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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Packaging - Materials review

Nowadays, a large number of different electrochemical energy storage systems are known. In the last two decades the development was strongly driven by a continuously growing market of portable electronic devices (e.g. cellular phones, lap top computers, camcorders, cameras, tools). Current intensive efforts are under way to develop systems for automotive industry within the framework of electrically propelled mobility (e.g. hybrid electric vehicles, plug-in hybrid electric vehicles, full electric vehicles) and also for the energy storage market (e.g. electrical grid stability, renewable energies). Besides the different systems (cell chemistries), electrochemical cells and batteries were developed and are offered in many shapes, sizes and designs, in order to meet performance and design requirements of the widespread applications. Proper packaging is thereby one important technological step for designing optimum, reliable and safe batteries for operation. In this contribution, current packaging approaches of cells and batteries together with the corresponding materials are discussed. The focus is laid on rechargeable systems for industrial applications (i.e. alkaline systems, lithium-ion, lead-acid). In principle, four different cell types (shapes) can be identified - button, cylindrical, prismatic and pouch. Cell size can be either in accordance with international (e.g. International Electrotechnical Commission, IEC) or other standards or can meet application-specific dimensions. Since cell housing or container, terminals and, if necessary, safety installations as inactive (non-reactive) materials reduce energy density of the battery, the development of low-weight packages is a challenging task. In addition to that, other requirements have to be fulfilled: mechanical stability and durability, sealing (e.g. high permeation barrier against humidity for lithium-ion technology), high packing efficiency, possible installation of safety devices (current interrupt device, valve, etc.), chemical inertness, cost issues, and others. Finally, proper cell design has to be considered for effective thermal management (i.e. cooling and heating) of battery packs.

25 ENERGY STORAGE↗
DOE OSTI2020

Changes in short- and medium-range order in metallic liquids during undercooling

It has been widely speculated that dominant motifs, such as short-range icosahedral order, can influence glass formation and the properties of glasses. Experimental data on both fragile and strong undercooled liquids demonstrate corresponding changes in their thermophysical properties consistent with increasing development of a network of interconnect motifs based on molecular dynamics. Describing these regions of local order, how they connect, and how they are related to property changes have been challenging issues, both computationally and experimentally. Yet the consensus is that metallic liquids develop interconnected medium-range order consisting of some regions with lower mobility with deeper undercooling. Less well understood is how these motifs (or “crystal genes”) in the liquid can inhibit nucleation in the deeply undercooled liquid or influence phase selection upon devitrification. These motifs tend to have local packing unlike stable compounds with icosahedral order tending to dominate the best glass formers. The underlying kinetic and thermodynamic forces that guide the formation of these motifs and how they interconnect during undercooling remain open questions.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Scene analysis for a breadboard Mars robot functioning in an indoor environment

The problem is delt with of computer perception in an indoor laboratory environment containing rocks of various sizes. The sensory data processing is required for the NASA/JPL breadboard mobile robot that is a test system for an adaptive variably-autonomous vehicle that will conduct scientific explorations on the surface of Mars. Scene analysis is discussed in terms of object segmentation followed by feature extraction, which results in a representation of the scene in the robot's world model.

Levine, M. D.↗
NASA NTRS2010

Ares I-X Post Flight Ignition Overpressure Review

Ignition Overpressure (IOP) is an unsteady fluid flow and acoustic phenomena caused by the rapid expansion of gas from the rocket nozzle within a ducted launching space resulting in an initially higher amplitude pressure wave. This wave is potentially dangerous to the structural integrity of the vehicle. An in-depth look at the IOP environments resulting from the Ares I-X Solid Rocket Booster configuration showed high correlation between the pre-flight predictions and post-flight analysis results. Correlation between the chamber pressure and IOP transients showed successful acoustic mitigation, containing the strongest IOP waves below the Mobile Launch Pad deck. The flight data allowed subsequent verification and validation of Ares I-X unsteady fluid ducted launcher predictions, computational fluid dynamic models, and strong correlation with historical Shuttle data.

Alvord, David A.↗
NASA NTRS2020

Computational Study of NASA's Quadrotor Urban Air Taxi Concept

High-fidelity computational fluid dynamics simulations have been carried out in order to analyze NASA's quadrotor urban air taxi concept for urban air mobility, also know as on-demand mobility applications. High-order accurate schemes, dual-time stepping, and the delayed detached-eddy simulation model have been employed. The ow solver has been loosely coupled with a rotorcraft comprehensive analysis code. The vehicle simulated is a six-passenger quadrotor for air taxi operations. A study of power reduction as a function of the rear-rotor to front-rotors vertical separation has been performed, for a quad-rotor without the airframe, in cruise flight conditions. Then, the quadrotor without the airframe has been simulated in hover. The airloads and wake geometries are analyzed. To finish the study the complete quadrotor vehicle is presented. NASA's quadrotor air taxi concept is one of the many concepts being developed by NASA in support of aircraft development for vertical take-o and landing air taxi operations.

Ventura Diaz, Patricia↗
DOE OSTI2018

Multilevel Semantic Labeling of Mobile Homes from Overhead Imagery

Finding where people live and the vulnerabilities of man-made facilities during natural disasters, is not only critical for rescue efforts, but also essential for damage assessment in the aftermath. Leveraging on the availability of high resolution satellite imagery, advances in machine learning and high performance computing hardware, it is now possible to generate geographical maps for man-made facilities at scale. Mapping from satellite imagery can be a daunting task due to the enormous amount of data to be processed over large areas. In this short paper we take advantage of annotated satellite imagery and automate the semantic labeling of mobile home parks using an efficient framework rooted in patch-based and pixel-level classification. This multilevel labeling effort is a precursor to our future goal for deploying very large scale deep convolutional neural networks toward both broad and finer characterization of man-made structures from one-meter resolution NAIP images.

Lunga, Dalton↗
DOE OSTI2022

Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors

KRAS has long been referred to as an ‘undruggable’ target due to its high affinity for its cognate ligands (GDP and GTP) and its lack of readily exploited allosteric binding pockets. Recent progress in the development of covalent inhibitors of KRAS G12C has revealed that occupancy of an allosteric binding site located between the α3-helix and switch-II loop of KRAS G12C —sometimes referred to as the ‘switch-II pocket’—holds great potential in the design of direct inhibitors of KRAS G12C . In studying diverse switch-II pocket binders during the development of sotorasib (AMG 510), the first FDA-approved inhibitor of KRAS G12C , we found the dramatic conformational flexibility of the switch-II pocket posing significant challenges toward the structure-based design of inhibitors. Here, we present our computational approaches for dealing with receptor flexibility in the prediction of ligand binding pose and binding affinity. For binding pose prediction, we modified the covalent docking program CovDock to allow for protein conformational mobility. This new docking approach, termed as FlexCovDock, improves success rates from 55 to 89% for binding pose prediction on a dataset of 10 cross-docking cases and has been prospectively validated across diverse ligand chemotypes. For binding affinity prediction, we found standard free energy perturbation (FEP) methods could not adequately handle the significant conformational change of the switch-II loop. We developed a new computational strategy to accelerate conformational transitions through the use of targeted protein mutations. Using this methodology, the mean unsigned error (MUE) of binding affinity prediction were reduced from 1.44 to 0.89 kcal/mol on a set of 14 compounds. These approaches were of significant use in facilitating the structure-based design of KRAS G12C inhibitors and are anticipated to be of further use in the design of covalent (and noncovalent) inhibitors of other conformationally labile protein targets.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1989

Six-degree-of-freedom missile simulation using the ADI AD 100 digital computer and ADSIM simulation language

The use of an AD 100 computer and the ADSIM language in the six-degree-of-freedom digital simulation of an air-to-ground missile is illustrated. The missile is launched from a moving platform, typically a helicopter, and is capable of striking a mobile target up to 10 kilometers away. The missile could be any tactical missile. The performance numbers of the AD 100 show that it is possible to implement a high performance missile model in a real-time simulation without the problems associated with an implementation on a general purpose computer using FORTRAN.

Zwaanenburg, Koos↗
DOE OSTI2020

Non-dilute helium-related defect interactions in the near-surface region of plasma-exposed tungsten

We report a systematic energetic analysis of helium-related defect interactions that mediate helium (He) segregation on surfaces of plasma-exposed tungsten at different levels of He ion implantation. We focus on high He fluences that increase the He content in the plasma-exposed material well beyond the dilute limit of He concentration and employ atomic configurations generated by large-scale molecular dynamics simulations of He-implanted tungsten. We perform systematic molecular statics computations of cluster– defect interaction energetics in the highly defect-rich near-surface region of plasma-exposed tungsten for small mobile helium clusters as a function of the cluster distance from the surface. In this region, mobile clusters are also subjected to the stress fields generated by defects such as helium bubbles and other clusters, which govern cluster–defect interactions in addition to the cluster–surface interaction. Based on systematic investigation of individual cluster–defect interactions, we develop a mathematical framework to describe the interaction energy landscapes consisting of elastic interaction potential perturbations to finite-width square-well potentials, where the potential well accounts for cluster trapping by the defect at close range and subsequent coalescence and the perturbation potential is parameterized according to elastic inclusion theory. Superposition of all the relevant interaction potentials provides a comprehensive description of the interaction energy landscape that would be experienced by a small mobile cluster along its migration path toward the plasma-exposed surface at high He fluence. Such descriptions are particularly important for developing atomistically-informed, hierarchical multi-scale models of helium cluster dynamics in plasma-facing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

NeoN: Neuromorphic Control for Autonomous Robotic Navigation

In this paper we describe the use of a new neuromorphic computing framework to implement the navigation system for a roaming, obstacle avoidance robot. Using a Dynamic Adaptive Neural Network Array (DANNA) structure, our TENNLab (Laboratory of Tennesseans Exploring Neural Networks) hardware/software co-design framework and evolutionary optimization (EO) as the training algorithm, we create, train, implement, and test a spiking neural network autonomous robot control system using an array of neuromorphic computing elements built on an FPGA. The simplicity and flexibility of the DANNA neuromorphic computing elements allow for sufficient scale and connectivity on a Xilinx Kintex-7 FPGA to support sensory input and motor control for a mobile robot to navigate a dynamically changing environment. We further describe how more complex capabilities can be added using the same platform, e.g. object identification and tracking.

Mitchell, J. Parker↗
DOE OSTI2024

Atomic-level mechanisms of short-circuit diffusion in materials

This paper reviews the recent progress in understanding the atomic mechanisms of short-circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well as lattice and interfacial dislocations/disconnections. Recent atomistic computer simulations have shown that short-circuit diffusion is dominated by collective atomic rearrangements in the form of strings and rings of mobile atoms. The process is dynamically heterogeneous in space and time and has many features in common with atomic dynamics in supercooled glass-forming liquids. We discuss examples of grain boundary, interphase boundary, and dislocation diffusion in metals and alloys, including the solute effect on the diffusion rates and mechanisms. Interphase boundaries are exemplified by Al–Si interfaces with diverse orientation relationships and atomic structures. The hierarchy of short-circuit diffusion paths in materials is reviewed by comparing the rates of grain boundary, interphase boundary, and dislocation diffusion. Future directions in the field of short-circuit diffusion in defect core regions are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Development of an Advanced Simulator to Model Mobility Control and Geomechanics during CO 2 Floods

The simulator is an isothermal, three-dimensional, four-phase, compositional, equation-of–state (EOS) simulator. We have named the simulator UTDOE-CO2 capable of simulating various recovery processes (i.e., primary, secondary waterflooding, and miscible and immiscible gas flooding). We include both the Peng-Robinson EOS and the Redlich-Kwong EOS models. A Gibbs stability test is also included in the model to perform a phase identification test to consistently label each phase for subsequent property calculations such as relative permeability, viscosity, density, interfacial tension, and capillary pressure. Our time step strategy is based on an IMPEC-type method (implicit pressure and explicit concentration). The gridblock pressure is solved first using the explicit dating of saturation-dependent terms. Subsequently, the material balance equations are solved explicitly for the total concentration of each component. The physical dispersion term is also included in the governing equations. The simulator includes (1) several foam model(s) for gas mobility control, (2) compositional relative permeability models with the hysteresis option, (3) corner point grid and several efficient solvers, (4) geomechanics module to compute stress field as the result of CO 2 injection/production, (5) the format of commercial visualization software, S3graf from Science-soft Ltd., was implemented for user friendly visualization of the simulation results. All tasks are completed and the simulator was fully tested and delivered to the DOE office including a user’s guide and several input files and the executable for Windows Pcs. We have published several SPE papers, presented several posters, and one MS thesis is completed (V. Pudugramam, 2013) resulting from this DOE funded project.

02 PETROLEUM↗
NASA NTRS1987

Effect of wave localization on plasma instabilities

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Levedahl, William Kirk↗
NASA NTRS2023

High-Fidelity Simulations of a Tiltwing Vehicle for Urban Air Mobility

NASA is playing an important role in the development of the urban air mobility ecosystem by identifying key research areas and establishing a fleet of conceptual reference vehicles for urban air mobility applications. This paper delves deeper into the study of NASA’s six-passenger tiltwing air taxi aerodynamics using high-fidelity computational fluid dynamics simulations. NASA’s OVERFLOW flow solver has been loosely-coupled with the rotorcraft comprehensive analysis code CAMRAD II. Dual-time stepping, high-order accurate schemes, and the delayed detached-eddy simulation are employed. The tiltwing configuration is analyzed in airplane and helicopter mode, with flight conditions representative of an air taxi mission. Airloads, wake geometry, and performance are studied to identify the unique flow features of this configuration. NASA’s tiltwing vehicle is one of the conceptual designs intended to focus and guide NASA’s research activities in support of aircraft development for vertical take-off and landing air taxi operations.

RVLT↗
NASA NTRS1993

A pattern jitter free AFC scheme for mobile satellite systems

This paper describes a scheme for pattern jitter free automatic frequency control (AFC) with a wide frequency acquisition range. In this scheme, equalizing signals fed to the frequency discriminator allow pattern jitter free performance to be achieved for all roll-off factors. In order to define the acquisition range, frequency discrimination characateristics are analyzed on a newly derived frequency domain model. As a result, it is shown that a sufficiently wide acquisition range over a given system symbol rate can be achieved independent of symbol timing errors. Additionally, computer simulation demonstrates that frequency jitter performance improves in proportion to E(sub b)/N(sub 0) because pattern-dependent jitter is suppressed in the discriminator output. These results show significant promise for applciation to mobile satellite systems, which feature relatively low symbol rate transmission with an approximately 0.4-0.7 roll-off factor.

Yoshida, Shousei↗
NASA NTRSDate not supplied

Ground Wind Loads on the Space Launch System’s Mobile Launcher Crew Access Arm

An aerodynamic database for the crew access arm during deployment is generated. While initial attempts used data derived from wind tunnel testing, limitations lead to the use of computational fluid dynamics to improve analysis. This computational data compared favorably to the experimental data increasing confidence in both. Further analysis lead to simplification showing the ability to build the database with a single relative wind variable which takes into account both arm deployment angle and wind direction. Eventually geometric simplifications and conservative results lead to the use of simulations of the CAA alone to build the database.Finally these static conditions are then compared to a dynamic simulation where the CAA rotates into position to test the quasi-steady state assumptions used to generate the database. The dynamic case showed an increase in the moment of interest but within acceptable bounds for now.

SLS↗
DOE OSTI2025

Effect of particle shape on stratification in drying films of binary colloidal mixtures

The role of particle shape in evaporation-induced auto-stratification in polydisperse colloidal suspensions is explored with molecular dynamics simulations of mixtures of spheres and aspherical particles. A unified framework based on the competition between diffusion and diffusiophoresis is proposed to understand the effects of shape and size dispersity. In general, particles diffusing more slowly (e.g., larger particles) tend to accumulate more strongly at the evaporation front. However, larger particles have larger surface areas and therefore greater diffusiophoretic mobility. Hence, they are more likely to be driven away from the evaporation front via diffusiophoresis. For a rapidly dried bidisperse suspension containing small and large spheres, the competition leads to “small-on-top” stratification. Here, we employ a computational model in which the diffusion coefficient is inversely proportional to particle mass. For a mixture of spheres and aspherical particles with similar mass, the diffusion contrast is reduced, and the spheres are always enriched at the evaporation front as they have the smallest surface area for a given mass and, therefore, the lowest diffusiophoretic mobility. Furthermore, for a mixture of solid and hollow spheres that have the same outer radius and thus the same surface area, the diffusiophoretic contrast is suppressed, and the system is dominated by diffusion. Consequently, the solid spheres, which have a larger mass and diffuse more slowly, accumulate on top of the hollow spheres. Finally, for a mixture of thin disks and long rods that differ significantly in shape but have similar mass and surface area, both diffusion and diffusiophoresis contrasts are suppressed, and the mixture does not stratify.

Classical molecular dynamic simulations↗