies the spatial spread of both historical anomalies and forecasted conditions, allowing users to assess resolution adequacy for each analysis. This framework supports rapid weather data reuse, reproducible anomaly detection, and predictive modeling for infrastructure resilience. By bridging spatial misalignment in traditional datasets and enabling retrospective and forward-looking analysis within the same pipeline, HexWeather lays the groundwork for better post event analysis, outage prediction, and resilience planning.

Morris, Jacob [ORNL]↗
DOE OSTI2025

WRF-ELM v1.0: a regional climate model to study land–atmosphere interactions over heterogeneous land use regions

Abstract. The Energy Exascale Earth System Model (E3SM) Land Model (ELM) is a state-of-the-art land surface model that simulates the intricate interactions between the terrestrial land surface and other components of the Earth system. Originating from the Community Land Model (CLM) version 4.5, ELM has been under active development, with added new features and functionality, including plant hydraulics, radiation–topography interaction, subsurface multiphase flow, and more explicit land use and management practices. This study integrates ELM v2.1 with the Weather Research and Forecasting (WRF; WRF-ELM) model through a modified Lightweight Infrastructure for Land Atmosphere Coupling (LILAC) framework, enabling affordable high-resolution regional modeling by leveraging ELM's innovative features alongside WRF's diverse atmospheric parameterization options. This framework includes a top-level driver for variable communication between WRF and ELM and Earth System Modeling Framework (ESMF) caps for the WRF atmospheric component and ELM workflow control, encompassing initialization, execution, and finalization. Importantly, this LILAC–ESMF framework demonstrates a more modular approach compared to previous coupling efforts between WRF and land surface models. It maintains the integrity of ELM's source code structure and facilitates the transfer of future developments in ELM to WRF-ELM. To test the ability of the coupled model to capture land–atmosphere interactions over regions with a variety of land uses and land covers, we conducted high-resolution (4 km) WRF-ELM ensemble simulations over the Great Lakes region (GLR) in the summer of 2018 and systematically compared the results against observations, reanalysis data, and WRF-CTSM (WRF coupled with the Community Terrestrial Systems Model). In general, the coupled WRF-ELM model has reasonably captured the spatial distribution of surface state variables and fluxes across the GLR, particularly over the natural vegetation areas. The evaluation results provide a baseline reference for further improvements in ELM in the regional application of high-resolution weather and climate predictions. Our work serves as an example to the model development community for expanding an advanced land surface model's capability to represent fully-coupled land–atmosphere interactions at fine spatial scales. The development and release of WRF-ELM marks a significant advancement for the ELM user community, providing opportunities for fine-scale regional representation, parameter calibration in coupled mode, and examination of new schemes with atmospheric feedback.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

Toward Right-Fidelity Rotorcraft Conceptual Design

The aviation Advanced Design Office (ADO) of the US Army Aeroflightdynamics Directorate (AMRDEC) performs conceptual design of advanced Vertical Takeoff and Landing (VTOL) concepts in support of the Army's development and acquisition of new aviation systems. In particular, ADO engages in system synthesis to assess the impact of new technologies and their application to satisfy emerging warfighter needs and requirements. Fundamental to ADO being successful in accomplishing its role; is the ability to evaluate a wide array of proposed air vehicle concepts, and independently synthesize new concepts to inform Army and DoD decision makers about the tradespace in which decisions will be made (Figure 1). ADO utilizes a conceptual design (CD) process in the execution of its role. Benefiting from colocation with NASA rotorcraft researchers at the Ames Research Center, ADO and NASA have engaged in a survey of the current rotorcraft PD practices and begun the process of improving those capabilities to enable effective design and development of the next generation of VTOL systems. A unique aspect of CD in ADO is the fact that actual designs developed in-house are not intended to move forward in the development process. Rather, they are used as reference points in discussions about requirements development and technology impact. The ultimate products of ADO CD efforts are technology impact assessments and specifications which guide industry design activity. The fact that both the requirement and design are variables in the tradespace adds to the complexity of the CD process. A frequent need is ability to assess the relative "cost" of variations in requirement for a diverse set of VTOL configurations. Each of these configurations may have fundamentally different response characteristics to this requirement variation, and such insight into how different requirements drive different designs is a critical insight ADO attempts to provide decision makers. The processes and tools utilized are driven by the timeline in which questions must be answered. This can range from quick "back-of-the-envelope" assessments of a configuration made in an afternoon, to more detailed tradespace explorations that can take upwards of a year to complete. A variety of spreadsheet based tools and conceptual design codes are currently in use. The in-house developed conceptual sizing code RC (Rotorcraft) has been the preferred tool of choice for CD activity for a number of years. Figure 2 illustrates the long standing coupling between RC and solid modeling tools for layout, as well as a number of ad-hoc interfaces with external analyses. RC contains a sizing routine that is built around the use of momentum theory for rotors, classic finite wing theory, a referred parameter engine model, and semi-emperical weight estimation techniques. These methods lend themselves to rapid solutions, measured in seconds and minutes. The successful use of RC, however requires careful consideration of model input parameters and judicious comparison with existing aircraft to avoid unjustified extrapolation of results. RC is in fact a legacy of a series of codes whose development started in the early 1970s, and is best suited to the study of conventional helicopters and XV-15 style tiltrotors. Other concepts have been analyzed with RC, but typically it became necessary to modify the source code and methods for each unique configuration. Recent activity has lead to the development of a new code, NASA Design and Analysis of Rotorcraft (NDARC). NDARC uses a similar level of analytical fidelity as RC, but is built on a new framework intended to improve modularity and ability to rapidly model a wider array of concepts. Critical to achieving this capability is the decomposition of the aircraft system into a series of fundamental components which can then be assembled to form a wide-array of configurations. The paper will provide an overview of NDARC and its capabilities.

Sinsay, Jeffrey D.↗
NASA NTRS2006

ASPEN Version 3.0

The Automated Scheduling and Planning Environment (ASPEN) computer program has been updated to version 3.0. ASPEN is a modular, reconfigurable, application software framework for solving batch problems that involve reasoning about time, activities, states, and resources. Applications of ASPEN can include planning spacecraft missions, scheduling of personnel, and managing supply chains, inventories, and production lines. ASPEN 3.0 can be customized for a wide range of applications and for a variety of computing environments that include various central processing units and random access memories.

Rabideau, Gregg↗
NASA NTRS2006

Tool for Analysis and Reduction of Scientific Data

The Automated Scheduling and Planning Environment (ASPEN) computer program has been updated to version 3.0. ASPEN as a whole (up to version 2.0) has been summarized, and selected aspects of ASPEN have been discussed in several previous NASA Tech Briefs articles. Restated briefly, ASPEN is a modular, reconfigurable, application software framework for solving batch problems that involve reasoning about time, activities, states, and resources. Applications of ASPEN can include planning spacecraft missions, scheduling of personnel, and managing supply chains, inventories, and production lines. ASPEN 3.0 can be customized for a wide range of applications and for a variety of computing environments that include various central processing units and randomaccess memories. Domain-specific reasoning modules (e.g., modules for determining orbits for spacecraft) can easily be plugged into ASPEN 3.0. Improvements over other, similar software that have been incorporated into ASPEN 3.0 include a provision for more expressive time-line values, new parsing capabilities afforded by an ASPEN language based on Extensible Markup Language, improved search capabilities, and improved interfaces to other, utility-type software (notably including MATLAB).

James, Mark↗
NASA NTRS2012

Crossing the Virtual World Barrier with OpenAvatar

There are multiple standards and formats for 3D models in virtual environments. The problem is that there is no open source platform for generating models out of discrete parts; this results in the process of having to "reinvent the wheel" when new games, virtual worlds and simulations want to enable their users to create their own avatars or easily customize in-world objects. OpenAvatar is designed to provide a framework to allow artists and programmers to create reusable assets which can be used by end users to generate vast numbers of complete models that are unique and functional. OpenAvatar serves as a framework which facilitates the modularization of 3D models allowing parts to be interchanged within a set of logical constraints.

Joy, Bruce↗
NASA NTRS2018

Pterodactyl: Integrated Control Design for Precision Targeting of Deployable Entry Vehicles

Deployable Entry Vehicles (DEVs) enable in-situ scientific exploration at destinations with atmospheres across the solar system. Because they stow in a compact form and deploy only when ready to enter the atmosphere, DEVs relax the volume constraint imposed by rigid aeroshells. This work seeks to do for a DEV what the Wright Brothers did to propel modern day aviation: develop the guidance and control (G&C) methods that will make maneuvering and precision landing of DEV a reality. The Pterodactyl project objective is to deliver an integrated G&C methodology for a DEV, based on a detailed analysis that utilizes a Multi-disciplinary, Design, Analysis and Optimization (MDAO) framework. The current state-of-the-art for blunt body entry, G&C is rooted in the precision landing of vehicles such as Mars Science Laboratory (MSL) and Apollo, which used a propulsive reaction control system (RCS) to steer. Recent research has taken a particular interest in non-propulsive control for DEVs, including direct force control (angle of attack modulation via control surfaces or mass movement) and drag modulation (discrete change in ballistic coefficient). Using the MDAO framework that includes a guidance and control model to explore multiple control concepts for a DEV will shed light on the best design approach for these vehicles. In Pterodactyl, we will complete this study for a novel DEV concept, and then we will fabricate a functional prototype to help validate the design. The project is expected to down-select to a final control architecture by the end of 2018, and complete fabrication of the prototype by the end of 2019.The DEV chosen for detailed study in this project is the Adaptable Deployable Entry and Placement Technology (ADEPT). ADEPT uses a revolutionary 3D-woven carbon fabric that is foldable, can serve as primary structure, and can survive the extreme heating environment of atmospheric entry. The specific configuration of ADEPT under investigation is called Lifting Nano-ADEPT (LNA). LNA is designed for secondary payloads missions that require precision landing either for scientific objectives at a target destination or for payload recovery at Earth.The MDAO framework being created through this research, called COBRA-Pt (Composite Beam Roll-Up Solar Array-Prototype), will combine three critical elements of the system design: a guidance algorithm with Monte Carlo, a parametric control model, and vehicle geometry details. Novel control models being studied are deployable aerodynamic surfaces as well as shape morphing. These concepts will be compared at the system level with a more traditional propulsive RCS by comparing several key performance parameters. Upon completion of the design study, a functional prototype of LNA will be fabricated that will include the integration of guidance software and relevant control actuators. We expect this study will provide critical data that could feed into the development of an Earth-based flight test of LNA. The COBRA-Pt framework will provide a modular system by which to study any DEV concept in any atmosphere.

Smith, Brandon↗
DOE OSTI2025

Materials Data Science Ontology(MDS-Onto): Unifying Domain Knowledge in Materials and Applied Data Science

Ontologies have gained popularity in the scientific community as a way to standardize terminologies in organizations’ data. Although certain cohorts have created frameworks with rules and guidelines on creating ontologies, there exist significant variations in how Materials Science ontologies are currently developed. We seek to provide guidance in the form of a unified automated framework for developing interoperable and modular ontologies for Materials Data Science that simplifies the ontology terms matching by establishing a semantic bridge up to the Basic Formal Ontology(BFO). This framework provides key recommendations on how ontologies should be positioned within the semantic web, what knowledge representation language is recommended, and where ontologies should be published online to boost their findability and interoperability. Two fundamental components of the MDS-Onto framework are the bilingual package called FAIRmaterials for ontology creation and FAIRLinked, for FAIR data creation. To showcase the practical capabilities of FAIRmaterials, we present two exemplar domain ontologies of MDS-Onto: Synchrotron X-Ray Diffraction and Photovoltaics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRSDate not supplied

Simultaneous Aerosol and Ocean Polarimeter Products Using Coupled Atmosphere-Ocean Vector Radiative Transfer and Neural Networks: The PACE-MAPP Algorithm

We describe the PACE-MAPP algorithm that simultaneously retrieves aerosol and ocean optical parameters using multiangle and multi-channel polarimeter measurements from the SPEXone, Hyper-Angular Rainbow Polarimeter 2 (HARP2), and Ocean Color Instrument (OCI) instruments onboard the NASA Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) observing system PACE-MAPP is adapted from the Research Scanning Polarimeter (RSP) Microphysical Aerosol Properties from Polarimetry (RSP-MAPP) algorithm. A key feature of the MAPP family of algorithms is the use of a coupled vector radiative transfer model such that the atmosphere and ocean are always considered together as one system. Consequently, conservation of energy ensures that negative water-leaving radiances do not occur. PACE-MAPP uses optimal estimation to simultaneously characterize the optical and microphysical properties of aerosol and ocean constituents, find the optimal solution, and reliably account for the uncertainties of each parameter. This coupled approach, together with multiangle, multi-channel polarimeter measurements, will enable retrievals of aerosol and water properties across the Earth’s oceans. The PACE-MAPP algorithm provides aerosol and ocean products for both the open ocean and coastal areas and is designed to be accurate, modular, and efficient by using fast neural networks that replace the time-consuming vector radiative transfer calculations. We provide an overview of the PACE-MAPP framework and also describe its modular components including its aerosol and hydrosol models, ocean bio-optical models, and thin cirrus model.

Snorre Stamnes↗
DOE OSTI2019

A data-driven framework for error estimation and mesh-model optimization in system-level thermal-hydraulic simulation

We report over the past decades, several computer codes have been developed for simulation and analysis of thermal-hydraulics and system response in nuclear reactors under operating, abnormal transient, and accident conditions. However, simulation errors and uncertainties still inevitably exist even while these codes have been extensively assessed and used. In this work, a data-driven framework (Optimal Mesh/Model Information System, OMIS) is formulated and demonstrated to estimate simulation error and suggest optimal selection of computational mesh size (i.e., nodalization) and constitutive correlations (e.g., wall functions and turbulence models) for low-fidelity, coarse-mesh thermal-hydraulic simulation, in order to achieve accuracy comparable to that of high-fidelity simulation. Using results from high-fidelity simulations and experimental data with many fast-running low-fidelity simulations, an error database is built and used to train a machine learning model that can determine the relationship between local simulation error and local physical features. This machine learning model is then used to generate insight and help correct low-fidelity simulations for similar physical conditions. The OMIS framework is designed as a modularized six-step procedure and accomplished with state-of-the-art methods and algorithms. A mixed-convection case study was performed to illustrate the entire framework.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Development of a MOOSE thermal model of the MPC-32 canister and HI-STORM overpack

Nuclear power is a significant source of electricity in the United States, but the average age of nuclear power plants is around 40 years old. Safe management of spent nuclear fuel (SNF) is a key aspect of the back end of the nuclear fuel cycle, and SNF dry storage systems are becoming a popular, effective solution in this area, given the absence of a final disposal system. The spent fuel cask system (dry cask method) provides a feasible solution for maintaining SNF (~60 years) prior to final disposal. This project aims to develop a thermal model of the MPC-32 canister and HI-STORM overpack, using the Multiphysics Object-Oriented Simulation Environment (MOOSE). MOOSE is an open-source framework developed by Idaho National Laboratory (INL) for multiscale, multiphysics simulations. This study will investigate and demonstrate the thermal-hydraulics capabilities of the MOOSE framework, including natural circulation, heat transfer, porous flows, etc. The ultimate goal of the project is to verify whether MOOSE tools (including Pronghorn) can be used to study the thermal performance of the SNF dry cask storage system. This study provides reliable and inclusive solving strategy for dry cask problems. The detailed information about the solving scheme and the governing equations related to the physics of the system is provided in the report. The results for thermal-hydraulic analysis of the HI-STORM system is produced with using open source modules of the MOOSE framework. This results highlights the flexibility and modularity of the MOOSE which makes it a unique candidate for the frameworks and code packages. Therefore, integration of the MOOSE to UNF ST&DARDS will improve the thermal-hydraulic capability of the system while providing distinctive features to users.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRSDate not supplied

Spacecraft-Initiated Scheduling of Commercial Communications Services

We propose a software framework enabling a spacecraft in Earth orbit to schedule its own access to space communications services via ground stations and relay satellites. All operations are automated, without a human in the loop, allowing for highly responsive service to meet time-varying needs. We describe a modular software architecture allowing the framework to interface with the scheduling systems of several providers - both government and commercial. Specifically, we present the results of an experiment with Amazon Web Services (AWS) Ground Station, an operational commercial service provider. Proposed software executed scheduling of a ground station antenna with minimal lead time (less than 20 minutes before the start of a pass). During the contact AWS cloud infrastructure was used to demodulate, process, and distribute data products from an orbiting satellite. We believe this work demonstrates the framework's ability to interface with additional providers and potential to integrate more complex decision-making in the future to schedule optimal contacts.

Scheduling↗