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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Structural and Electrochemical Impacts of Mg/Mn Dual Dopants on the LiNiO 2 Cathode in Li-Metal Batteries

Doping chemistry has been regarded as an efficient strategy to overcome some fundamental challenges facing the “no-cobalt” LiNiO 2 cathode materials. By utilizing the doping chemistry, we evaluate the battery performance and structural/chemical reversibility of a new no-cobalt cathode material (Mg/Mn-LiNiO 2 ). The unique dual dopants drive Mg and Mn to occupy the Li site and Ni site, respectively. We report the Mg/Mn-LiNiO 2 cathode delivers smooth voltage profiles, enhanced structural stability, elevated self-discharge resistance, and inhibited nickel dissolution. As a result, the Mg/Mn-LiNiO 2 cathode enables improved cycling stability in lithium metal batteries with the conventional carbonate electrolyte: 80% capacity retention after 350 cycles at C /3, and 67% capacity retention after 500 cycles at 2 C (22 °C). We then take the Mg/Mn-LiNiO 2 as the platform to investigate the local structural and chemical reversibility, where we identify that the irreversibility takes place starting from the very first cycle. The highly reactive surface induces the surface oxygen loss, metal reduction reaching the subsurface, and metal dissolution. Our data demonstrate that the dual dopants can, to some degree, mitigate the irreversibility and improve the cycling stability of LiNiO 2 , but more efforts are needed to eliminate the key challenges of these materials for battery operation in the conventional carbonate electrolyte.

25 ENERGY STORAGE↗
DOE OSTI2020

Inertial dynamics of an interface with interfacial mass flux: Stability and flow fields’ structure, inertial stabilization mechanism, degeneracy of Landau’s solution, effect of energy fluctuations, and chemistry-induced instabilities

This work focuses on the long-standing problem of inertial dynamics of an interface with interfacial mass flux and reports new mechanisms for the interface stabilization and destabilization. The interface is a phase boundary separating fluids of different densities and having interfacial mass flux. To analyze the interface dynamics from a far field, we develop and apply the general matrix method to rigorously solve the boundary value problem involving the governing equations in the fluid bulk and the boundary conditions at the interface and at the outside boundaries of the domain. We find the fundamental solutions for the linearized system of equations and analyze the interplay of interface stability with flow fields’ structure by directly linking rigorous mathematical attributes to physical observables. We find that the interface is stable when the dynamics conserves the fluxes of mass, momentum, and energy; the stabilization is due to an inertial mechanism causing small oscillations of the interface velocity. In the classic Landau’s dynamics, the postulate of perfect constancy of the interface velocity leads to the development of Landau–Darrieus instability. This destabilization is also linked to the imbalance of the perturbed energy at the interface. The classic Landau’s solution is found to have degeneracy; lifting of the degeneracy may lead to singularity and self-similar dynamics. Our results compare well with traditional theories of combustion and propose new experiments to study the dynamics of the interface and the flow fields in combustible systems. We further conduct reactive molecular dynamics simulations to elucidate the complexity of chemical processes, to study the destabilizing effect of energy fluctuations on the interface stability, and to illustrate the chemistry-induced instabilities. In summary, we identify the extreme sensitivity of the interface dynamics to the interfacial boundary conditions, including the formal properties of fundamental solutions and the qualitative and quantitative properties of the flow fields. This provides new opportunities for studies, diagnostics, and control of multiphase flows in a broad range of processes in nature and technology.

42 ENGINEERING↗
DOE OSTI2020

KENO-VI Primer: Performing Calculations using SCALE’s Criticality Safety Analysis Sequence (CSAS6) with Fulcrum

The SCALE code system developed at Oak Ridge National Laboratory is widely used and accepted around the world for criticality safety analysis. The well-known KENO-VI three-dimensional Monte Carlo criticality computer code is one of the primary criticality safety analysis tools in SCALE. The KENO-VI primer is designed to help a new user understand and use the SCALE/KENO-VI Monte Carlo code for nuclear criticality safety analysis. It assumes that the user has a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with SCALE/KENO-VI in particular. The primer is designed to teach by example, with each example illustrating two or three features of SCALE/KENO-VI that are useful in criticality analysis. The primer is based on SCALE 6.2 and 6.3, which includes the Fulcrum graphical user interface. Each example uses Fulcrum to provide the framework for preparing input data and viewing output results. Starting with a Quickstart section, the primer gives an overview of the basic requirements for SCALE/KENO-VI input and allows the user to quickly run a simple criticality problem with SCALE/KENO-VI. Each following section begins with a list of basic objectives identifying the goal of the section and the individual SCALE/KENO-VI features covered in detail in the section’s sample problems. Upon completion of the primer, a new user should be comfortable using Fulcrum to set up criticality problems in SCALE/KENO-VI. The primer provides a starting point for the criticality safety analyst who uses SCALE/KENO-VI. Complete descriptions are provided in the SCALE/KENO-VI manual. Although the primer is self-contained, it is intended as a companion volume to the SCALE/KENO-VI training and documentation. The SCALE manual and training schedule are available at https://scale.ornl.gov. The primer provides specific examples of using SCALE/KENO-VI for criticality analysis; the SCALE/KENO-VI manual provides information on the use of SCALE/KENO-VI and all its modules. The primer also contains an appendix with sample input files. In addition, this primer, its errata, and sample inputs are also available at https://code.ornl.gov/scale/primers/kenovi/.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

The X-ray spectrum of Tycho

Baade (1945) has identified Tycho's supernova (SN) of A.D. 1572 as Type I, taking into account an analysis of the light curve recorded by Tycho. However, in spite of the obvious interest of Tycho's spectrum, to date the spectrum remains poorly understood. The present study is concerned with a reevaluation of the X-ray spectrum of Tycho. Attention is given to detailed nonequilibrium calculations and a self-consistent hydrodynamic model for ejecta consisting of pure heavy elements moving into a uniform external medium. The model provides a satisfactory fit to the spectrum, and avoids any requirement for a large mass of material in Tycho. It is demonstrated that the observed iron line emission is compatible with the presence of perhaps 0.7 solar mass of iron, of which 0.3 solar mass is shocked.

Hamilton, A. J. S.↗
NASA NTRS1995

Development of a miniature actuator/controller system

Development of new products is often hampered or prevented by the cost and resource commitments required by a traditional engineering approach. Schaeffer Magnetics, Inc. identified the potential need for a miniature incremental actuator with an integrated controller but did not want the development to be subject to the obstacles inherent in the traditional approach. In response a new approach - the Pathfinder Engineering Program (PEP) - was developed to streamline new product generation and improve product quality. The actuator/controller system resulting from implementation of this new procedure is an exceptionally compact and self-contained device with many applications.

Stanley, Scott P.↗
NASA NTRS2020

Electromagnetic Compatibility Test and Analysis Campaign of NASA's Mars 2020 Rover Final Submission

NASA's Mars 2020 Perseverance Rover—with a launch window opening July 2020, and landing expected February 2021—has mission objectives to look for evidence of habitability, seek biosignatures of past life, collect and cache samples for possible future return to Earth, and prepare for future human missions to Mars. The Rover platform is similar to the previous Mars Science Laboratory (MSL) “Curiosity” rover that landed in 2012 but contains a new suite of scientific instruments and upgrades to existing functionality: seven new and/or upgraded scientific payloads, an upgraded arm and sampling system, and a Helicopter demonstration. These changes—along with new efficiency goals to operate more Rover subsystems concurrently and thus collect more science—presented new electromagnetic compatibility (EMC) challenges. In this paper, we will describe the campaign to ensure Mars 2020 mission success from an electromagnetic environment perspective: 1) confirming existing MSL heritage subsystems and EMC requirements were compatible with the new Mars 2020 mission objectives, 2) engaging with engineers and scientists early in the project to identify and evaluate risks before hardware assembly and performing ambitious risk reduction tests, 3) undertaking a comprehensive subsystem qualification test program based on tailored MIL-STD-461F requirements, occasionally leading to redesign, 4) synthesizing the data collected to perform detailed analyses toward the goal of making risk-informed decisions at a system level. The spacecraft successfully completed all three planned system level tests, demonstrating self-compatibility with minimal impact to operations from electromagn

Gonzales, Edward C↗
DOE OSTI2024

A New Simple-to-Configure Self-Perturbing Multivariable Extremum-Seeking Controller

This paper presents a new stochastic relay-based extremum-seeking controller (ESC) for multi-input-single-output (MISO) systems. The algorithm was developed with the goal of simplifying configuration to enable easier deployment to real-world problems. A solution is developed first for a static map and then adapted for a general class of dynamic systems. The number of configurable parameters is one per input channel for the static case and only one additional parameter is needed for the dynamic version. The problem of gradient identifiability is solved via the use of stochastic relay gains and a simple stability proof for the static case is presented. Simulation tests demonstrate the performance of the strategy for optimizing both static and dynamic systems.

Salsbury, Timothy [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2024

A simulation study of the ability to detect power distribution perturbations in the texas A&M TRIGA reactor with self-powered neutron detectors

Given the variety of ways that nuclear reactor core power may be perturbed, reactor operators and developers are keen on understanding the accuracy and convergence time during which perturbations in reactor power distribution may be synthesized (i.e., inferred) from an array of in-core radiation detectors. A simulation study was conducted as described herein using a highly detailed model of the Texas A&M Training, Research, Isotopes, General Atomics Reactor, in which an array of self-powered neutron detectors (SPNDs) was considered for input to the power synthesis methodology. The core power synthesis is conducted using a point-based iterative method with an iterative loop built in to ensure working equation consistency. The forward problem of SPND response to simulated perturbations in reactor power was solved for Gaussian peak-type perturbations in the reactor power distribution. These perturbations varied in variance, amplitude, and core location to assess their impact on synthesis error and to determine the number of iterations required for convergence. A relation between the unique resolvability limit and perturbation width was identified such that the maximum synthesis error increased rapidly when the peak width went beneath this limit (a width approximating half the reactor’s fuel pin-to-pin pitch); this resolvability limit is specific to the SPND configuration and fuel segmentation considered herein. The synthesis error increased linearly with perturbation peak amplitude, whereas the convergence time increased nonlinearly. Perturbations located closer to the center of the core were synthesized more accurately, albeit with a higher number of required iterations. These findings provide a qualitative and quantitative understanding of the accuracy and speed at which different types of spatial power perturbations can be resolved in light-water reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Conformational Panorama and Chirality Controlled Structure–Energy Relationship in a Chiral Carboxylic Acid Dimer

Chirality recognition in dimers of tetrahydro-2-furoic acid (THFA) was studied in a conformer-specific manner using rotational spectroscopy and theoretical approaches. THFA shows a strong preference for the trans- over the cis-COOH configuration. Two drastically different scenarios are possible for the detectable (THFA) 2 : a kinetically preferred dimer bound by feeble interactions between two trans-THFAs or a thermodynamically favored dimer with a double hydrogen-bonded ring structure between two cis subunits. To identify the conformers responsible for the extremely dense rotational spectra observed, it was essential not only to locate several hundred homo/heterochiral (THFA) 2 minima in ab initio calculations but also to evaluate the energetic connectivities among the minima. The study further reveals an interesting chirality dependent structure-energy ordering relationship. A method for enantiomeric excess (ee) determination of THFA is presented using a recently proposed chiral self-tag approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A New Proof That the Number of Linear Elastic Symmetries in Two Dimensions Is Four

In this work, we present an elementary and self-contained proof that there are exactly four symmetry classes of the elasticity tensor in two dimensions: oblique, rectangular, square, and isotropic. In two dimensions, orthogonal transformations are either reflections or rotations. The proof is based on identification of constraints imposed by reflections and rotations on the elasticity tensor, and it simply employs elementary tools from trigonometry, making the proof accessible to a broad audience. For completeness, we identify the sets of transformations (rotations and reflections) for each symmetry class and report the corresponding equations of motions in classical linear elasticity.

42 ENGINEERING↗
NASA NTRS1984

Two multifrequency observations of 3C 371

Observations of 3C371 made at frequencies from the radio to the ultraviolet and coordinated during two short time intervals separated by 3 months are presented. Also presented are 1 keV X-ray flux densities measured at a different time. The multifrequency measurements indicate spectral steepening at visual wavelengths, and that an extrapolation of the ultraviolet continuum falls below the X-ray data. The infrared through X-ray data is explained as relativistically beamed synchrotron self-Compton emission, and source parameters are derived for two possible models. The present ultraviolet spectra both show strong Lyman-alpha emission at the same redshift as weak optical emission lines reported previously. Production of these lines by recombination of gas, after its ionization by the ultraviolet to X-ray continuum radiation, is favored as an explanation. C IV and N V absorption lines are tentatively identified in one ultraviolet spectrum, which, if real, suggest the presence of a hot (about 300,000 K) gaseous halo in 3C 371.

Puschell, J. J.↗
NASA NTRS1993

Spatiotemporal behavior and nonlinear dynamics in a phase conjugate resonator

The work described can be divided into two parts. The first part is an investigation of the transient behavior and stability property of a phase conjugate resonator (PCR) below threshold. The second part is an experimental and theoretical study of the PCR's spatiotemporal dynamics above threshold. The time-dependent coupled wave equations for four-wave mixing (FWM) in a photorefractive crystal, with two distinct interaction regions caused by feedback from an ordinary mirror, was used to model the transient dynamics of a PCR below threshold. The conditions for self-oscillation were determined and the solutions were used to define the PCR's transfer function and analyze its stability. Experimental results for the buildup and decay times confirmed qualitatively the predicted behavior. Experiments were carried out above threshold to study the spatiotemporal dynamics of the PCR as a function of Pragg detuning and the resonator's Fresnel number. The existence of optical vortices in the wavefront were identified by optical interferometry. It was possible to describe the transverse dynamics and the spatiotemporal instabilities by modeling the three-dimensional-coupled wave equations in photorefractive FWM using a truncated modal expansion approach.

Liu, Siuying Raymond↗
NASA NTRS1996

Transonic Shock Oscillations and Wing Flutter Calculated with an Interactive Boundary Layer Coupling Method

A viscous-inviscid interactive coupling method is used for the computation of unsteady transonic flows involving separation and reattachment. A lag-entrainment integral boundary layer method is used with the transonic small disturbance potential equation in the CAP-TSDV (Computational Aeroelasticity Program - Transonic Small Disturbance) code. Efficient and robust computations of steady and unsteady separated flows, including steady separation bubbles and self-excited shock-induced oscillations are presented. The buffet onset boundary for the NACA 0012 airfoil is accurately predicted and shown computationally to be a Hopf bifurcation. Shock-induced oscillations are also presented for the 18 percent circular arc airfoil. The oscillation onset boundaries and frequencies are accurately predicted, as is the experimentally observed hysteresis of the oscillations with Mach number. This latter stability boundary is identified as a jump phenomenon. Transonic wing flutter boundaries are also shown for a thin swept wing and for a typical business jet wing, illustrating viscous effects on flutter and the effect of separation onset on the wing response at flutter. Calculations for both wings show limit cycle oscillations at transonic speeds in the vicinity of minimum flutter speed indices.

Edwards, John W.↗
NASA NTRS2003

Gene Expression Dynamics Inspector (GEDI): for integrative analysis of expression profiles

Genome-wide expression profiles contain global patterns that evade visual detection in current gene clustering analysis. Here, a Gene Expression Dynamics Inspector (GEDI) is described that uses self-organizing maps to translate high-dimensional expression profiles of time courses or sample classes into animated, coherent and robust mosaics images. GEDI facilitates identification of interesting patterns of molecular activity simultaneously across gene, time and sample space without prior assumption of any structure in the data, and then permits the user to retrieve genes of interest. Important changes in genome-wide activities may be quickly identified based on 'Gestalt' recognition and hence, GEDI may be especially useful for non-specialist end users, such as physicians. AVAILABILITY: GEDI v1.0 is written in Matlab, and binary Matlab.dll files which require Matlab to run can be downloaded for free by academic institutions at http://www.chip.org/~ge/gedihome.html Supplementary information: http://www.chip.org/~ge/gedihome.html.

Database Management Systems↗
NASA NTRS2010

Launch Pad Coatings for Smart Corrosion Control

Corrosion is the degradation of a material as a result of its interaction with the environment. The environment at the KSC launch pads has been documented by ASM International (formerly American Society for Metals) as the most corrosive in the US. The 70 tons of highly corrosive hydrochloric acid that are generated by the solid rocket boosters during a launch exacerbate the corrosiveness of the environment at the pads. Numerous failures at the pads are caused by the pitting of stainless steels, rebar corrosion, and the degradation of concrete. Corrosion control of launch pad structures relies on the use of coatings selected from the qualified products list (QPL) of the NASA Standard 5008A for Protective Coating of Carbon Steel, Stainless Steel, and Aluminum on Launch Structures, Facilities, and Ground Support Equipment. This standard was developed to establish uniform engineering practices and methods and to ensure the inclusion of essential criteria in the coating of ground support equipment (GSE) and facilities used by or for NASA. This standard is applicable to GSE and facilities that support space vehicle or payload programs or projects and to critical facilities at all NASA locations worldwide. Environmental regulation changes have dramatically reduced the production, handling, use, and availability of conventional protective coatings for application to KSC launch structures and ground support equipment. Current attrition rate of qualified KSC coatings will drastically limit the number of commercial off the shelf (COTS) products available for the Constellation Program (CxP) ground operations (GO). CxP GO identified corrosion detection and control technologies as a critical, initial capability technology need for ground processing of Ares I and Ares V to meet Constellation Architecture Requirements Document (CARD) CxP 70000 operability requirements for reduced ground processing complexity, streamlined integrated testing, and operations phase affordability. Researchers at NASA's Corrosion Technology Laboratory at KSC are developing a smart, environmentally friendly coating system for early corrosion detection, inhibition, and self healing of mechanical damage without external intervention. This smart coating will detect and respond actively to corrosion and mechanical damage such as abrasion and scratches, in a functional and predictable manner, and will be capable of adapting its properties dynamically. This coating is being developed using corrosion sensitive microcapsules that deliver the contents of their core (corrosion inhibiting compounds, corrosion indicators, and self healing agents) on demand when corrosion or mechanical damage to the coating occurs.

Calle, Luz M.↗
NASA NTRS2020

Electromagnetic Compatibility Test and Analysis Campaign of NASA's Mars 2020 Rover

NASA's Mars 2020 Rover—with a launch window opening July 2020, and landing expected February 2021—has mission objectives to look for evidence of habitability, seek biosignatures of past life, collect and cache samples for possible future return to Earth, and prepare for future human missions. The Rover platform is similar to the previous Mars Science Laboratory (MSL) “Curiosity” rover that landed in 2012 but contains a new suite of scientific instruments and upgrades to existing functionality. The scientific payload includes a trio of chemical analysis tools (PIXL, SHERLOC, SuperCam), a ground penetrating radar (RIMFAX), an upgraded weather station (MEDA), upgraded high resolution camera (MastCam-Z), and an oxygen-producing experiment (MOXIE). These changes—along with new efficiency goals to operate more Rover subsystems concurrently and thus collect more science—presented new electromagnetic compatibility (EMC) challenges. In this paper, we will describe the campaign to ensure Mars 2020 mission success from an electromagnetic environment perspective: 1) confirming existing MSL heritage subsystems and EMC requirements were compatible with the new Mars 2020 mission objectives, 2) engaging with engineers and scientists early in the project to identify and evaluate risks before hardware assembly and performing ambitious risk reduction tests, 3) undertaking a comprehensive subsystem qualification test program based on tailored MIL-STD-461F requirements, occasionally leading to redesign, 4) synthesizing the data collected to perform detailed analyses toward the goal of making risk-informed decisions at a system level. The spacecraft has successfully completed all three planned system level tests, demonstrating self-compatibility with minimal impact to operations from electromagnetic interference in all mission phases.

Gonzales, Edward C↗
DOE OSTI2021

Identifying the Catalytic Active Site for Propylene Metathesis by Supported ReO x Catalysts

A series of supported ReO x catalysts were investigated that allowed identifying the unique surface anchoring sites on oxide supports responsible for activating the surface ReO 4 sites for propylene metathesis (the catalytic active site). The catalysts were synthesized by incipient-wetness impregnation of aqueous HReO 4 onto the oxide supports (Al 2 O 3 , ZrO 2 , TiO 2 , SiO 2 and CeO 2 ), characterized under dehydrated and propylene metathesis reaction conditions with in situ spectroscopy (Raman, DRIFTS, UV-Vis and NAP-XPS), and chemically probed (CH 3 CH=CH 2 -TPSR, CH 2 =CH 2 /CH 3 CH=CHCH 3 titration and steady-state self-metathesis of propylene to ethylene and 2-butene). The initially calcined supported rhenia species anchor as isolated surface Re 7+ O 4 sites on the oxide supports by reacting with the surface hydroxyls (terminal S-OH, bridged S-OH-S and tricoordinated S 3 -OH) of the oxide supports. The specific oxide support was found to control the number of activated sites (Al 2 O 3 >> ZrO 2 > CeO 2 > TiO 2 > SiO 2 ) and propylene metathesis activity (Al 2 O 3 >> ZrO 2 >> TiO 2 ~ CeO 2 ~ SiO 2 ) revealing that the oxide support action is a potent ligand for the surface ReO x sites. The activation and specific activity of the surface ReO x sites depend on several factors (nature of surface hydroxyls (S 3 -OH > S-OH-S > S-OH), coordination of the oxide support surface cation (ZrO 7 , AlO 6 , CeO 4 ) and electronegativity of the oxide support cation (SiO 2 > Al 2 O 3 > TiO 2 > ZrO 2 > CeO 2 ). No relationships exist between olefin metathesis activity and acid strength of surface Lewis and Brønsted sites. Here, prior studies primarily focused on supported ReO x /Al 2 O 3 and the lack of examination of non-Al 2 O 3 supported rhenia catalysts precluded comparison between efficient and inefficient olefin metathesis catalysts, which prevented identifying the catalytic active site for olefin metathesis by supported ReO x catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Defects in Layered van der Waals Heterostructures: Implications for Thermoelectrics

Layered van der Waals heterostructures provide extraordinary opportunities for applications such as thermoelectrics and allow for tunability of optical and electronic properties. The performance of devices made from these heterostructures will depend on their properties, which are sensitive to the nanoarchitecture (constituent layer thicknesses, layer sequence, etc.). However, performance will also be impacted by defects, which will vary in concentration and identity with the nanoarchitecture and preparation conditions. Here, we identify several types of defects and propose mechanisms for their formation, focusing on compounds in the ([SnSe] 1+δ ) m (TiSe 2 ) n system prepared using the modulated elemental reactants method. The defects were observed by atomic resolution high-angle annular dark-field scanning transmission electron microscopy and can be broadly categorized into those that form domain boundaries as a result of rotational disorder from the self-assembly process and those that are layer-thickness-related and result from local or global deviations in the amount of material deposited. Furthermore, defect type and density were found to depend on the nanoarchitecture of the heterostructure. Categorizing the defects provides insights into defect formation in these van der Waals layered heterostructures and suggests strategies for controlling their concentrations. Strategies for controlling defect type and concentration are proposed, which would have implications for transport properties for applications in thermoelectrics.

36 MATERIALS SCIENCE↗