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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Correlated oxide Dirac semimetal in the extreme quantum limit

Quantum materials (QMs) with strong correlation and nontrivial topology are indispensable to next-generation information and computing technologies. Exploitation of topological band structure is an ideal starting point to realize correlated topological QMs. Here, we report that strain-induced symmetry modification in correlated oxide SrNbO 3 thin films creates an emerging topological band structure. Dirac electrons in strained SrNbO 3 films reveal ultrahigh mobility (μ max ≈ 100,000 cm 2 /Vs), exceptionally small effective mass (m* ~ 0.04m e ), and nonzero Berry phase. Strained SrNbO 3 films reach the extreme quantum limit, exhibiting a sign of fractional occupation of Landau levels and giant mass enhancement. Our results suggest that symmetry-modified SrNbO 3 is a rare example of correlated oxide Dirac semimetals, in which strong correlation of Dirac electrons leads to the realization of a novel correlated topological QM.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electric Vehicle Supply Equipment Security Solutions

The EVs@Scale cybersecurity pillar deep dive focuses on the three main tasks that NREL has in the consortium: (1) Analysis of EV charging mobile applications, (2) Cybersecurity risk assessments of EVSE through DER-CF, and (3) PKI for EVSE.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗
NASA NTRSDate not supplied

Evaluation of VSPAERO Analysis Capabilities for Conceptual Design of Aircraft with Propeller-Blown Wings

Advancements in electric propulsion and the emergence of Advanced Air Mobility are driving the evolution of new aircraft designs. Since electric propulsion enables flexibility in propeller location, there is an increasing need for reliable, quick analyses of propeller-airframe interactions during the conceptual design phase. Many existing analysis tools capable of accurately modeling propeller-airframe interactions are computationally expensive and require a high level of expertise and significant time investment for setup. VSPAERO is a NASA-developed, open source, computational analysis tool that runs a Vortex-Lattice Method (VLM) solver and is targeted at conceptual design. This paper assesses the applicability of the VSPAERO VLM in the conceptual design phase by comparing VSPAERO predictions to predictions by OVERFLOW, a Reynolds-Averaged Navier-Stokes Computational Fluid Dynamics solver, and RoBIN, another VLM tool. The paper details the modeling, meshing, and analysis techniques used within VSPAERO. Analyses were performed for a wing in isolation, a propeller in isolation, and then for two propeller-blown wing configurations: one with a propeller located at the midspan and another with a propeller located at the wingtip. The propeller was modeled both as an actuator disk and as rotating blades.

VSPAERO↗
DOE OSTI2024

COMPUTER-AIDED LATTICE DESIGN AND ADVANCED MODELING FOR THE DEVELOPMENT OF LIGHTWEIGHT STRUCTURAL MATERIALS

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lattice structured lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation (MOOSE) Environment input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

A Flight Replanning Tool for Terminal Area Urban Air Mobility Operations

In this presentation we describe and evaluate a flight replanning tool, called the trial planner, for terminal area air transport applications. The trial planner employs predefined airspace structures to generate rerouting options between vertiports. In a simplified definition, vertiports are facilities that provide services for managing the take-off and landing of autonomous or manned electric vertical take-off or landing (eVTOL) aircraft. The airspace structures involved in our test cases are arrival routes that consist of predefined entry points to which a transitional path is computed dynamically from the current position of the aircraft. Rerouting options include the transitional path and approach segment along the arrival route; these rerouting options are not vetted for potential conflicts with other operations until a human operator commits to a choice and forwards the flight plan modification for approval from an automated airspace management service. A selected rerouting option is executed by loading a flight plan file to the aircraft ground control station. We conducted a qualitative evaluation of the trial planner using ratings provided by flight crews and air transportation human factors experts with relevant experience from air traffic control. Evaluation criteria included trust in the route recommendations and adequate explanation for the route options. We detail the logic and implementation of the trial planner, as well as report the results of the evaluation of the implementation herein.

Trial planning↗
DOE OSTI2018

High resolution viscous fingering simulation in miscible displacement using a p-adaptive discontinuous Galerkin method with algebraic multigrid preconditioner

High resolution simulation of viscous fingering can offer an accurate and detailed prediction for subsurface engineering processes involving fingering phenomena. The fully implicit discontinuous Galerkin (DG) method has been shown to be an accurate and stable method to model viscous fingering with high Peclet number and mobility ratio. In this study, we present two techniques to speedup large scale simulations of this kind. The first technique relies on a simple p-adaptive scheme in which high order basis functions are employed only in elements near the finger fronts where the concentration has a sharp change. As a result, the number of degrees of freedom is significantly reduced and the simulation yields almost identical results to the more expensive simulation with uniform high order elements throughout the mesh. The second technique for speedup involves improving the solver efficiency. We present an algebraic multigrid (AMG) preconditioner which allows the DG matrix to leverage the robust AMG preconditioner designed for the continuous Galerkin (CG) finite element method. The resulting preconditioner works effectively for fixed order DG as well as p-adaptive DG problems. Finally, with the improvements provided by the p-adaptivity and AMG preconditioning, we can perform high resolution three-dimensional viscous fingering simulations required for miscible displacement with high Peclet number and mobility ratio in greater detail than before for well injection problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Algorithms and file structures to enhance software workflows for ion mobility mass spectrometry (IM-MS)

Support customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based metabolite characterization. Evaluate and improve the integration of ion mobility to existing MS analysis methods of the Mass Profiler Professional workflow (Mass Profiler, ID Browser and Mass Profiler Professional).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRSDate not supplied

Assured Contingency Landing Management for Advanced Air Mobility

Advanced Air Mobility (AAM) is quickly developing as a new air transportation system that moves people and packages in the regions previously not / less served by the current aviation systems. Such AAM must operate safely despite the potential to encounter hazards and experience anomalies and failures in-flight. It becomes especially important to have systematic auto-mitigation strategies to perform safe contingency actions in AAM flight operations, as pilots have limited Situational Awareness (SA) and limited time to make prompt decisions when encountering failures/anomalies in high-density low altitude airspace. This paper presents Assured Contingency Landing Management (ACLM) with an online landing strategy selection to decide between the following three options when a contingency landing is required: (1) Return-to-launch landing site, (2) Land immediately at a nearby clear but unprepared site, (3) Land at a prepared landing site from the approximate footprint. Our presented algorithm shows a real-time auto-mitigation loop with multiple threads that run simultaneously to check controllability, reachability, and intermediate decisions to hold/ loiter or continue the flight plan as the landing strategy solution is being computed. Case study simulation is demonstrated with the safety-critical propulsion system and battery system and shows how different failure scenarios impact the landing strategy selection.

Autonomous Mitigation↗
NASA NTRSDate not supplied

Passenger Aggregation Network with Very Efficient Listing (PANVEL) Ridesharing Model for Urban Air Mobility

This paper introduces a ridesharing model useful for examining the role of ridesharing in advancing Urban Air Mobility (UAM) operations. Although the success of UAM will likely require a host of new technologies in aircraft design, airspace management, autonomy, and more, operational innovations like ridesharing may also be key, especially to lower operating costs and attract a broader market. The ridesharing algorithm introduced, termed the Passenger Aggregation Network with Very Efficient Listing (PANVEL) model, estimates trip numbers and passenger occupancy aboard particular aircraft within a UAM network in a metropolitan area. This algorithm is applied within a transportation computational framework to determine the impact of ridesharing on mode choice, passenger travel patterns, and transportation costs. The algorithm aggregates passengers traveling between identical origin-destination pairs, factoring in individual-specific metrics, such as value of time and alternative mode options, to generate high load factors on UAM aircraft. The computational framework simulates passenger mode-choice selections using an effective-cost approach to determine the number of ridesharing UAM-preferred trips, and results with ridesharing are representative of a rough upper bound on UAM ridership potential for a given metro area. A case study in the Cleveland metro area is presented to demonstrate the algorithm and assess ridesharing potential.

advanced air mobility↗
NASA NTRSDate not supplied

Passenger Aggregation Network with Very Efficient Listing (PANVEL) Ridesharing Model for Urban Air Mobility

This presentation introduces a ridesharing model useful for examining the role of ridesharing in advancing Urban Air Mobility (UAM) operations. Although the success of UAM will likely require a host of new technologies in aircraft design, airspace management, autonomy, and more, operational innovations like ridesharing may also be key, especially to lower operating costs and attract a broader market. The ridesharing algorithm introduced, termed the Passenger Aggregation Network with Very Efficient Listing (PANVEL) model, estimates trip numbers and passenger occupancy aboard particular aircraft within a UAM network in a metropolitan area. This algorithm is applied within a transportation computational framework to determine the impact of ridesharing on mode choice, passenger travel patterns, and transportation costs. The algorithm aggregates passengers traveling between identical origin-destination pairs, factoring in individual-specific metrics, such as value of time and alternative mode options, to generate high load factors on UAM aircraft. The computational framework simulates passenger mode-choice selections using an effective-cost approach to determine the number of ridesharing UAM-preferred trips, and results with ridesharing are representative of a rough upper bound on UAM ridership potential for a given metro area. A case study in the Cleveland metro area is presented to demonstrate the algorithm and assess ridesharing potential.

advanced air mobility↗
DOE OSTI2023

Polarization-controlled volatile ferroelectric and capacitive switching in Sn 2 P 2 S 6

Abstract Smart electronic circuits that support neuromorphic computing on the hardware level necessitate materials with memristive, memcapacitive, and neuromorphic- like functional properties; in short, the electronic response must depend on the voltage history, thus enabling learning algorithms. Here we demonstrate volatile ferroelectric switching of Sn 2 P 2 S 6 at room temperature and see that initial polarization orientation strongly determines the properties of polarization switching. In particular, polarization switching hysteresis is strongly imprinted by the original polarization state, shifting the regions of non-linearity toward zero-bias. As a corollary, polarization switching also enables effective capacitive switching, approaching the sought-after regime of memcapacitance. Landau–Ginzburg–Devonshire simulations demonstrate that one mechanism by which polarization can control the shape of the hysteresis loop is the existence of charged domain walls (DWs) decorating the periphery of the repolarization nucleus. These walls oppose the growth of the switched domain and favor back-switching, thus creating a scenario of controlled volatile ferroelectric switching. Although the measurements were carried out with single crystals, prospectively volatile polarization switching can be tuned by tailoring sample thickness, DW mobility and electric fields, paving way to non-linear dielectric properties for smart electronic circuits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Best of both worlds: Enforcing detailed balance in machine learning models of transition rates

The slow microstructural evolution of materials often plays a key role in determining material properties. When the unit steps of the evolution process are slow, direct simulation approaches such as molecular dynamics become prohibitive and Kinetic Monte-Carlo (kMC) algorithms, where the state-to-state evolution of the system is represented in terms of a continuous-time Markov chain, are instead frequently relied upon to efficiently predict long-time evolution. The accuracy of kMC simulations however relies on the complete and accurate knowledge of reaction pathways and corresponding kinetics. This requirement becomes extremely stringent in complex systems such as concentrated alloys where the astronomical number of local atomic configurations makes the a priori tabulation of all possible transitions impractical. Machine learning models of transition kinetics have been used to mitigate this problem by enabling the efficient on-the-fly prediction of kinetic parameters. While conventional KMC methods based on transition state theory naturally yield reversible dynamics that exactly obey the detailed balance criterion, providing strong guarantees on the properties of the stationary distribution, many recently-proposed ML-based approaches to barrier predictions provide no such guarantees. In this study, we derive conditions under which physics-informed ML architectures exactly enforce the detailed balance condition by construction, even when relying on non-extensive descriptions of states in terms of local environments around mobile defects. In conclusion, using the diffusion of a vacancy in a concentrated alloy as an example, we show that such ML architectures also exhibit superior performance in terms of prediction accuracy, demonstrating that the imposition of physical constraints can facilitate the accurate learning of barriers at no increase in computational cost.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Quantifying uncertainty in the process-structure relationship for Al–Cu solidification

Phase field method (PFM) is a simulation tool to predict microstructural evolution during solidification and is helpful to establish the process-structure relationship for alloys. The robustness of the relationship however is affected by model-form and parameter uncertainties in PFM. In this paper, the uncertainty associated with the thermodynamic and process parameters of PFM is studied and quantified. Surrogate modeling is used to interpolate four quantities of interests (QoIs), including dendritic perimeter, area, primary arm length, and solute segregation, as functions of thermodynamic and process parameters. A sparse grid approach is applied to mitigate the curse-of-dimensionality computational burden in uncertainty quantification. Polynomial chaos expansion is employed to obtain the probability density functions of the QoIs. The effect of parameter uncertainty on the Al–Cu dendritic growth during solidification simulation are investigated. Here, the results show that the dendritic morphology varies significantly with respect to the interface mobility and the initial temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Oak Ridge National Laboratory's Strategic Research and Development Insights for Digital Twins

Oak Ridge National Laboratory (ORNL) is pleased to provide our response to the NITRD RFI on Digital Twins Research and Development. Digital twins are virtual representations of physical systems, leveraging real-time data to simulate and predict behaviors. ORNL is advancing digital twin technology across various disciplines, including neutron scattering, networking, science ecosystems, supercomputing, secure facilities, mobility technologies, materials design and discovery, power systems, fusion reactors, biological sciences, and earth observation. These efforts aim to enhance scientific research, operational efficiency, and decision-making processes. ORNL facilities, such as the High Flux Isotope Reactor (HFIR), Grid-C, Spallation Neutron Source (SNS), and Oak Ridge Leadership Computing Facility (OLCF), provide the infrastructure to develop and demonstrate these digital twin technologies. In this document, we lay out key challenges, research gaps, and future opportunities based on our experience with digital twins that aim to serve as useful contributions towards a National Digital Twins R&D Strategic Plan. In the remaining document, we address nine of the thirteen topic areas specified in the RFI.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Mars rover concept development

A structured study effort to develop an extensive, innovative set of mobility and navigation concepts for a planetary exploration vehicle along with the concomitant value system and evaluation tools is presented. A further objective is to submit these concepts to a rigorous, structured evaluation process to derive the most promising candidate systems. To support the evaluation process, a three-layer computer model of the Martian surface was developed, based on the 1/64 deg Digital Elevation Model (DEM) of Mars. Local surface roughness based on measured Martian slope distribution and power spectral density was superimposed on the DEM, and rocks based on Moore's distribution model were added. To assess performance, selected concepts were modeled using DADS, and simulations were run with the vehicle traversing the Martian surface model, including one-meter-high vertical steps and one-meter-wide crevasses. The design details of three promising candidate systems are presented, along with the discussion of their evolution with some recommendations.

Mctamaney, Louis S.↗
NASA NTRS1991

Improvement of program to calculate electronic properties of narrow band gap materials

The program was improved by reprogramming it so it will run on both a SUN and a VAX. Also it is easily transportable as it is on a disk for use on a SUN. A computer literature search resulted in some improved parameters for Hg(1-x)Cd(x)Te and a table of parameters for Hg(1-x)Zn(x)Te. The effects of neutral defects were added to the program, and it was found, as expected, that they contribute very little to the mobility at temperatures of interest. The effect were added of varying the following parameters: dielectric constants, screening parameters, disorder energies, donor and acceptor concentrations, momentum matrix element, different expressions for energy gap, and transverse effective charge.

Patterson, James D.↗
NASA NTRS1993

Historical MOBLAS system characterization

This paper is written as a direct response to the published NASA Laser Geodynamic Satellite (LAGEOS) orbital solution SL7.1, in order to close the data information loop with an emphasis on the NASA Mobile Laser Ranging System's (MOBLAS) LAGEOS full rate data since November 1, 1983. A preliminary analysis of the supporting information (i.e. satellite laser ranging system eccentricities and system dependent range and time bias corrections) contained in SL7.1 indicated centimeter (cm) level discrepancies. In addition, a preliminary analysis of the computed monthly MOBLAS range biases from SL7.1 appear to show cm level systematic trends, some of which appear to be 'real', particularly in the 1984 to 1987 time period. This paper is intended to be a reference document for known MOBLAS systematic errors (magnitude and direction) and for supporting MOBLAS information (eccentricities, hardware configurations, and potential data problem periods). Therefore, this report is different than your typical system characterization report, but will be more valuable to the user. The MOBLAS error models and supporting information contained in this paper will be easily accessible from the Crustal Dynamics Data Information System (CDDIS).

Husson, Van S.↗