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At least 1,135 records · Page 63

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DOE OSTI2021

Cation-size mismatch as a predictive descriptor for structural distortion, configurational disorder, and valence-band splitting in II-IV-N2 semiconductors

The II-IV-N2 class of heterovalent ternary nitrides has gained significant interest as alternatives to the III-nitrides for electronic and optoelectronic applications. In this study, we apply first-principles calculations based on density functional theory to systematically investigate the effects of structural distortions due to cation size mismatch on the configurational disorder of the cation sublattice and the valence band structure in this class of materials. We find that larger size mismatch between the group-II and the group-IV cations results in stronger lattice distortions from the ideal hexagonal ratio, which in turn inhibits the propensity of these materials toward octet-rule violating cation disorder. We also demonstrate that the formation energy of a single cation antisite pair, which is fast and simple to calculate, is a strong indicator of a material's propensity toward disorder. Furthermore, the breaking of in-plane symmetry leads to a splitting of the top three valence bands at Γ, which is also directly related to the magnitude of structural distortions. Our work demonstrates that the structural and functional properties of the II-IV-N2 materials can be finely tuned through controllable structural distortions that stem from the choice of cations.

Kute, Malhar (ORCID:0000000214364564)↗

NASA NTRS1988

Effects of joints in truss structures

The response of truss-type structures for future space applications, such as Large Deployable Reflector (LDR), will be directly affected by joint performance. Some of the objectives of research at BAC were to characterize structural joints, establish analytical approaches that incorporate joint characteristics, and experimentally establish the validity of the analytical approaches. The test approach to characterize joints for both erectable and deployable-type structures was based upon a Force State Mapping Technique. The approach pictorially shows how the nonlinear joint results can be used for equivalent linear analysis. Testing of the Space Station joints developed at LaRC (a hinged joint at 2 Hz and a clevis joint at 2 Hz) successfully revealed the nonlinear characteristics of the joints. The Space Station joints were effectively linear when loaded to plus or minus 500 pounds with a corresponding displacement of about plus or minus 0.0015 inch. It was indicated that good linear joints exist which are compatible with errected structures, but that difficulty may be encountered if nonlinear-type joints are incorporated in the structure.

Ikegami, R.↗

DOE OSTI2018

Anisotropy of Giant Nonlinear Magnetoelectric Effects in Hexaferrites with the Magnetoplumbite Structure

We report on the results of investigation of anisotropy of the nonlinear magnetoelectric current effect in M-type hexaferrites with a collinear magnetic ordering at room temperature. It is found that as a result of the passage of a direct electric current in a plane perpendicular to the hexagonal axis of the strontium hexaferrite sample, the saturation magnetization and the anisotropy constant of the material decrease. The change in the magnetic parameters measured using radio spectroscopic methods is found to be proportional to the supplied electric power density; the determined proportionality factors turn out to be several times larger than in the case when the current passes along the axis. We propose a phenomenological theory that explains the observed effects qualitatively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1987

Design of Fiber Composites for Structural Durability

Hygrothermomechanical effects analyzed by computers. Computational methodology developed and available at NASA Lewis Research Center to design and analyze fiber-composite structures subjected to complex hygrothermomechanical environments. Includes composite mechanics and advanced finited-element structural-analysis methods. Methodology applied to such problems as progressive fracture of composite material, design of composite material for cycle fatigue combined with hot and wet conditions, and general composite-laminate configurations.

Chamis, Christos C.↗

NASA NTRS1989

Ionization effects in the radiative driving of stellar winds in massive X ray binary systems

Massive X ray binaries consist of an early type primary lossing mass via a strong stellar wind driven by the stars radiation field, and an accreting neutron star companion. The X rays from the neutron star affect the wind dynamics by changing the temperature and ionization structure. The effect of the accretion powered X rays on the radiative line force that drives the stellar wind is calculated. The consequences of these calculations for the wind dynamics in massive X ray binaries is discussed.

Stevens, Ian R.↗

DOE OSTI2018

Optimization of Beidellite/Polyaniline Production Conditions by Central Composite Design for Removal of Acid Yellow 194

In the adsorption process, the adsorbent structure and its interaction with wastewater are the main determinant of the process efficiency. For this reason, the correct selection of the production conditions for the produced adsorbents is critical. In this study, the reaction time and the concentration of acid, oxidant, substrate, and monomer were selected as independent variables which effect the structure of the polyaniline based composite material. These production variables of polyaniline/beidellite (PANI/BEI) composites were designed by response surface methodology (RSM). According to RSM, 46 different PANI/BEI composites were synthesized and were used as an adsorbent in the removal of acid yellow 194. Thus, the optimum PANI/BEI production conditions were determined. After the identification of the optimum PANI/BEI production conditions, the effect of adsorption conditions such as pH, mixing time, and dye concentration were studied by batch experiments. The maximum adsorption capacity was obtained as 123 (mg g{sup −1}) at the T = 25 °C, t = 24 h, pH 3, m{sub s} = 0.15 g adsorbent, V{sub s} = 50 ml dye solution, and ω = 200 rpm. The results presented in this study revealed that the central composite design is a suitable method to optimize the production conditions of PANI/BEI and the prepared PANI/BEI composites has an important potential as an adsorbent for the removal of metal-complex dyes such as AY194. In addition, the polymerization of aniline and the removal of dye were confirmed by different analytical techniques such as BET, XRD, SEM, and EDAX.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1981

The dynamics and control of large flexible space structures-IV

The effects of solar radiation pressure as the main environmental disturbance torque were incorporated into the model of the rigid orbiting shallow shell and computer simulation results indicate that within the linear range the rigid modal amplitudes are excited in proportion to the area to mass ratio. The effect of higher order terms in the gravity-gradient torque expressions previously neglected was evaluated and found to be negligible for the size structures under consideration. A graph theory approach was employed for calculating the eigenvalues of a large flexible system by reducing the system (stiffness) matrix to lower ordered submatrices. The related reachability matrix and term rank concepts are used to verify controllability and can be more effective than the alternate numerical rank tests. Control laws were developed for the shape and orientation control of the orbiting flexible shallow shell and numerical results presented.

Bainum, P. M.↗

NASA NTRS1957

Effect of transient heating on vibration frequencies of some simple wing structures

Thermal stresses, which may result from transient heating, can cause changes in the effective stiffness of wing structures. Some effects of this change in stiffness were investigated experimentally by radiantly heating three types of simple wing structures: a uniform plate, a solid double-wedge section, and a circular-arc multiweb-wing section. Changes in stiffness were determined by measuring the changes in natural frequency of vibration during transient heating. Some comparisons are made between theoretical calculations and the measured data.

LOADS AND STRESSES, STRUCTURAL↗

NASA NTRS1982

Coupled rotor/airframe vibration analysis

A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.

Sopher, R.↗

NASA NTRS1994

Evaluation of the fuselage lap joint fatigue and terminating action repair

Terminating action is a remedial repair which entails the replacement of shear head countersunk rivets with universal head rivets which have a larger shank diameter. The procedure was developed to eliminate the risk of widespread fatigue damage (WFD) in the upper rivet row of a fuselage lap joint. A test and evaluation program has been conducted by Foster-Miller, Inc. (FMI) to evaluate the terminating action repair of the upper rivet row of a commercial aircraft fuselage lap splice. Two full scale fatigue tests were conducted on fuselage panels using the growth of fatigue cracks in the lap joint. The second test was performed to evaluate the effectiveness of the terminating action repair. In both tests, cyclic pressurization loading was applied to the panels while crack propagation was recorded at all rivet locations at regular intervals to generate detailed data on conditions of fatigue crack initiation, ligament link-up, and fuselage fracture. This program demonstrated that the terminating action repair substantially increases the fatigue life of a fuselage panel structure and effectively eliminates the occurrence of cracking in the upper rivet row of the lap joint. While high cycle crack growth was recorded in the middle rivet row during the second test, failure was not imminent when the test was terminated after cycling to well beyond the service life. The program also demonstrated that the initiation, propagation, and linkup of WFD in full-scale fuselage structures can be simulated and quantitatively studied in the laboratory. This paper presents an overview of the testing program and provides a detailed discussion of the data analysis and results. Crack distribution and propagation rates and directions as well as frequency of cracking are presented for both tests. The progression of damage to linkup of adjacent cracks and to eventual overall panel failure is discussed. In addition, an assessment of the effectiveness of the terminating action repair and the occurrence of cracking in the middle rivet row is provided, and conclusions of practical interest are drawn.

Samavedam, Gopal↗

DOE OSTI2018

SiO 2 -Enhanced Structural Stability and Strong Adhesion with a New Binder of Konjac Glucomannan Enables Stable Cycling of Silicon Anodes for Lithium-Ion Batteries

Silicon-based anodes with high theoretical capacity have intriguing potential applications for next-generation high-energy lithium-ion batteries, but suffer from huge volumetric change that causes pulverization of electrodes. Rational design and construction of effective electrode structures combined with versatile binders remain a significant challenge. In this paper, a unique natural binder of konjac glucomannan (KGM) is developed and an amorphous protective layer of SiO 2 is fabricated on the surface of Si nanoparticles (Si@SiO 2 ) to enhance the adhesion. Benefiting from a plethora of hydroxyl groups, the KGM binder with inherently high adhesion and superior mechanical properties provides abundant contact sites to active materials. Molecular mechanics simulations and experimental results demonstrate that the enhanced adhesion between KGM and Si@SiO 2 can bond the particles tightly to form a robust electrode. In addition to bridging KGM molecules, the SiO 2 -functionalized surface may serve as a buffer layer to alleviate the stresses of Si nanoparticles resulting from the volume change. The as-fabricated KGM/Si@SiO 2 electrode exhibits outstanding structural stability upon long-term cycles. Finally, a highly reversible capacity of 1278 mAh g -1 can be achieved over 1000 cycles at a current density of 2 A g -1 , and the capacity decay is as small as 0.056% per cycle.

25 ENERGY STORAGE↗

NASA NTRS2012

Structural Analysis in a Conceptual Design Framework

Supersonic aircraft designers must shape the outer mold line of the aircraft to improve multiple objectives, such as mission performance, cruise efficiency, and sonic-boom signatures. Conceptual designers have demonstrated an ability to assess these objectives for a large number of candidate designs. Other critical objectives and constraints, such as weight, fuel volume, aeroelastic effects, and structural soundness, are more difficult to address during the conceptual design process. The present research adds both static structural analysis and sizing to an existing conceptual design framework. The ultimate goal is to include structural analysis in the multidisciplinary optimization of a supersonic aircraft. Progress towards that goal is discussed and demonstrated.

Padula, Sharon L.↗

NASA NTRSDate not supplied

Gimbal Bearing Friction in the SLS Core Stage Thrust Vector Control System

The Space Launch System (SLS) Core Stage Thrust Vector Control (TVC) system is comprised of eight mechanical feedback Shuttle heritage Type III TVC actuators that vector the four Shuttle heritage RS-25 engines about a Shuttle heritage gimbal block/bearing. The MSFC Controls community has long regarded gimbal friction to be a negligible effect on the overall control of gimbaled RS-25 engines. This is corroborated by Space Shuttle test and flight data that does not appear to show degraded effects, nor limit cycling at the end of the shuttle flight. For this reason, friction was not expected to be a driving factor of performance and control of the reused RS-25 engines aboard the SLS. However, after test data showed a large shift in frequency behavior and a highly damped step-response in the time series, there was further investigation into what could have caused this behavior. Heritage friction models used in previous gimbal and ball bearings were evaluated such as Coulomb, Dahl and LuGre, but the single degree of freedom friction models alone were not enough to explain the behavior and shifts seen in the test data. This paper presents the additional findings and modeling efforts regarding friction on the RS-25 engines. Using the Two Actuator Operational Simulation (TAOS), the difference from modeling separate friction degrees of freedom to coupled degrees of freedom was investigated to deduce the effects of one axis’s movement on the other. Next, due to the vibration environment, a modified LuGre model has been proposed that adds an additional term to decrease the friction coefficient at low engine velocity amplitudes. Lastly, the addition of the stiffness in each half of the gimbal bearing has increased modeling fidelity by also adding the effect on the gimbal bearing bending in compliance to both the friction torque on the surface of the gimbal bearing and the actuator force that is forcing the engine in a specified direction. Through these effects, the time and frequency domain behavior seen in test can be characterized accurately.

Friction↗

DOE OSTI2025

High spatial resolution neutron imaging of lithium-ion batteries: Correlating microstructure and lithium transport

Thick electrodes for lithium-ion batteries can increase the overall energy density, but increasing the electrode thickness introduces charge transport limitations. These limitations may be mitigated through proper electrode structuring. Here, high spatial resolution neutron imaging was used to understand the correlation between microstructure and lithium transport in lithium-ion anodes. Batteries with distinct graphite anode microstructures were produced and studied with high spatial resolution in operando neutron radiography to observe the effects of structure on transport. High spatial resolution neutron computed tomography was performed following in operando neutron radiography. X-ray computed tomography and scanning electron microscopy were used to observe the finer scale anode structure to complement neutron imaging. Solvent-free anodes containing a tightly-packed layered structure confined lithium movement close to the separator. This structure limited capacity, but supported better rate capability. Conversely, a more open pore structure in the wet cast anodes yielded higher capacity with reduced rate capability. Together, these results show that lithium distributions can be controlled by the macroscopic structure of the electrodes, the microstructural pore network, and the microscale active areas that support electrochemical reactions. Furthermore, multimodal imaging applying the complementary strengths of neutron and X-ray methods is shown as a tool for advancing battery design.

25 ENERGY STORAGE↗

DOE OSTI2025

Single particle impact explorations on the role of powder heat treatments in cold spray: Effects of strength and oxide structure

In cold spray, the optimization of the powder feedstock for improving the final properties of the coating and for improving the process itself are two different objectives. This paper explores the latter, studying the relationship between powder pre-heat treatment and the kinetic bonding between the individual particles and the substrate. Using a laser-induced particle impact test (LIPIT), we investigate the effect of different heat treatments on the critical adhesion velocity of Al 6061. Although heat treatments change the strength of the powders as well as the thickness of the native oxide layer each by as much as ∼50 %, the critical adhesion velocity remains constant to within only ∼10 %. A deeper analysis reveals that these two factors change in somewhat complementary ways for the heat treatments explored here, leading to counteracting effects. By quantitatively evaluating these two microstructural factors in tandem, we find that they are roughly equally important in determining the critical adhesion velocity. These observations thus provide insight for the development of new heat treatment regimens that might lower the adhesion velocity.

Al 6061↗

DOE OSTI2026

Searching for ternary magnetic Zr–Fe–B compounds through deep machine learning

We use deep machine learning (ML) combined with first-principles calculations to search for energetically favorable ternary magnetic zirconium–iron borides. We show that an iterative ML approach enables efficient screening of vast structural libraries, effectively selecting promising candidates for subsequent first-principles investigations. Twenty-two new Fe-rich ternary compounds with formation energies within 60 meV atom −1 above the known ternary convex hull and with magnetic polarization larger than 0.6 T are identified, among which ten structures exhibit significant uniaxial anisotropy with magnetocrystalline anisotropy constant K 1 ⩾ 0.8 MJ m −3 , including a Zr 2 Fe 14 B phase. Such an ML-guided approach dramatically accelerates the discovery of rare-earth-free permanent magnetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2009

Convective and Stratiform Precipitation Processes and their Relationship to Latent Heating

The global hydrological cycle is central to the Earth's climate system, with rainfall and the physics of its formation acting as the key links in the cycle. Two-thirds of global rainfall occurs in the Tropics. Associated with this rainfall is a vast amount of heat, which is known as latent heat. It arises mainly due to the phase change of water vapor condensing into liquid droplets; three-fourths of the total heat energy available to the Earth's atmosphere comes from tropical rainfall. In addition, fresh water provided by tropical rainfall and its variability exerts a large impact upon the structure and motions of the upper ocean layer. An improved convective -stratiform heating (CSH) algorithm has been developed to obtain the 3D structure of cloud heating over the Tropics based on two sources of information: 1) rainfall information, namely its amount and the fraction due to light rain intensity, observed directly from the Precipitation Radar (PR) on board the TRMM satellite and 2) synthetic cloud physics information obtained from cloud-resolving model (CRM) simulations of cloud systems. The cloud simulations provide details on cloud processes, specifically latent heating, eddy heat flux convergence and radiative heating/cooling, that. are not directly observable by satellite. The new CSH algorithm-derived heating has a noticeably different heating structure over both ocean and land regions compared to the previous CSH algorithm. One of the major differences between new and old algorithms is that the level of maximum cloud heating occurs 1 to 1.5 km lower in the atmosphere in the new algorithm. This can effect the structure of the implied air currents associated with the general circulation of the atmosphere in the Tropics. The new CSH algorithm will be used provide retrieved heating data to other heating algorithms to supplement their performance.

Tao, Wei-Kuo↗

DOE OSTI2019

SUSPECT: MINLP special structure detector for Pyomo

We present SUSPECT, an open source toolkit that symbolically analyzes mixed-integer nonlinear optimization problems formulated using the Python algebraic modeling library Pyomo. We present the data structures and algorithms used to implement SUSPECT. SUSPECT works on a directed acyclic graph representation of the optimization problem to perform: bounds tightening, bound propagation, monotonicity detection, and convexity detection. We show how the tree-walking rules in SUSPECT balance the need for lightweight computation with effective special structure detection. SUSPECT can be used as a standalone tool or as a Python library to be integrated in other tools or solvers. Here, we highlight the easy extensibility of SUSPECT with several recent convexity detection tricks from the literature. We also report experimental results on the MINLPLib 2 dataset.

97 MATHEMATICS AND COMPUTING↗