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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Probing polarization dynamics at specific domain configurations: Computer-vision based automated experiment in piezoresponse force microscopy

Topological defects in ferroelectric materials have attracted much attention due to the emergence of conductive, ferroic, and magnetic functionalities. However, many topological configurations dynamically evolve during the switching processes, making them a challenge to characterize via traditional techniques. Here, we implement an automated experimentation approach for the exploration of functional properties in BiFeO 3 thin films. Specifically, we visualize the ferroelectric domain structures via single frequency piezoresponse force microscopy and implement a computer vision-based algorithm to discover features of interest at which spectroscopic measurements are taken. Subsequently, we employ dimensionality reduction techniques to reveal characteristic polarization behaviors at these features. This approach can be extended to other spectroscopies and modalities to probe only specific features of interest, ultimately enabling dynamical processes in ferroelectrics to be studied.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Comment on “Anisotropic Scattering Caused by Apical Oxygen Vacancies in Thin Films of Overdoped High-Temperature Cuprate Superconductors”

The comment is on the article published in Vol. 128, Iss. 13 — 1 April 2022, https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.128.137001. In Ref. 1, Wang et al. address an important problem in the overdoped cuprates, taking the first steps toward understanding the structure of real defects in these materials, in this case the apical oxygen vacancy, VO, that sits immediately above the planar Cu. However, the approach taken has some issues, which we outline in this Comment

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Oxygen vacancy formation energies in PbTiO 3 / SrTiO 3 superlattice

The defect stability in a prototypical perovskite oxide superlattice consisting of ${\mathrm{SrTiO}}_{3}$ and ${\mathrm{PbTiO}}_{3}$ (STO/PTO) is determined by using first principles density functional theory calculations. Specifically, the oxygen vacancy formation energies ${E}_{\mathrm{v}}$ in the paraelectric and ferroelectric phases of a superlattice with four atomic layers of STO and four layers of PTO (4STO/4PTO) are determined and compared. The effects of charge state, octahedral rotation, polarization, and interfaces on ${E}_{\mathrm{v}}$ are examined in this paper. The formation energies vary layer by layer in the superlattices, with ${E}_{\mathrm{v}}$ being higher in the ferroelectric phase than that in the paraelectric phase. The two interfaces constructed in these oxide superlattices, which are symmetrically equivalent in the paraelectric systems, exhibit very different formation energies in the ferroelectric superlattices and this can be seen to be driven by the coupling of ferroelectric and rotational modes. At equivalent lattice sites, ${E}_{\mathrm{v}}$ of charged vacancies is generally lower than that of neutral vacancies. Octahedral rotations $({\mathrm{a}}^{0}{\mathrm{a}}^{0}{\mathrm{c}}^{{-}})$ in the superlattices have a significant effect on ${E}_{\mathrm{v}}$, increasing the formation energy of vacancies located near the interface but decreasing the formation energy of the oxygen vacancies located in the bulk-like regions of the STO and PTO constituent parts. The formation-energy variations among different layers are found to be primarily caused by the difference in the local relaxation at each layer. Finally, these fundamental insights into the defect stability in perovskite superlattices can be used to tune defect properties by controlling the constituent materials of superlattices and interface engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Smaller, faster, tougher

Silicon has long been the semiconductor of choice for such power electronics. But soon this ubiquitous substance will have to share the spotlight. Devices made from silicon carbide (SiC)-a faster, tougher, and more efficient alternative to straight silicon-are beginning to take off. Simple SiC diodes have already started to supplant silicon devices in some applications. And over the last few years, they've been joined by the first commercially available SiC transistors, enabling anew range of SiC-based power electronics. What's more, SiC wafer manufacturers have steadily reduced the defects in the material while increasing the wafer size, thus driving down the prices of SiC devices. Last year, according to estimates made by wafer maker Cree, the global market for silicon carbide devices topped US $100 million for the first time.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation of Single-Event Transients in AlGaN/GaN MIS-Gate HEMTs Using a Focused X-Ray Beam

Focused, pulsed X-rays are implemented to generate single-event transients (SETs) in metal-insulator-semiconductor (MIS)-gate AlGaN/GaN high-electron-mobility transistors (HEMTs) in order to examine the mechanisms responsible for SETs. Unlike Schottky-gate GaN HEMTs, where current flows between gate and drain when the device is biased "OFF," for the MIS-gate HEMTs, current flows between the source and drain. The presence of the SiNx insulating layer under the gate effectively blocks electrons on the gate from moving into the semiconductor. Short-duration SETs at the gate are caused by the collection of holes injected by the X-rays. SETs collected at the source and drain have an initial short-duration component, followed by a long-duration tail that can last for hundreds of nanoseconds. The long tails are due to positive charges (holes) that are less mobile than the electrons and so take longer to exit the HEMT, and to holes that become trapped at defects in the material. The holes lower the potential barrier between the source and the region under the gate, allowing for the injection of electrons that flow from the source to the drain. The durations of the SET tails are determined by the lifetimes of the trapped holes that are discovered to vary with X-ray photon energy and electrical bias.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Revealing Micro-Scale Doping Variations in Thin-Films via Simultaneous Luminescence and Current Collection Measurements

Doping thin films used for photovoltaic absorbers is both critical to maximize device voltage and challenging due to complex interactions between point defects in these materials. Such interactions can result in compensation of the intended dopant species, meaning that the active charge-carrier concentration is lower than the concentration incorporated dopants. Charge-carrier compensation is directly related to the open-circuit voltage (VOC) deficit, or magnitude of VOC relative to the theoretical limit. Understanding how the carrier concentration varies within thin-films is necessary to design material processing schedules to minimize this VOC deficit and produce more efficient devices. Unfortunately, measurements of the free carrier concentration are generally relevant at the device level and cannot resolve local differences. Resolving local doping differences in thin-films such as Cd(Se,Te), CZTS, and CIGSe requires techniques with micron or sub-micron spatial resolution due to the polycrystalline structure as well as intended and unintended composition variations in these materials. In this contribution, we show how simultaneous measurement of cathodoluminescence (CL) and electron-beam-induced current (EBIC) can be used to expose doping variations in Cd(Se,Te) thin-films. Simultaneous collection of these signals reveals unexpected differences in the electric field strength through the device thickness due to spatial variation in the carrier concentration.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2012

Photovoltaic Materials

The goal of the current project was to help make the US solar industry a world leader in the manufacture of thin film photovoltaics. The overall approach was to leverage ORNL’s unique characterization and processing technologies to gain a better understanding of the fundamental challenges for solar cell processing and apply that knowledge to targeted projects with industry members. ORNL has the capabilities in place and the expertise required to understand how basic material properties including defects, impurities, and grain boundaries affect the solar cell performance. ORNL also has unique processing capabilities to optimize the manufacturing process for fabrication of high efficiency and low cost solar cells. ORNL recently established the Center for Advanced Thin-film Systems (CATS), which contains a suite of optical and electrical characterization equipment specifically focused on solar cell research.

14 SOLAR ENERGY↗
DOE OSTI2025

Establishing defect-property relationships for 2D-nanomaterials (Final technical report)

Studies of new families of two-dimensional nanomaterials (2DNMs) have established that they possess unique properties that diverge from those of their bulk counterparts. This project aimed to determine how tolerant 2DNMs are to extreme photon and particle fluxes and to identify the mechanisms governing their radiation response. Early work indicated that graphene is not as representative of other 2DNMs as previously assumed; however, the origin of this difference remained unclear. To address these knowledge gaps, this project investigated the physical processes occurring at multiple length scales in transition metal dichalcogenides (TMDs) and quantified their structural stability and property evolution under far-from-equilibrium conditions. In-situ and ex-situ ion and electron irradiations were performed to directly control and monitor defect formation in TMDs. Complementary density functional theory (DFT) and molecular dynamics (MD) simulations were employed to elucidate the mechanisms of defect generation and evolution. The outcomes of this work established mechanistic understanding of irradiation-induced defect formation in 2DNMs, quantified the radiation tolerance of TMDs, and built a fundamental knowledge base for correlating defect structures with material properties. Collectively, these results provide new insights into the stability of low-dimensional materials in extreme environments and enable the predictive design of radiation-tolerant 2DNMs.

2D materials↗
DOE OSTI2025

High-Throughput Characterization Tools/Algorithms To Outline Porosity Variability in AM Samples as a Function of Processing Conditions

This report documents the development and deployment of advanced algorithms and tools that enable high-throughput characterization for metal additive manufacturing (AM), with a particular focus on process parameter optimization and material/part qualification for nuclear applications. While the method ologies presented support diverse characterization techniques, the majority of the work is centered on AI-driven algorithms for X-ray computed tomography (XCT) to accelerate defect detection and materials analysis at scale.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A review on experimentally observed mechanical and microstructural characteristics of interfaces in multi-material laser powder bed fusion

Additive manufacturing (AM) is a revolutionary technology. One of the key AM categories, metal powder-based fusion processes, has many advantages compared to conventional methods for fabricating structural materials, such as permitting increased geometric complexity. While single material metal powder AM has advanced significantly in the past decade, multi-material AM is gradually attracting more attention owing to the recent breakthrough in multi-material feedstock delivery and the growing interest of fabricating functionally graded components. Multi-material AM offers an alternative route for applications that require location dependent material properties and high geometrical complexity. The AM community has invented several ways to achieve compositional gradients and discrete boundaries in two and three dimensions using mechanical spreading, nozzle-based, electrophotographic, and hybrid techniques. This article reviews the current state of laser powder bed fusion based multi-material AM of metals with focuses on the characteristics of the material interface as well as the properties and performance of the AM built functionally graded materials. We show the common challenges and issues related to material transitions, such as defects, segregation, phase separation, and the efficacy of some potential solutions including material and process optimizations. Additionally, this study evaluates the applicability and limitations of the existing testing standards and methods for measuring mechanical performance of functionally graded materials. Finally, we discuss mechanical testing development opportunities, which can help multi-material AM move towards higher technological maturity. In general, we find that the link between gradient microstructure and mechanical properties is not well understood or studied and suggest several mechanical tests that may better inform this knowledge gap.

42 ENGINEERING↗
DOE OSTI2025

Elimination of remnant phases in low-temperature growth of wurtzite ScAlN by molecular-beam epitaxy

Growth of wurtzite ScxAl1−xN (x < 0.23) by plasma-assisted molecular-beam epitaxy on cplane GaN at high temperatures significantly alters the extracted lattice constants of the material due to defects likely associated with remnant phases. In contrast, ScAlN grown below a composition-dependent threshold temperature exhibits uniform alloy distribution, reduced defect density, and atomic-step surface morphology. The c-plane lattice constant of this low-temperature ScAlN varies with composition as expected from previous theoretical calculations and can be used to reliably estimate alloy composition. Moreover, lattice-matched Sc0.18Al0.82N/GaN multiquantum wells grown under these conditions display strong and narrow near-infrared intersubband absorption lines that confirm advantageous optical and electronic properties.

Dzuba, Brandon↗
NASA NTRS1977

X-ray topography as a process control tool in semiconductor and microcircuit manufacture

A bent wafer camera, designed to identify crystal lattice defects in semiconductor materials, was investigated. The camera makes use of conventional X-ray topographs and an innovative slightly bent wafer which allows rays from the point source to strike all portions of the wafer simultaneously. In addition to being utilized in solving production process control problems, this camera design substantially reduces the cost per topograph.

Parker, D. L.↗
NASA NTRS1984

Crack tip field and fatigue crack growth in general yielding and low cycle fatigue

Fatigue life consists of crack nucleation and crack propagation periods. Fatigue crack nucleation period is shorter relative to the propagation period at higher stresses. Crack nucleation period of low cycle fatigue might even be shortened by material and fabrication defects and by environmental attack. In these cases, fatigue life is largely crack propagation period. The characteristic crack tip field was studied by the finite element method, and the crack tip field is related to the far field parameters: the deformation work density, and the product of applied stress and applied strain. The cyclic carck growth rates in specimens in general yielding as measured by Solomon are analyzed in terms of J-integral. A generalized crack behavior in terms of delta is developed. The relations between J and the far field parameters and the relation for the general cyclic crack growth behavior are used to analyze fatigue lives of specimens under general-yielding cyclic-load. Fatigue life is related to the applied stress and strain ranges, the deformation work density, crack nucleus size, fracture toughness, fatigue crack growth threshold, Young's modulus, and the cyclic yield stress and strain. The fatigue lives of two aluminum alloys correlate well with the deformation work density as depicted by the derived theory. The general relation is reduced to Coffin-Manson low cycle fatigue law in the high strain region.

Minzhong, Z.↗
NASA NTRS1986

Damping Melt Convection With A Magnetic Field

Application of 3-kG magnetic field reduces thermal and solutal convection in Bi/MnBi melt in Bridgman-Stockbarger (moving-vertical-thermalgradient) furnace operating in normal gravitational field. Resulting Bi/MnBi alloy samples had properties similar to samples grown under nearly zero gravity. New technique proves useful in growing more uniform, defect-free semiconductor materials from such other electrically conductive melts.

Pirich, R. G.↗
NASA NTRS1986

Crystal growth of device quality GaAs in space

It was established that the findings on elemental semiconductors Ge and Si regarding crystal growth, segregation, chemical composition, defect interactions, and materials properties-electronic properties relationships are not necessarily applicable to GaAs (and to other semiconductor compounds). In many instances totally unexpected relationships were found to prevail. It was further established that in compound semiconductors with a volatile constituent, control of stoichiometry is far more critical than any other crystal growth parameter. It was also shown that, due to suppression of nonstoichiometric fluctuations, the advantages of space for growth of semiconductor compounds extend far beyond those observed in elemental semiconductors. A novel configuration was discovered for partial confinement of GaAs melt in space which overcomes the two major problems associated with growth of semiconductors in total confinement. They are volume expansion during solidification and control of pressure of the volatile constituent. These problems are discussed in detail.

Gatos, H. C.↗
NASA NTRS1991

Assessment of probability of detection of delaminations in fiber-reinforced composites

Delamination is one of the critical defects in composite materials and structures. An ultrasonic C-scan imaging technique which maps out the acoustic impedance mismatched areas with respect to the sample coordinates, is particularly well suited for detecting and characterizing delaminations in composites. To properly interpret the results, it is necessary to correlate the indications with the detection limits and probability of detection (POD) of the ultrasonic C-scan imaging technique. The baseline information on the assessment of POD of delaminations in composite materials and structures is very beneficial to the evaluation of spacecraft materials. In this study, we review the principle of POD, describe the laboratory set-up and procedure, and present the experimental results as well as assessment of POD of delaminations in fiber reinforced composite panels using ultrasonic C-scan techniques.

Chern, E. J.↗
NASA NTRS1992

Atomic oxygen undercutting of LDEF aluminized-Kapton multilayer insulation

Atomic oxygen undercutting is a potential threat to vulnerable spacecraft materials which have atomic oxygen protective coatings. Such undercutting is due to atomic oxygen attack of oxidizable materials at microscopic defects in the protective coatings. These defects occur during fabrication and handling, or from micrometeoroid and debris bombardment in space. An aluminized-polyimide Kapton multilayer insulation sample that was located on the leading edge of the Long Duration Exposure Facility (LDEF) was used to study low Earth orbit directed ram atomic oxygen undercutting. Cracks in the aluminized coatings located around vent holes provided excellent defect sites for evaluation of atomic oxygen undercutting. The experimentally observed undercutting profiles were compared to predictions from Monte Carlo models for normal incident ram atomic oxygen attack. The shape of the undercut profile was found to vary with crack width, which is proportional to the number of oxygen atoms entering the crack. The resulting profiles of atomic oxygen which occurred on LDEF indicated wide undercut cavities in spite of the fixed ram orientation. Potential causes of the observed undercutting are presented. Implications of the undercutting profiles relevant to the Space Station Freedom are also discussed.

Degroh, Kim K.↗
NASA NTRS1999

Nondestructive Detection of Cracks in Ceramics Using Vicinal Illumination

Cracks and other defects in ceramic materials can be difficult or impossible to examine and photograph due to the extreme lack of contrast. A method for inspecting translucent ceramics using scattered light, also known as vicinal illumination, will be described. This method has been known in the ceramics industry for quite some time, but is not well known in the testing and failure analysis community. Electronics applications include substrates, packages, multilayer capacitors, and thin film resistors. Ceramic materials are used in electronic applications as microcircuit packages and substrates which carry signals and power between microcircuits. Fine cracks in ceramic materials can result in mechanical failures, electrical failures, and loss of hermeticity. Often, fine cracks are difficult or impossible to detect using standard nondestructive inspection techniques such as visual inspection, ultrasonic inspection, or vapor crack detection. Dye penetrant inspection is usually effective, but contaminates the part, which is unacceptable for space flight hardware. One effective nondestructive inspection method of detecting cracks involves examining the way in which light scatters through the ceramic material when viewed with a standard bright field reflected light microscope. This method, termed vicinal illumination, has been used for detecting cracks during failure analyses of several part types, and screening of space flight hardware. The technique has proven effective on several different types of ceramic materials as well. A related method for use with dark field equipment has also been used to successfully locate otherwise invisible cracks.

Hull, Scott M.↗