Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “point defect”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,567 records · Page 87

A phosphorylation-deficient ribosomal protein eS6 is largely functional in Arabidopsis thaliana , rescuing mutant defects from global translation and gene expression to photosynthesis and growth

The eukaryote-specific ribosomal protein of the small subunit eS6 is phosphorylated through the target of rapamycin (TOR) kinase pathway. Although this phosphorylation event responds dynamically to environmental conditions and has been studied for over 50 years, its biochemical and physiological significance remains controversial and poorly understood. Here, we report data from Arabidopsis thaliana, which indicate that plants expressing only a phospho-deficient isoform of eS6 grow essentially normally under laboratory conditions. The eS6z (RPS6A) paralog of eS6 functionally rescued a double mutant in both rps6a and rps6b genes when expressed at approximately twice the wild-type dosage. A mutant isoform of eS6z lacking the major six phosphorylatable serine and threonine residues in its carboxyl-terminal tail also rescued the lethality, rosette growth, and polyribosome loading of the double mutant. This isoform also complemented many mutant phenotypes of rps6 that were newly characterized here, including photosynthetic efficiency, and most of the gene expression defects that were measured by transcriptomics and proteomics. However, compared with plants rescued with a phospho-enabled version of eS6z, the phospho-deficient seedlings retained a mild pointed-leaf phenotype, root growth was reduced, and certain cell cycle-related mRNAs and ribosome biogenesis proteins were misexpressed. The residual defects of the phospho-deficient seedlings could be understood as an incomplete rescue of the rps6 mutant defects. There was little or no evidence for gain-of-function defects. As previously published, the phospho-deficient eS6z also rescued the rps6a and rps6b single mutants; however, phosphorylation of the eS6y (RPS6B) paralog remained lower than predicted, further underscoring that plants can tolerate phospho-deficiency of eS6 well. Our data also yield new insights into how plants cope with mutations in essential, duplicated ribosomal protein isoforms.

60 APPLIED LIFE SCIENCES↗

Use of high-granularity CdZnTe pixelated detectors to correct response non-uniformities caused by defects in crystals

Following our successful demonstration of the position-sensitive virtual Frisch-grid detectors, we investigated the feasibility of using high-granularity position sensing to correct response non-uniformities caused by the crystal defects in CdZnTe (CZT) pixelated detectors. The development of high-granularity detectors able to correct response non-uniformities on a scale comparable to the size of electron clouds opens the opportunity of using unselected off-the-shelf CZT material, whilst still assuring high spectral resolution for the majority of the detectors fabricated from an ingot. Here, we present the results from testing 3D position-sensitive 15×15×10 mm 3 pixelated detectors, fabricated with conventional pixel patterns with progressively smaller pixel sizes: 1.4, 0.8, and 0.5 mm. We employed the readout system based on the H3D front-end multi-channel ASIC developed by BNL's Instrumentation Division in collaboration with the University of Michigan. We use the sharing of electron clouds among several adjacent pixels to measure locations of interaction points with sub-pixel resolution. By using the detectors with small-pixel sizes and a high probability of the charge-sharing events, we were able to improve their spectral resolutions in comparison to the baseline levels, measured for the 1.4-mm pixel size detectors with small fractions of charge-sharing events. These results demonstrate that further enhancement of the performance of CZT pixelated detectors and reduction of costs are possible by using high spatial-resolution position information of interaction points to correct the small-scale response non-uniformities caused by crystal defects present in most devices.

36 MATERIALS SCIENCE↗

Characteristics of stress-induced defects under positive bias in high-k/InGaAs stacks

The introduction of InGaAs as a channel material for complementary metal-oxide-semiconductor technology presents major challenges in terms of the characterization of the various defects that affect the performance and reliability. Understanding the generation of defects by constant voltage stresses is crucial in terms of their concentration profiles and energy levels. In particular, we want to understand the real nature of the defects responsible for the dispersion of C-V in strong accumulation. Here, we show that the degradation under positive bias of metal/Al{sub 2}O{sub 3}/n-InGaAs capacitors reveals two contributions depending on the temperature that affects the C-V curves in a different way. Based on features of stressed C-V curves, it is possible to estimate the onset point of the distribution of border traps near the midgap condition. The results suggest that these defects are strongly related to the characteristics of the InGaAs substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Defect Dynamics at a Single Pt Nanoparticle during Catalytic Oxidation

Defects can affect all aspects of a material by altering its electronic properties and controlling its chemical reactivity. At defect sites, preferential adsorption of reactants and/or formation of chemical species at active sites are observed in heterogeneous catalysis. Understanding the structural response at defect sites during catalytic reactions provides a unique opportunity to exploit defect control of nanoparticle-based catalysts. However, it remains difficult to characterize the strain and defect evolution for a single nanocrystal catalyst in situ. Here, we report Bragg coherent X-ray diffraction imaging of defect dynamics in an individual Pt nanoparticle during catalytic methane oxidation. We observed that the initially tensile strained regions of the crystal became seed points for the development of further strain and subsequent disappearance of diffraction density during oxidation reactions. Our team's detailed understanding of the catalytically induced deformation at the defect sites and observed reversibility during the relevant steps of the catalytic oxidation process provide important insights of defect control and engineering of heterogeneous catalysts.

36 MATERIALS SCIENCE↗

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

Here, we investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and (11$\bar{2}$0) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T* m (x) ≤ 0.90], where T* m (x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar (11$\bar{2}$0) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. Finally, while the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

74 ATOMIC AND MOLECULAR PHYSICS↗

On the bipolar resistive-switching characteristics of Al₂O₃- and HfO₂-based memory cells operated in the soft-breakdown regime

In this article, we investigate extensively the bipolar-switching properties of Al₂O₃- and HfO₂-based resistive-switching memory cells operated at low current down to <1 μA. We show that the switching characteristics differ considerably from those typically reported for larger current range (>15 μA), which we relate as intrinsic to soft-breakdown (SBD) regime. We evidence a larger impact of the used switching-oxide in this current range, due to lower density of oxygen-vacancy (V{sub o}) defects in the SBD regime. In this respect, deep resetting and large memory window may be achieved using the stoichiometric Al₂O₃ material due to efficient V{sub o} annihilation, although no complete erasure of the conductive-filament (CF) is obtained. We finally emphasize that the conduction may be described by a quantum point-contact (QPC) model down to very low current level where only a few V{sub o} defects compose the QPC constriction. The large switching variability inherent to this latter aspect is mitigated by CF shape tuning through adequate engineering of an Al₂O₃\HfO₂ bilayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nanoindentation of Micrograins in Polycrystals under Multiaxial Stress: Control of Abrupt & Stochastic Plastic Events

Deforming objects in the world of the small has proven a much more complex task than just bending a common-sized object like a spoon. Over the last decade, it has become clear that the application of stress on micron-sized objects, such as micropillars, leads to abrupt and stochastic plastic strain jumps that do not satisfy Weibull statistics (as expected for uncorrelated defect yielding) but instead seem to follow highly wide, power-law distributions, pointing towards cooperative dislocation plasticity. Are power-law distributed plastic events the rule or the exception in crystals? If the rule, can we design protocols to control and suppress them in order to achieve deterministic and smooth microforming processes? We propose to combine experiments and theory to unravel the mysteries of abrupt microplastic deformation in a natural dislocation environment: micron-sized grains (\micrograins") of polycrystals. We propose a novel experimental design that utilizes nanoindentation and 4-point bending techniques on the substrate of polycrystalline thin films of two typical FCC metals (Al and Cu), and make concrete theoretical conjectures, based on intuition built from previous theoretical and experimental efforts in micropillar compression and nanoindentation. Based on a wide set of observations over the last decade, we put forward two distinct hypotheses that we propose to investigate in both theory and experiments: Our first conjecture is that crystal plasticity in the central region of micron-sized grains has micropillar-like stochastic features: power-law plastic strain jumps at stresses above the macroscale yield strength, displaying strong size and rate effects. We will demonstrate this similarity in spherical nanoindentation experiments in the central-region of multi-orientation grains of Al and Cu thin films. Al and Cu are selected for their disparity in stacking fault energy and consequently, their different propensity for cross-slip relaxation; however, our protocol may be applied to any crystalline material of technological interest. We will test our hypothesis by performing two-dimensional extended discrete dislocation plasticity (2.5D-DDP) simulations, inspired by comparable successful studies of micropillar plasticity, and extended to model nanoindentation with two slip systems and on a surface of a bicrystal with microhard grain-boundaries (GB), ie. not allowing dislocation absorption (116). Our model will include effective three dimensional dislocation mechanisms such as dislocation multiplication and double-cross-slip assisted glide. Second, we hypothesize that the application of uniform in-plane stress on our thin films below the yield point can smoothen the micrograin plastic response during nanoindentation. On a technological level, we propose that indentation-induced localization (sink-in) may be diminished by the application of concurrent in-plane stress that activates slow, viscoplastic relaxations near GBs. We aim to demonstrate our hypothesis through a 4-point bending apparatus that introduces a homogeneous in-plane stress state before indentation. We will perform simulations of a coarse-grained mesoscale theory of plasticity in a system with microhard GBs, benchmarked through 2.5D-DDP simulations, which will capture the effects of slow viscoplastic relaxations. Our nanoindentation abrupt event statistics studies, either in the micrograin interior or near GBs, will be correlated to direct observations of induced surface dislocation microstructures. For we will use TEM-based methods (PACOM/TKD) in combination with EBSD. Indents placed in the center of grains will be analyzed based on the orientation of the grain, while those near to GBs will be analyzed based on the orientation of each grain, the distance from the GB and the 5 degrees of freedom of the GB.

36 MATERIALS SCIENCE↗

Enhancing photonic systems using topology and non-Hermiticity

The broad goal of this project was to develop new analytical and numerical insights for how important photonic processes can be improved using recently discovered principles in topological and non-Hermitian physics. In particular, there are two recent discoveries that we aimed to harness to achieve this goal. First, it was discovered in condensed matter physics that crystalline symmetries can protect low-dimensional topologically protected states in lattices without the need for breaking time-reversal symmetry. These so-called ‘higher-order’ topological systems represent an important development for photonic systems, where it is very difficult to break time-reversal symmetry, and which had been previously thought necessary to realize topological phenomena. Second, the last decade has seen a significant amount of interest in phenomena which are unique to non-Hermitian systems, i.e., systems which do not conserve energy. For example, spatially patterned gain and loss can be used to realize exceptional points, which are degeneracies in a system’s spectrum where the system becomes defective, while the existence of radiative losses also enables a new route to confinement through bound states in the continuum. For such non-Hermitian phenomena, photonics again represents a critical platform, as photonic systems naturally lose light to their radiative environments, making them generally non-Hermitian, and it is also possible to incorporate additional gain or loss. Based on these broad principles, we pursued a range of projects to harness bound states in the continuum in a variety of different systems and architectures, develop real-space methods for classifying topological systems to yield better photonic design principles, and a novel Brillouin-based fiber laser for sensing strain.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The large Reynolds number - Asymptotic theory of turbulent boundary layers.

A self-consistent, asymptotic expansion of the one-point, mean turbulent equations of motion is obtained. Results such as the velocity defect law and the law of the wall evolve in a relatively rigorous manner, and a systematic ordering of the mean velocity boundary layer equations and their interaction with the main stream flow are obtained. The analysis is extended to the turbulent energy equation and to a treatment of the small scale equilibrium range of Kolmogoroff; in velocity correlation space the two-thirds power law is obtained. Thus, the two well-known 'laws' of turbulent flow are imbedded in an analysis which provides a great deal of other information.

Mellor, G. L.↗

Track damage and erosion of insulators by ion-induced electronic processes

Track damage and the associated ejection of atoms and molecules from insulators, which occur as a result of ion-induced electronic excitation, are of interest both in their own right and because of the mechanisms through which the energy in the excited electrons is transformed into atomic motion. In this paper an overview is given of the phenomena that are observed. We show that there is a remarkable similarity between the damage profile along the ion's track in the solid and the yield of ejected atoms at the energy that corresponds to each point on the track. It is also seen that the density of extended defects (or, correspondingly, the ejected particle yield) appears to have a 'universal' form that is weakly dependent on the type of material. In the model presented this is a consequence of the inner-shell ionization of light elements in the solid by the incident ion; the resulting Auger decay produces an intense ionization spike that locally triggers the track formation/erosion process. This model allows the estimation of erosion yields/damage profiles for different ions and materials.

Tombrello, T. A.↗

Friction Stir Welding of SiC/Aluminum Metal Matrix Composites

Friction Stir Welding (FSW) is a new solid state process for joining metals by plasticizing and consolidating materials around the bond line using thermal energy producing from frictional forces. A feasibility study for FSW of Metal Matrix Composites (MMC) was investigated using aluminum 6092 alloy reinforced with 17% SiC particulates. FSW process consists of a special rotating pin tool that is positioned to plunge into the MMC surface at the bond line. As the tool rotates and move forward along the bond line, the material at the bond line is heated up and forced to flow around the rotating tip to consolidate on the tip's backside to form a solid state joint. FSW has the potential for producing sound welds with MMC because the processing temperature occurs well below the melting point of the metal matrix; thereby eliminating the reinforcement-to-matrix solidification defects, reducing the undesirable chemical reactions and porosity problems.

Lee, Jonathan A.↗

Fatigue Crack and Porosity Measurement in Composite Materials by Thermographic and Ultrasonic Methods

Many nondestructive methods exist for the detection of localized material anomalies in an otherwise good composite structure. The problem arises when the material system as a whole has degraded during service or was improperly manufactured. Porosity and intra-ply microcracking are two such conditions that in unlined composite pressure vessels can be very troublesome to detect and when linked through the thickness can be critical to mission success. These leak paths may lead to loss of pressure/propellant, increased risk of explosion and possible cryo-pumping. Research sought nondestructive methods for quantifying porosity and microcracking in composite tankage. Both thermographic and resonance ultrasound methods have been utilized with artificial neural network and statistical approaches to analyze the data. Resonant ultrasound spectroscopy provides measurements, which are sensitive to fine details in the materials character, such as micro-cracking and porosity. Here, the higher frequency (shorter wavelength) components of the signal train provide more significant interaction with the defects causing the spectral characteristics to shift toward lower amplitudes at the higher frequencies. As the density of the defects increases more interactions occur and more drastic amplitude changes are observed. From a thermal perspective, the higher the defect density the lower the through thickness thermal diffusivity will be. Utilizing a point heat source, and thermographically recording the heat profile with time, diffusivity calculations can be made which in turn can be related to the relative quality of the material. Preliminary experiments to verify the measurable effect on the resonance spectrum of the ultrasonic data to detect microcracking and for porosity detection thermographically are presented. Methods involving supervised and unsupervised artificial neural networks as well as other clustering algorithms are developed for signal identification.

Walker, James L.↗

Stress studies in EFG

Stress distributions were calculated for a creep law to predict a rate of plastic deformation. The expected reduction in stresses is obtained. Improved schemes for calculating growth system temperature distributions were evaluated. Temperature field modeling examined the possibility of using horizontal temperature gradients to influence stress distribution in ribbon. The defect structure of 10 cm wide ribbon grown in the cartridge system was examined. A new feature is identified from an examination of cross sectional micrographs. It consists of high density dislocation bands extending through the ribbon thickness. A four point bending apparatus was constructed for high temperature study of the creep response of silicon, to be used to generate defects for comparison with as grown defects in ribbon. The feasibility of laser interferometric techniques for sheet residual stress distribution measurement is examined. The mathematical formalism for calculating residual stress from changes in surface topology caused by an applied stress in a rectangular specimen was developed, and the system for laser interferometric measurement to obtain surface topology data was tested on CZ silicon.

Source record↗

Initial postbuckling analysis of elastoplastic thin-shear structures

The design of thin shell structures with respect to elastoplastic buckling requires an extended analysis of the influence of initial imperfections. For conservative design, the most critical defect should be assumed with the maximum allowable magnitude. This defect is closely related to the initial postbuckling behavior. An algorithm is given for the quasi-static analysis of the postbuckling behavior of structures that exhibit multiple buckling points. the algorithm based upon an energy criterion allows the computation of the critical perturbation which will be employed for the definition of the critical defect. For computational efficiency, the algorithm uses the reduced basis technique with automatic update of the modal basis. The method is applied to the axisymmetric buckling of cylindrical shells under axial compression, and conclusions are given for future research.

E G Carnoy↗

Self-Healing Composite of Thermoset Polymer and Programmed Super Contraction Fibers

A composition comprising thermoset polymer, shape memory polymer to facilitate macro scale damage closure, and a thermoplastic polymer for molecular scale healing is disclosed; the composition has the ability to resolve structural defects by a bio-mimetic close-then heal process. In use, the shape memory polymer serves to bring surfaces of a structural defect into approximation, whereafter use of the thermoplastic polymer for molecular scale healing allowed for movement of the thermoplastic polymer into the defect and thus obtain molecular scale healing. The thermoplastic can be fibers, particles or spheres which are used by heating to a level at or above the thermoplastic's melting point, then cooling of the composition below the melting temperature of the thermoplastic. Compositions of the invention have the ability to not only close macroscopic defects, but also to do so repeatedly even if another wound/damage occurs in a previously healed/repaired area.

Li, Guoqiang↗

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

We present a many-body diffusion quantum Monte Carlo (DMC) study of the bulk and defect properties of NiO. We find excellent agreement with experimental values, within 0.3%, 0.6%, and 3.5% for the lattice constant, cohesive energy, and bulk modulus, respectively. The quasiparticle bandgap was also computed, and the DMC result of 4.72 (0.17) eV compares well with the experimental value of 4.3 eV. Furthermore, DMC calculations of excited states at the L, Z, and the gamma point of the Brillouin zone reveal a flat upper valence band for NiO, in good agreement with Angle Resolved Photoemission Spectroscopy results. To study defect properties, we evaluated the formation energies of the neutral and charged vacancies of oxygen and nickel in NiO. A formation energy of 7.2 (0.15) eV was found for the oxygen vacancy under oxygen rich conditions. For the Ni vacancy, we obtained a formation energy of 3.2 (0.15) eV under Ni rich conditions. These results confirm that NiO occurs as a p-type material with the dominant intrinsic vacancy defect being Ni vacancy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Positivity Limiters for Filtered Spectral Approximations of Linear Kinetic Transport Equations

We analyze the properties and compare the performance of several positivity limiters for spectral approximations with respect to the angular variable of linear transport equations. It is well-known that spectral methods suffer from the occurrence of (unphysical) negative spatial particle concentrations due to the fact that the underlying polynomial approximations are not always positive at the kinetic level. Positivity limiters address this defect by enforcing positivity of the polynomial approximation on a finite set of preselected points. With a proper PDE solver, they ensure positivity of the particle concentration at each step in a time integration scheme. We review several known positivity limiters proposed in other contexts and also introduce a modification for one of them. We give error estimates for the consistency of the positive approximations produced by these limiters and compare the theoretical estimates to numerical results. We then solve two benchmark problems with these limiters, make qualitative and quantitative observations about the solutions, and then compare the efficiency of the different limiters.

97 MATHEMATICS AND COMPUTING↗

Thermal stability of curved ray tomography for corrosion monitoring

Guided wave tomography is being developed as an effective tool for continuous monitoring of corrosion and erosion depth in pipelines. A pair of transmit- and receive-ring arrays of ultrasonic transducers encircles the pipe and delimits the section to be monitored. In curved ray tomography (CRT), the depth profile is estimated from the time delay matrix, Δτ, whose ij-th entry is the phase traveltime difference between the current and baseline signals measured between transducers i and j of the transmit and receive-ring arrays, respectively. Under perfectly stable experimental conditions, the non-zero entries of Δτ are only due to the occurrence of damage and provide a reliable input to CRT. However, during field operation, Δτ can develop non-zero entries due to a number of environmental changes ranging from temperature variations to degradation of transducer-pipe coupling and transducer intrinsic performance. Here, we demonstrate that these sources of instability can be eliminated by exploiting the spatial diversity of array measurements in conjunction with EMAT transducer technology which is intrinsically stable owing to its non-contact nature. The study is based on a full-scale experiment performed on a schedule 40, 8’ diameter, 3 m length steel pipe, monitored with two EMAT ring arrays. It is shown that for an irregularly shaped defect the proposed method yields maximum depth estimations that are as accurate as single point ultrasonic thickness gaging measurements and over a wide temperature range up to 175°C. The results indicate that advanced inversion schemes in combination with EMAT transduction offer great potential for continuously monitoring the progression of corrosion or erosion damage in the oil and gas industry.

42 ENGINEERING↗