Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “material defects”

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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Selective Purcell enhancement of defect emission in ZnO thin films

A zinc interstitial defect present but unobservable in ZnO thin films annealed at 500 C in oxygen or in atmosphere was selectively detected by interaction of the film with an Ag surface-plasmon polariton. The time-dependent differential reflectivity of the ZnO near the ZnO/MgO interface exhibited a subpicosecond decay followed by a several nanosecond recovery, consistent with the Purcell-enhanced Zn interstitial luminescence seen in Ag ZnO heterostructures. Heterostructures annealed at other temperatures showed significantly greater band-edge photoluminescence and no evidence of the Zn interstitial defect.

36 MATERIALS SCIENCE↗
DOE OSTI2019

FTIR and Raman Spectroscopy of Reduced Graphene Oxide Carbon Nanoribbons and Graphene Oxide on Copper (Cu)

In the past couple of decades, carbon nanomaterials produced from graphene and graphite have emerged as one of the more important recently discovered substances. These carbon nanomaterials have been found to exhibit high levels of mechanical strength, thermal resistance, and electrical conductivity, thus having a multitude of applications. Therefore, it is important to identify and analyze their traits in order to maximize their effectiveness. Two spectroscopic techniques employed for such analyses of these materials are Fourier-Transform Infrared (FTIR) and Raman Spectroscopy. The advantages of FTIR and Raman include nondestructive analysis, relatively quick measurements under normal atmospheric conditions, and enhanced sensitivity with high resolution capacity. FTIR Spectroscopy was used in this research project to determine the effects of thermal exfoliation and photoreduction on the functionality groups of a carbon nanomaterial. Raman Spectroscopy was used in this research project to determine the effects of thermal exfoliation and photoreduction on the intensity of the disorder peak, which is greater in intensity if the carbon nanomaterial exhibits greater amounts of functionalities or defects in the graphitic material. There were two sample types which were analyzed with both FTIR and Raman Spectroscopy for the research project: graphene nanoribbons and graphene oxide. The m-grade graphene nanoribbons (GNRs) were produced from m-grade carbon nanotubes (CNTs) via Tour's method. The graphene oxide (GO) was produced from graphene via Tour's method, sonicated and centrifuged, dip-coated onto Copper (Cu) foil, and then photoreduced under a UV light source. FTIR measurements and analyses were conducted using a Jasco FTIR Spectrometer. Raman measurements and analyses were conducted using a Jasco Laser Raman Spectrometer. Tasks and techniques for this project included photoreduction, dip-coating, corrosion testing, FTIR and Raman data collection and analysis, and improvement of data collection for the Raman Spectrometer. GNRs exfoliated and reduced (deoxygenation) at 270 deg. C in air showed a significant decrease in O functionalities according to FTIR. However, Raman revealed that a large increase in graphene planar and edge defects are present as indicated by the disorder band at 1340 cm-1. Further optimization could be performed by thermal exfoliation at lower temperatures assuming a need for fewer structural defects. Graphene oxide coatings showed clear reduction with an increase with photoreduction time. Raman revealed that the reduced graphene oxide films had less disruption in the planar phonon lattice vibrations which indicates that the structure is returning to sp2 hybridization of pristine graphene without adding structural defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Suppressed Lone Pair Electrons Explain Unconventional Rise of Lattice Thermal Conductivity in Defective Crystalline Solids

Manipulating thermal properties of materials can be interpreted as the control of how vibrations of atoms (known as phonons) scatter in a crystal lattice. Compared to a perfect crystal, crystalline solids with defects are expected to have shorter phonon mean free paths caused by point defect scattering, leading to lower lattice thermal conductivities than those without defects. While this is true in many cases, alloying can increase the phonon mean free path in the Cd-doped AgSnSbSe 3 system to increase the lattice thermal conductivity from 0.65 to 1.05 W m –1 K –1 by replacing 18% of the Sb sites with Cd. It is found that the presence of lone pair electrons leads to the off-centering of cations from the centrosymmetric position of a cubic lattice. X-ray pair distribution function analysis reveals that this structural distortion is relieved when the electronic configuration of the dopant element cannot produce lone pair electrons. Furthermore, a decrease in the Grüneisen parameter with doping is experimentally confirmed, establishing a relationship between the stereochemical activity of lone pair electrons and the lattice anharmonicity. The observed “harmonic” behavior with doping suggests that lone pair electrons must be preserved to effectively suppress phonon transport in these systems.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Fluid Flow Phenomena during Welding

MOLTEN WELD POOLS are dynamic. Liquid in the weld pool in acted on by several strong forces, which can result in high-velocity fluid motion. Fluid flow velocities exceeding 1 m/s (3.3 ft/s) have been observed in gas tungsten arc (GTA) welds under ordinary welding conditions, and higher velocities have been measured in submerged arc welds. Fluid flow is important because it affects weld shape and is related to the formation of a variety of weld defects. Moving liquid transports heat and often dominates heat transport in the weld pool. Because heat transport by mass flow depends on the direction and speed of fluid motion, weld pool shape can differ dramatically from that predicted by conductive heat flow. Temperature gradients are also altered by fluid flow, which can affect weld microstructure. A number of defects in GTA welds have been attributed to fluid flow or changes in fluid flow, including lack of penetration, top bead roughness, humped beads, finger penetration, and undercutting. Instabilities in the liquid film around the keyhole in electron beam and laser welds are responsible for the uneven penetration (spiking) characteristic of these types of welds.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intermittent Defect Fluctuations in Oxide Heterostructures

Abstract The heterogeneous nature, local presence, and dynamic evolution of defects typically govern the ionic and electronic properties of a wide variety of functional materials. While the last 50 years have seen considerable efforts into development of new methods to identify the nature of defects in complex materials, such as the perovskite oxides, very little is known about defect dynamics and their influence on the functionality of a material. Here, the discovery of the intermittent behavior of point defects (oxygen vacancies) in oxide heterostructures employing X‐ray photon correlation spectroscopy is reported. Local fluctuations between two ordered phases in strained SrCoO x with different degrees of stability of the oxygen vacancies are observed. Ab‐initio‐informed phase‐field modeling reveals that fluctuations between the competing ordered phases are modulated by the oxygen ion/vacancy interaction energy and epitaxial strain. The results demonstrate how defect dynamics, evidenced by measurement and modeling of their temporal fluctuations, give rise to stochastic properties that now can be fully characterized using coherent X‐rays, coupled for the first time to multiscale modeling in functional complex oxide heterostructures. The study and its findings open new avenues for engineering the dynamical response of functional materials used in neuromorphic and electrochemical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Universal Mechanism of Viscoplastic Deformation of Metallic Materials Far from Thermodynamics Equilibrium

The article gives results of structure formation in metallic materials after different types of deformation: tungsten after rolling, nickel after thermal cycling and nickel single crystal after rolling, aluminum single crystal after cyclic tension and aluminum alloys (D16, 2024-T3) after impulsive load. We used optical and electron microscopy methods for investigation of deformation structure formation and molecular dynamics method for computer modeling of the processes of plastic deformation (LAMMPS software). The following quantitative parameters were calculated during the simulation: energy of pair interaction, temperature, total cumulative pressure, stress tensor and pressure tensor. The study shows that the plastic flow of metallic materials with any initial structure at certain loading stage can be carried out by homogeneous mass transfer through channels with a liquid-like structure, from which follows that the dislocation mechanism of plastic deformation of crystals has a limited field of application. The main role has a synergistic structure formation in the conditions of distance from thermodynamic equilibrium. The relaxation processes proceed intensively after and during the process of destruction. The results of modeling have shown the possibility of forming channels of hydrodynamic flow without the participation of defects in the initial material.

36 MATERIALS SCIENCE↗
DOE OSTI2014

In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance

Defect sinks, such as grain boundaries and phase boundaries, have been widely accepted to improve the irradiation resistance of metallic materials. However, free surface, an ideal defect sink, has received little attention in bulk materials as surface-to-volume ratio is typically low. Here by using in situ Kr ion irradiation technique in a transmission electron microscope, we show that nanoporous (NP) Ag has enhanced radiation tolerance. Besides direct evidence of free surface induced frequent removal of various types of defect clusters, we determined, for the first time, the global and instantaneous diffusivity of defect clusters in both coarse-grained (CG) and NP Ag. Opposite to conventional wisdom, both types of diffusivities are lower in NP Ag. Such a surprise is largely related to the reduced interaction energy between isolated defect clusters in NP Ag. Determination of kinetics of defect clusters is essential to understand and model their migration and clustering in irradiated materials.

NANOSCIENCE AND TECHNOLOGY↗
DOE OSTI2022

Formation of I 1 stacking fault by deformation defect evolution from grain boundaries in Mg

I 1 stacking faults (SFs) in Mg alloys are regarded as the nucleation sites of $\langle \text{c+a} \rangle$ dislocations that are critical for these alloys to achieve high ductility. Previously it was proposed that the formation of I 1 SFs requires the accumulations of a large number of vacancies, which are difficult to achieve at low temperatures. In this study, molecular dynamics (MD) and molecular statics (MS) simulations based on empirical interatomic potentials were applied to investigate the deformation defect evolutions from the symmetric tilt grain boundaries (GBs) in Mg and Mg-Y alloys under external loading along $\langle c \rangle$-axis. The results show the planar faults (PFs) on Pyramidal I planes first appear due to the nucleation and glide of $\langle {\frac {1}{2}}c + p\rangle$ partial dislocations from GBs, where $\langle p\rangle$ = ${\frac {1}{3}} \langle10\bar{1}0\rangle$. These partial dislocations with pyramidal PFs interact with other defects, including pyramidal PFs themselves, GBs, and $\langle p\rangle$ partial dislocations, generating a large amount of I 1 SFs. Detailed analyses show the nucleation and growth of I 1 SFs are achieved by atomic shuffle events and deformation defect reactions without the requirements of vacancy diffusion. Our simulations also suggest the Y clusters at GBs can reduce the critical stress for the formation of pyramidal PFs and I 1 SFs, which provide a possible reason for the experimental observations that Y promotes the $\langle{\text{c+a}}\rangle$ dislocation activities.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Thin N-I-P radiation resistant solar cells

Several sets of N-I-P sola cells were fabricated from high resistivity silicon to test the effectiveness of various methods for hardening these devices against radiation. Different substrate materials were used to provide information on the effects of dopant concentration, silicon type, and the presence of oxygen. In some cells, P-type float-zone refined silicon of 800, 8000 and 15,000 omega-cm resistivity was used to provide a basis for studying resistivity and purity effects. In other cells, N-type silicon (approximately 800 omega-cm) was used to allow a comparison of dopant type. Oxygen-rich, crucible-grown, silicon (approximately 100 omega-cm, p-type) will provide information on purity effects and defect gettering. Lithium was introduced into different types of silicon to determine if mobile ions can reduce radiation induced defects in high resistivity material. Thin cells (2 mil) were fabricated to study the effects of cell thickness and carrier injection on radiation damage. The electrical characteristics of the different sets of cells were measured, analyzed, and compared prior to shipment of the cells to NASA/Lewis for irradiation.

Meulenberg, A.↗
DOE OSTI2018

Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In 2 O 3 nanowires

We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In 2 O 3 ) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In 2 O 3 nanostructure based device characteristics for potential optoelectronic applications. In 2 O 3 nanowires with cubic crystal structure (c-In 2 O 3 ) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor–liquid–solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy ( V O ) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of VO defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Lastly, our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Boundary characterization using 3D mapping of geometrically necessary dislocations in AM Ta microstructure

Additive manufacturing (AM) of high strength metallic materials produces microstructures and defects that deviate substantially from those created through conventional manufacturing methods. It has recently been demonstrated that with application of extreme energy densities, a high-temperature refractory metal, tantalum (Ta), can be printed to a fully dense state with exceptionally low porosity. Here we employ a combination of three-dimensional electron backscattered diffraction (EBSD) TriBeam technology and crystallographic geometrically necessary dislocation (GND) theory to characterize the microstructure and defect boundaries of this unusual AM product. Two-dimensional (2D) EBSD and these three-dimensional (3D) measurements indicate that the microstructure of AM Ta is highly oriented <111> along the build direction, yet at the same time contains large crystallographic orientation gradients that span mm’s across the build. Crystallographic GND density analysis of the 3D microstructure reveals that highly misoriented subboundaries exist within this strongly textured microstructure that have large dislocation densities of 1×10 16 m –2 , just as large as those comprising the high-angle grain boundaries (HAGBs) in the same material. The 3D crystallographic GND density mapping reveals these subboundaries are part of a complex, finely spaced network that extends throughout the entire microstructure. Here, the orientation of these boundaries can be related to the scan strategy used during printing. TEM measurements corroborate an extremely high dislocation density at the microscale and indicate a cell-like dislocation network structure existing in the AM Ta at the sub-μm scale.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Reaction Parameters on Morphology and Photoluminescence of Intrinsic and Mn-doped ZnS Microspheres Synthesized by Hydrothermal Method

Intrinsic and Manganese (Mn)-doped ZnS microspheres have been synthesized by hydrothermal method. Thiourea and amino acid, and L-histidine have been used as sulfur source and capping agent, respectively. The synthesized materials have been characterized using x-ray diffraction, field emission scanning electron microscopy, photoluminescence (PL) and UV–Vis spectroscopy. The above-said characterizations conveyed the information regarding the crystallinity, existence of microspheres, size and optical properties of synthesized ZnS and Mn-doped ZnS samples. Formation of microspheres of intrinsic and Mn-doped ZnS has been observed when the reaction parameters are kept at 150 °C for 4 h, and similarly, the micropores have been noticed when reaction parameters are kept at 150 °C for 8 h. The PL of ZnS microspheres shows multiple defect emissions. The nature of PL for pure ZnS has been regulated based on reaction parameters. Doping of Mn in the ZnS enhances the PL emission. This study reveals the role of reaction parameters and effect of Mn doping on tuning the morphology and emission behavior of ZnS microspheres.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dissolution of Mg-enriched defects in implanted GaN and increased p-type dopant activation

Annealing Mg-implanted homoepitaxial GaN at temperatures above 1400 °C eliminates the formation of inversion domains and leads to improved dopant activation efficiency. Extended defects, in the form of inversion domains, contain electrically inactive Mg after post-implantation annealing at temperatures as high as 1300 °C (one GPa N 2 overpressure), which results in a low dopant activation efficiency. Triple-axis x-ray data reveal that implant-induced strain is fully relieved after annealing at 1300 °C for 10 min, indicating that strain-inducing point defects formed during implantation have reconfigured and inversion domains are formed. However, annealing at temperatures of 1400–1500 °C (one GPa N 2 overpressure) eliminates the presence of the inversion domains. While residual defects, such as dislocation loops, still exist after annealing at and above 1400 °C, chemical analysis at multiple dislocation loops shows no sign of Mg segregation. Meanwhile, an overall decreasing trend in the dislocation loop density is observed after annealing at the higher temperatures and longer times. Additionally, once inversion domains are formed and the samples are cooled to room temperature, they are shown to dissolve with subsequent annealing above 1400 °C. While such defects have been observed before, the important finding that such defects can be dissolved with a short, higher temperature step is key. Earlier work [Breckenridge et al., J. Appl. Phys. Lett. 118, 022101 (2021)] addressing electrical measurements of these types of samples showed that annealing at 1400 °C leads to a dopant activation efficiency that is an order of magnitude higher than that observed at 1300 °C. In conclusion, this work complements earlier work by identifying the inversion domains, which incorporate Mg, and points to the benefits, in terms of defect density and p-type dopant activation, of using higher temperature (>1400 °C) annealing cycles to activate Mg in GaN, even if the Mg-containing inversion domains had been formed during lower temperature annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Extrinsic Green Photoluminescence from the Edges of 2D Cesium Lead Halides

Abstract Since the first report of the green emission of 2D all‐inorganic CsPb 2 Br 5 , its bandgap and photoluminescence (PL) origin have generated intense debate and remained controversial. After the discovery that PL centers occupy only specific morphological structures in CsPb 2 Br 5 , a two‐step highly sensitive and noninvasive optical technique is employed to resolve the controversy. Same‐spot Raman‐PL as a static property–structure probe reveals that CsPbBr 3 nanocrystals are contributing to the green emission of CsPb 2 Br 5 ; pressure‐dependent Raman‐PL with a diamond anvil cell as a dynamic probe further rules out point defects such as Br vacancies as an alternative mechanism. Optical absorption under hydrostatic pressure shows that the bandgap of CsPb 2 Br 5 is 0.3–0.4 eV higher than previously reported values and remains nearly constant with pressure up to 2 GPa in good agreement with full‐fledged density functional theory (DFT) calculations. Using ion exchange of Br with Cl and I, it is further proved that CsPbBr 3− x X x (X = Cl or I) is responsible for the strong visible PL in CsPb 2 Br 5− x X x . This experimental approach is applicable to all PL‐active materials to distinguish intrinsic defects from extrinsic nanocrystals, and the findings pave the way for new design and development of highly efficient optoelectronic devices based on all‐inorganic lead halides.

Wang, Chong↗
DOE OSTI2020

The effects of nanoscale confinement on the behavior of metal laminates

By reducing the layer thickness, h, in metal multilayers from micrometer- to nanometer-levels, scale-dependent transitions in behavior are observed. The role of interface properties in these transitions has been extensively investigated. However, reducing h to the nanoscale regime also imposes a physical geometric confinement on defect-related processes occurring within the layers, an effect that is relatively less explored. Herein, we present illustrative examples of the influence of nanoconfinement on the strength, structure, and radiation response of multilayers. These examples show that nanoconfinement and interface structure and topology act cooperatively in the nanoscale limit, affecting behaviors that cannot be explained based on either factor alone.

36 MATERIALS SCIENCE↗