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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Structural tailoring of engine blades (STAEBL)

A mathematical optimization procedure was developed for the structural tailoring of engine blades and was used to structurally tailor two engine fan blades constructed of composite materials without midspan shrouds. The first was a solid blade made from superhybrid composites, and the second was a hollow blade with metal matrix composite inlays. Three major computerized functions were needed to complete the procedure: approximate analysis with the established input variables, optimization of an objective function, and refined analysis for design verification.

Platt, C. E.↗
NASA NTRS1988

Aircraft aeroelasticity and structural dynamics research at the NASA Langley Research Center - Some illustrative results

Highlights of nine different research studies are described. Five of these topics relate directly to fixed-wing aircraft and range from flutter studies using relatively simple and inexpensive wind-tunnel models to buffet studies of the vertical tails of an advanced high-performance configuration. The other four topics relate directly to rotary-wing aircraft and range from studies of the performance and vibration characteristics of an advanced rotor design to optimization of airframe structures for vibration attenuation.

Doggett, Robert V., Jr.↗
NASA NTRS1989

STRUTEX: A prototype knowledge-based system for initially configuring a structure to support point loads in two dimensions

Only recently have engineers begun making use of Artificial Intelligence (AI) tools in the area of conceptual design. To continue filling this void in the design process, a prototype knowledge-based system, called STRUTEX has been developed to initially configure a structure to support point loads in two dimensions. This prototype was developed for testing the application of AI tools to conceptual design as opposed to being a testbed for new methods for improving structural analysis and optimization. This system combines numerical and symbolic processing by the computer with interactive problem solving aided by the vision of the user. How the system is constructed to interact with the user is described. Of special interest is the information flow between the knowledge base and the data base under control of the algorithmic main program. Examples of computed and refined structures are presented during the explanation of the system.

Robers, James L.↗
NASA NTRS1989

Control of a flexible planar truss using proof mass actuators

A flexible structure was modeled and actively controlled by using a single space realizable linear proof mass actuator. The NASA/UVA/UB actuator was attached to a flexible planar truss structure at an optimal location and it was considered as both passive and active device. The placement of the actuator was specified by examining the eigenvalues of the modified model that included the actuator dynamics, and the frequency response functions of the modified system. The electronic stiffness of the actuator was specified, such that the proof mass actuator system was tuned to the fourth structural mode of the truss by using traditional vibration absorber design. The active control law was limited to velocity feedback by integrating of the signals of two accelerometers attached to the structure. The two lower modes of the closed-loop structure were placed further in the LHS of the complex plane. The theoretically predicted passive and active control law was experimentally verified.

Minas, Constantinos↗
NASA NTRS1978

A comparison of motor submodels in the optimal control model

Properties of several structural variations in the neuromotor interface portion of the optimal control model (OCM) are investigated. For example, it is known that commanding control-rate introduces an open-loop pole at S=O and will generate low frequency phase and magnitude characteristics similar to experimental data. However, this gives rise to unusually high sensitivities with respect to motor and sensor noise-ratios, thereby reducing the models' predictive capabilities. Relationships for different motor submodels are discussed to show sources of these sensitivities. The models investigated include both pseudo motor-noise and actual (system driving) motor-noise characterizations. The effects of explicit proprioceptive feedback in the OCM is also examined. To show graphically the effects of each submodel on system outputs, sensitivity studies are included, and compared to data obtained from other tests.

Lancraft, R. E.↗
NASA NTRS1990

Plasma-assisted physical vapor deposition surface treatments for tribological control

In any mechanical or engineering system where contacting surfaces are in relative motion, adhesion, wear, and friction affect reliability and performance. With the advancement of space age transportation systems, the tribological requirements have dramatically increased. This is due to the optimized design, precision tolerance requirements, and high reliability expected for solid lubricating films in order to withstand hostile operating conditions (vacuum, high-low temperatures, high loads, and space radiation). For these problem areas the ion-assisted deposition/modification processes (plasma-based and ion beam techniques) offer the greatest potential for the synthesis of thin films and the tailoring of adherence and chemical and structural properties for optimized tribological performance. The present practices and new approaches of applying soft solid lubricant and hard wear resistant films to engineering substrates are reviewed. The ion bombardment treatments have increased film adherence, lowered friction coefficients, and enhanced wear life of the solid lubricating films such as the dichalcogenides (MoS2) and the soft metals (Au, Ag, Pb). Currently, sputtering is the preferred method of applying MoS2 films; and ion plating, the soft metallic films. Ultralow friction coefficients (less than 0.01) were achieved with sputtered MoS2. Further, new diamond-like carbon and BN lubricating films are being developed by using the ion assisted deposition techniques.

Spalvins, Talivaldis↗
DOE OSTI2019

Half-Metallic Ferromagnetism Character in Cr-Doped CaS Diluted Magnetic Insulator and Semiconductor: an Ab Initio Study

The overall aim of this study is to investigate theoretically the structural, electronic, and magnetic properties of calcium sulfide (CaS) doped with chromium (Cr) impurity, in order to conduct a new search dilute magnetic semiconductors (DMS) suitable for different applications in electronics and spintronics. For measuring, the physical property of this compound is implemented using the first principles approach employed in WIEN2K code. The structural characteristics are optimized using the Generalized Gradient Approximation established by Perdew-Burk-Ernzerhof (PBE-GGA). We calculate and minimize the total energy of the three ternary compounds (Ca{sub 0.75}Cr{sub 0.25}S, Ca{sub 0.50}Cr{sub 0.50}S, and Ca{sub 0.25}Cr{sub 0.75}S) in the paramagnetic (PM), ferromagnetic (FM), and antiferromagnetic (AFM) phase. We find all compounds stable in (FM) structure, whereas the modified Becke and Johnson local density approximation (mBJ-LDA) functional has been employed to evaluate the electronic and magnetic properties. Based on our findings, indicate that this system revealed a half-metallic ferromagnetic behavior with half-metallic gap (HM) and 100% spin-polarized at the fermi level for all chromium (Cr) concentrations. This advantageous set of properties is due to the half-metallic behavior, where the majority spin and minority spin exhibit metallic and semiconducting behaviors respectively. The chromium atom is the most important source of the total magnetic moment in these compounds (4 μβ) by comparison with magnetic moments produced by Ca and S atoms, which have minor contribution. Finally, our prediction results require an experimental confirmation in the future.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2008

Optimized Non-Obstructive Particle Damping (NOPD) Treatment for Composite Honeycomb Structures

Non-Obstructive Particle Damping (NOPD) technology is a passive vibration damping approach whereby metallic or non-metallic particles in spherical or irregular shapes, of heavy or light consistency, and even liquid particles are placed inside cavities or attached to structures by an appropriate means at strategic locations, to absorb vibration energy. The objective of the work described herein is the development of a design optimization procedure and discussion of test results for such a NOPD treatment on honeycomb (HC) composite structures, based on finite element modeling (FEM) analyses, optimization and tests. Modeling and predictions were performed and tests were carried out to correlate the test data with the FEM. The optimization procedure consisted of defining a global objective function, using finite difference methods, to determine the optimal values of the design variables through quadratic linear programming. The optimization process was carried out by targeting the highest dynamic displacements of several vibration modes of the structure and finding an optimal treatment configuration that will minimize them. An optimal design was thus derived and laboratory tests were conducted to evaluate its performance under different vibration environments. Three honeycomb composite beams, with Nomex core and aluminum face sheets, empty (untreated), uniformly treated with NOPD, and optimally treated with NOPD, according to the analytically predicted optimal design configuration, were tested in the laboratory. It is shown that the beam with optimal treatment has the lowest response amplitude. Described below are results of modal vibration tests and FEM analyses from predictions of the modal characteristics of honeycomb beams under zero, 50% uniform treatment and an optimal NOPD treatment design configuration and verification with test data.

Panossian, H.↗
DOE OSTI2025

High‐Performance Al–S Batteries by Spin Polarization Modulation via Catalytic Ni‐MoS 2 Nanosheets

Aluminum–sulfur (Al–S) batteries catalysts with adsorption and catalytic capabilities can effectively improve the slow redox kinetics, but the current research often ignores the effect of optimizing the electronic structure of the catalyst on improving charge transfer and adsorption. Here, in this study, Ni-doped monolayer MoS 2 nanosheets are synthesized and used as a catalytic additive for the sulfur cathode. The addition of Ni promotes spin splitting of 4d orbital of Mo, thereby affecting polarization degree of the basal plane sulfur and making it change from a low spin state to a high spin one. This high spin configuration raises the electron energy level and provides an active electron state to react with aluminum polysulfides (AlPSs), which optimizes the adsorption energy. At the same time, it accelerates electron transfer and lowers the energy barrier for the overall conversion of the polysulfides. Benefiting from these features, Al–S batteries based on rationally designed S@Ni-MoS 2 /C cathodes exhibit a high initial capacity (1603.0 mAh g −1 at 0.5 A g −1 ) and extraordinary cycling stability (0.035% capacity decay rate during 2000 cycles). This study showcases a spin-polarized electronic structure control strategy to enhance catalytic activity, providing a viable approach for developing efficient catalysts for practical Al–S batteries.

Aluminum-sulfur batteries↗
DOE OSTI2018

Ab Initio Theoretical Prediction of Structural, Electronic, and Magnetic Properties in the 3d (Mn)-Doped Zinc-Blende MgSe: A DFT-mBJ Approach

In this paper, we have investigated the structural, electronic, and magnetic properties of magnesium selenium (MgSe) doped with transition metal manganese (Mn) impurity in the cubic diluted magnetic semiconductor (DMS) zinc blende structure. The compounds which we are interested are as Mg{sub 1−x}Mn{sub x}Se where x change between 0 and 1 by step 0.25. All properties are studied, using first-principles calculation of density functional theory under the framework of the full-potential linearized augmented plane waver (FP-LAPW). In our study, we employed the Wu-Cohen generalized approximation (WC-GGA) to optimize the crystal structure, whereas Tran-Blaha modified Becke-Johnson potential (TB-mBJ) as a new functional was applied to compute the electronic and magnetic properties in order to get some better degree of precision. The electronic band structures and density of state plots reveal ferromagnetic semiconducting behavior in these compounds, and the exchange constants N{sub 0}α and N{sub 0}β are calculated to validate the effects resulting from exchange splitting process. Moreover, for each concentration x, the value of total magnetic moment has been estimated to equal to 5 μ{sub B}. The important magnetic moments values obtained in these compounds indicate the potential for their use in spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Experimental validation of an integrated controls-structures design methodology for a class of flexible space structures

This paper describes the first experimental validation of an optimization-based integrated controls-structures design methodology for a class of flexible space structures. The Controls-Structures-Interaction (CSI) Evolutionary Model, a laboratory test bed at Langley, is redesigned based on the integrated design methodology with two different dissipative control strategies. The redesigned structure is fabricated, assembled in the laboratory, and experimentally compared with the original test structure. Design guides are proposed and used in the integrated design process to ensure that the resulting structure can be fabricated. Experimental results indicate that the integrated design requires greater than 60 percent less average control power (by thruster actuators) than the conventional control-optimized design while maintaining the required line-of-sight performance, thereby confirming the analytical findings about the superiority of the integrated design methodology. Amenability of the integrated design structure to other control strategies is considered and evaluated analytically and experimentally. This work also demonstrates the capabilities of the Langley-developed design tool CSI DESIGN which provides a unified environment for structural and control design.

Maghami, Peiman G.↗
NASA NTRS1997

Multidisciplinary Approach to Aerospike Nozzle Design

A model of a linear aerospike rocket nozzle that consists of coupled aerodynamic and structural analyses has been developed. A nonlinear computational fluid dynamics code is used to calculate the aerodynamic thrust, and a three-dimensional finite-element model is used to determine the structural response and weight. The model will be used to demonstrate multidisciplinary design optimization (MDO) capabilities for relevant engine concepts, assess performance of various MDO approaches, and provide a guide for future application development. In this study, the MDO problem is formulated using the multidisciplinary feasible (MDF) strategy. The results for the MDF formulation are presented with comparisons against separate aerodynamic and structural optimized designs. Significant improvements are demonstrated by using a multidisciplinary approach in comparison with the single-discipline design strategy.

Korte, J. J.↗
DOE OSTI2020

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

Developed over the past decade, TeraChem is an electronic structure and ab initio molecular dynamics software package designed from the ground up to leverage graphics processing units (GPUs) to perform large-scale ground and excited state quantum chemistry calculations in the gas and the condensed phase. TeraChem’s speed stems from the reformulation of conventional electronic structure theories in terms of a set of individually optimized high-performance electronic structure operations (e.g., Coulomb and exchange matrix builds, one- and two-particle density matrix builds) and rank-reduction techniques (e.g., tensor hypercontraction). Recent efforts have encapsulated these core operations and provided language-agnostic interfaces. Finally, this greatly increases the accessibility and flexibility of TeraChem as a platform to develop new electronic structure methods on GPUs and provides clear optimization targets for emerging parallel computing architectures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Identification and Structure–Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli

In Gram-negative bacteria, efflux pumps are able to prevent effective cellular concentrations from being achieved for a number of antibiotics. Small molecule adjuvants that act as efflux pump inhibitors (EPIs) have the potential to reinvigorate existing antibiotics that are currently ineffective due to efflux mechanisms. Through a combination of rigorous experimental screening and in silico virtual screening, we recently identified novel classes of EPIs that interact with the membrane fusion protein AcrA, a critical component of the AcrAB-TolC efflux pump in Escherichia coli. In this paper, we present initial optimization efforts and structure–activity relationships around one of those previously described hits, NSC 60339 (1). Finally, from these efforts we identified two compounds, SLUPP-225 (17h) and SLUPP-417 (17o), which demonstrate favorable properties as potential EPIs in E. coli cells including the ability to penetrate the outer membrane, improved inhibition of efflux relative to 1, and potentiation of the activity of novobiocin and erythromycin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

On Jovian plasma sheet structure

Several models of Jovian plasma sheet structure are studied, focusing on the ways in which they organize aspects of the observed Voyager 2 magnetic field characteristics as a function of radial distance from Jupiter. A technique which locates the interfaces between the plasma sheet and the lobes from magnetic data is presented. This boundary location is used to test models of the magnetotail. Improved variations of the hinged-magnetodisk and the magnetic anomaly models are given in which the parameters are optimized by using structural information from observed magnetic equator and plasma-sheet-lobe boundary crossings.

Khurana, Krishan K.↗
DOE OSTI2018

Novel Platform for Digitization of Radiation Measurements, Decommissioning and Dismantling and Nuclear Waste Management - 18229

An innovative Platform for a seamless digitization of the information produced during the characterization of radioactive waste, contaminated objects, and in general radioprotection measurements has ben developed by CAEN SyS. The Platform is based on a spectroscopic handheld instrument integrating RFID technology, barcode reader, camera, voice recorder, and geo-localization, a selection of radiation tolerant RFID tags tested above 300 Gy integrated dose, ruggedized portable RFID readers and a secure database framework capable to collect data also from external sources such as gamma scanners and imaging systems. The Platform allows for real-time measurement of dose rate, radiation spectroscopy, tagging, tracking and inventorying of items. All data produced by the Platform are securely stored into the non-volatile memory of the RFID tags and in the database for both onsite and remote access to the information by operators. This paper presents the current development of the Platform and shows the advantages of such approach to achieve an easy yet reliable waste traceability, waste bagging optimization, and a structured methodology for radiation measurements, meeting an excellent quality control as increasingly required by Safety Authorities. Applications here envisaged and explored are dismantling and decontamination operations, radioprotection measurements and patrols, nuclear material management, safeguards and verification inspections. More in general, the Platform can address the needs of all plants, research laboratories and facilities that are looking to improve their Safety Standards, decrease operational costs, have a precise knowledge of the contaminated environment and objects as well as optimization for personnel dose minimization. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

TuFF internal WRAP for Rapid Pipeline Repair (TuFF iWRAP)

The goal of “TuFF internal WRAP for Rapid Pipeline Repair” (TuFF iWRAP) program was to develop a novel material system and placement process to fabricate structural pipe within the existing deteriorated pipelines without disruption of gas delivery. The team (University of Delaware – Center for Composite Materials (UD-CCM) and Plitzie Inc.) addressed this challenge by developing a new material feedstock and pipe in pipe (PIP) repair strategy. This allows the potential for significant cost reduction and has minimum operational impact on gas customers. The new robotic based placement design allows discontinuous placement of pipe sections creating a stand-alone structural liner within the legacy pipeline without the need for pipe shutdown. Here, the material is supplied using a tethered material feeding system and is placed and UV cured with the internal Wound Rapid Automated Placement (iWRAP) system. This provides maximum placement efficiency capable of traversing 90 angle bends in 12-inch pipe and overall design customization to meet pipe repair requirements (e.g., variable wall thickness, bridging gaps, etc.). UV-curable fiber reinforced composite material has been optimized to meet structural performance and placement/cure times. Superior strength and fatigue life has been demonstrated by improving fiber-matrix adhesion using new fiber sizing for UV resins. Rapid cure approaches using new liner and resins have been evaluated with industry. The appropriate design of the section joints has been developed and tested. We estimate coating time to be ~100 hours per mile enabling typical pipe repair within 1 week.

03 NATURAL GAS↗
DOE OSTI2019

Structural and antigenic characterization of a computationally-optimized H5 hemagglutinin influenza vaccine

Influenza A virus is a leading cause of death worldwide. Viruses of the H5 subtype have the potential to induce high mortality, and no vaccines are currently available to protect against H5 influenza viruses in the event of an outbreak. Experimental vaccination with one clade 2 virus does not protect against other subclades. The computationally optimized broadly reactive (COBRA) methodology was previously used to generate a H5 hemagglutinin (HA) antigen (COBRA2) that elicited increased serological breadth against multiple clade 2 H5N1 influenza viruses. Here, we structurally and antigenically characterized the COBRA2 HA antigen. We examined the biochemical characteristics of the COBRA2 protein and determined the protein is correctly cleaved, properly folded into a trimeric structure, and antigenically correct by probing with HA head- and stem-specific monoclonal antibodies (mAbs). We further probed the antigenicity by examining binding of a panel of H5 mouse mAbs to the COBRA2 antigen, as well as several other HA antigens. We determined the X-ray crystal structure of the COBRA2 HA antigen to 2.8 Å and the protein was observed to be in the expected trimeric form. The COBRA2 HA was structurally similar to the naturally occurring H5 HA antigens and suggests the protein folds similar to known HA structures. Overall, our data allow us to formulate a hypothesis on the mechanism of increased breadth due to vaccination with the COBRA2 HA antigen, which is that the protein incorporates antigenic sites from numerous HA antigens, and elicits mAbs with limited breadth, but with diversity in targeted antigenic sites.

60 APPLIED LIFE SCIENCES↗