Multi-timescale investigation of radiation damage near TiO 2 rutile grain boundaries
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phonons, thermal conductivity, nuclear (including ↗
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Results for “material defects”
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Critical Review of LPBF Metal Print Defects Detection: Roles of Selective Sensing Technology
The integrative potential of LPBF-printed parts for various innovative applications depends upon the robustness and infallibility of the part quality. Eliminating or sufficiently reducing factors contributing to the formation of defects is an integral step to achieving satisfiable part quality. Significant research efforts have been conducted to understand and quantify the triggers and origins of LPBF defects by investigating the material properties and process parameters for LPBF-printed geometries using various sensing technologies and techniques. Frequently, combinations of sensing techniques are applied to deepen the understanding of the investigated phenomena. The main objectives of this review are to cover the roles of selective sensing technologies by (1) providing a summary of LPBF metal print defects and their corresponding causes, (2) informing readers of the vast number and types of technologies and methodologies available to detect defects in LPBF-printed parts, and (3) equipping readers with publications geared towards defect detection using combinations of sensing technologies. Due to the large pool of developed sensing technology in the last few years for LPBF-printed parts that may be designed for targeting a specific defect in metal alloys, the article herein focuses on sensing technology that is common and applicable to most common defects and has been utilized in characterization for an extended period with proven efficiency and applicability to LPBF metal parts defect detection.
36 MATERIALS SCIENCE↗
Comparing non-destructive 3D X-ray computed tomography with destructive optical microscopy for microstructural characterization of fiber reinforced composites
Due to their lightweight, relatively high stiffness properties, and formability into complex shapes, discontinuous fiber composites are advantageous for producing small and medium size components. Improved characterization techniques and post-processing methodologies are required for more reliable quantification of the microstructure and defect distributions in these materials, in order to employ model-based approaches to assess their structural integrity. This work compares a non-destructive X-ray approach with a destructive optical microscopy approach for characterizing the microstructural attributes, specifically the fiber volume fraction, porosity volume fraction, fiber orientation distribution, and fiber length distribution of discontinuous glass fibers in a polypropylene matrix. Additionally, a method for destructively determining the ambiguous components of the orientation tensor (related to the sign ambiguity of the out-of-plane angle in a destructive cross-sectional cut of a fiber) over a large surface area is included. It was found that fiber volume fraction and average fiber aspect ratio matched well, while fiber orientation and porosity detection had small but notable differences. The differences in the detection capabilities of each technique are quantified and discussed shedding light on the specific advantages and disadvantages of each approach, and enabling engineers to quantify uncertainty in their microstructural characterization measurements especially as they relate to model based structural integrity activities.
Non-destructive testing↗
Ultrasonic Resonance Spectroscopy of Composite Rims for Flywheel Rotors
Flywheel energy storage devices comprising multilayered composite rotor systems are being studied extensively for utilization in the International Space Station. These composite material systems were investigated with a recently developed ultrasonic resonance spectroscopy technique. The ultrasonic system employs a continuous swept-sine waveform and performs a fast Fourier transform (FFT) on the frequency response spectrum. In addition, the system is capable of equalizing the amount of energy at each frequency. Equalization of the frequency spectrum, along with interpretation of the second FFT, aids in the evaluation of the fundamental frequency. The frequency responses from multilayered material samples, with and without known defects, were analyzed to assess the capabilities and limitations of this nondestructive evaluation technique for material characterization and defect detection. Amplitude and frequency changes were studied from ultrasonic responses of thick composite rings and a multiring composite rim. A composite ring varying in thickness was evaluated to investigate the full thickness resonance. The frequency response characteristics from naturally occurring voids in a composite ring were investigated. Ultrasonic responses were compared from regions with and without machined voids in a composite ring and a multiring composite rim. Finally, ultrasonic responses from the multiring composite rim were compared before and after proof spin testing to 63,000 rpm.
Harmon, Laura M.↗
Optimization of Elastodynamic Finite Integration Technique on Intel Xeon Phi Knights Landing Processors
This work describes the development and optimization of an implementation of an isotropic elastodynamic finite integration technique (EFIT) code for parallelized computation on Intel Knights Landing (KNL) hardware. EFIT is a numerical approach resulting in standard staggered-grid finite difference equations for the elastodynamic equations of motion to simulate bulk waves is solids. The computationally efficient simulation of elastodynamic wave propagation and interactions in aerospace materials is of high-interest in the fields of nondestructive evaluation (NDE) and structural health monitoring (SHM). Ultrasonic inspection uses an ultrasonic signal, generated at the surface of the material/structure via use of a piezoelectric transducer, to propagate sound waves into the material where it interacts with any existing defects, as well as with structural boundaries and any material inhomogeneity. Reflections from defects and boundaries are then measured by a transducer. Realistic ultrasound simulation tools can significantly aid the development and optimization of inspection techniques and can assist in the interpretation of experimental data. The optimization of an elastodynamics simulation code for the KNL Many Integrated Core processor was performed. The optimization focused on data locality and vectorization. Results show that tiling of the data to exploit the cache behavior and allow for significant utilization of the KNL hardware. The MPI implementation allows for a scalable implementation enabling large problems to be simulated. The model results were validated against theoretical dispersion curves to within 2% of the group velocity, and within 0.5% of the phase velocity of the A0 mode. Aggressive use of tiling, threading, and vectorization techniques allowed for dramatically improved time to solution.
William C. Schneck↗
The role of defects and solid/liquid interfacial interactions on controlling anisotropic growth of novel two-dimensional materials
Atomic-scale understanding about how interfacial properties are modified in the presence of defects and how they are correlated to the properties of nucleation and growth is critical for controlled materials growth on solid/liquid interfaces. The goal of this proposal is to establish preliminary data on the critical role of surface defects and chemical compositions of solvent on the structure, dynamics, reactivity, and free energetics at graphene/ionic liquid (IL) interfaces and their impact on two-dimensional (2D) growth of transition metal oxides on the surface. This study aims to develop generalized physical/chemical principles for directional growth at solid/liquid interfaces to achieve atomic-level control of two-dimensional materials synthesis. The proposed study of the effects of surface defects on the interfacial structure and reactivity will improve our understanding of the critical roles of heterogeneity, disorder, and solvents on 2D materials synthesis and lead to better control of directional growth of materials at solid/liquid interfaces.
36 MATERIALS SCIENCE↗
Effects of proton irradiation on structural and electrochemical charge storage properties of TiO 2 nanotube electrodes for lithium-ion batteries
The effects of proton irradiation on nanostructured metal oxides have been investigated. Recent studies suggest that the presence of structural defects (e.g. vacancies and interstitials) in metal oxides may enhance the material's electrochemical charge storage capacity. A new approach to introduce defects in electrode materials is to use ion irradiation as it can produce a supersaturation of point defects in the target material. In this work we report the effect of low-energy proton irradiation on amorphous TiO 2 nanotube electrodes at both room temperature and high temperature (250 °C). Upon room temperature irradiation the nanotubes demonstrate an irradiation-induced phase transformation to a mixture of amorphous, anatase, and rutile domains while showing a 35% reduction in capacity compared to anatase TiO 2 . On the other hand, the high temperature proton irradiation induced a disordered rutile phase within the nanotubes as characterized by Raman spectroscopy and transmission electron microscopy, which displays an improved capacity by 20% at ~240 mA h g –1 as well as improved rate capability compared to an unirradiated anatase sample. Voltammetric sweep data were used to determine the contributions from diffusion-limited intercalation and capacitive processes and it was found that the electrodes after irradiation had more contributions from diffusion in lithium charge storage. Finally, our work suggests that tailoring the defect generation through ion irradiation within metal oxide electrodes could present a new avenue for designing advanced electrode materials.
25 ENERGY STORAGE↗
Effect of substitutional defects on Kambersky damping in L1{sub 0} magnetic materials
Kambersky damping, representing the loss of magnetic energy from the electrons to the lattice through the spin orbit interaction, is calculated for L1{sub 0} FePt, FePd, CoPt, and CoPd alloys versus chemical degree of order. When more substitutional defects exist in the alloys, damping is predicted to increase due to the increase of the spin-flip channels allowed by the broken symmetry. It is demonstrated that this corresponds to an enhanced density of states (DOS) at the Fermi level, owing to the rounding of the DOS with loss of long-range order. Both the damping and the DOS of the Co-based alloy are found to be less affected by the disorder. Pd-based alloys are predicted to have lower damping than Pt-based alloys, making them more suitable for high density spintronic applications.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Idaho Accelerator Center Advanced Fuel Cycle Research
The technical effort has been in two parts called; Materials Science and Instrumentation Development. The Materials Science technical program has been based on a series of research and development achievements in Positron-Annihilation Spectroscopy (PAS) for defect detection in structural materials. This work is of particular importance in nuclear power and its supporting systems as the work included detection of defects introduced by mechanical and thermal phenomena as well as those caused by irradiation damage. The second part of the program has focused on instrumentation development using active interrogation techniques supporting proliferation resistant recycling methodologies and nuclear material safeguards. This effort has also lead to basic physics studies of various phenomena relating to photo-fission.
Wells, Douglas↗
Displacement Cascade Damage Production in Metals
Radiation-induced changes in microstructure and mechanical properties in structural materials are the result of a complex set of physical processes initiated by the collision between an energetic particle (neutron or ion) and an atom in the lattice. This primary damage event is called an atomic displacement cascade. The simplest description of a displacement cascade is to view it as a series of many billiard-ball-like elastic collisions among the atoms in the material. This chapter describes the formation and evolution of this primary radiation damage mechanism to provide an overview of how stable defects are formed by displacement cascades, as well as the nature and morphology of the defects themselves. The impact of the relevant variables such as cascade energy and irradiation temperature is discussed, and defect formation in different materials is compared.
defect creation↗
Development of interatomic potential and effect of ordering on defect properties in CrMnV
Developing materials that can withstand extreme environments, such as high radiation doses and elevated temperatures, is crucial for next-generation particle accelerators, including the 2.4 MW Long-Baseline Neutrino Facility. High-Entropy Alloys have emerged as promising candidates for beam window materials due to their superior mechanical strength, corrosion resistance, and radiation tolerance. In this study, we focus on the Cr–Mn–V alloy system, developing and employing machine-learning interatomic potentials (MLIPs) to investigate the formation of an ordered phase and its influence on defect properties. Using hybrid Monte Carlo-Molecular Dynamics simulations, we observe the formation of a B2-ordered phase at lower temperatures, consistent with Density Functional Theory (DFT) predictions. Ordered structures display a bimodal distribution of migration energies and reduced mean square displacement values, indicating suppressed vacancy diffusion. Our results also show that the migration energy barrier varies based on the atomic species, with Mn and V exhibiting the highest and lowest average barriers, respectively. These findings suggest that atomic ordering inhibits defect mobility, potentially enhancing the radiation resistance of CrMnV alloys. The validated MLIP provides a reliable framework for simulations that are faster than traditional DFT while maintaining the accuracy required to study defect and ordering properties.
36 MATERIALS SCIENCE↗
Diffusion of n-type dopants in germanium
Germanium is being actively considered by the semiconductor community as a mainstream material for nanoelectronic applications. Germanium has advantageous materials properties; however, its dopant-defect interactions are less understood as compared to the mainstream material, silicon. The understanding of self- and dopant diffusion is essential to form well defined doped regions. Although p-type dopants such as boron exhibit limited diffusion, n-type dopants such as phosphorous, arsenic, and antimony diffuse quickly via vacancy-mediated diffusion mechanisms. In the present review, we mainly focus on the impact of intrinsic defects on the diffusion mechanisms of donor atoms and point defect engineering strategies to restrain donor atom diffusion and to enhance their electrical activation.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Multiphysics FISPACT-II and TENDL-2019 simulation: neutron-induced damage metrics
Nuclear interactions can be the source of atomic displacement, irradiation-induced defects and transmutation in structural materials. Such quantities are derived from, or can be correlated to, nuclear kinematic simulations of primary atomic energy distributions spectra and the quantification of the numbers of secondary defects produced per primary as a function of the available recoils, residual and emitted, energies. Recoil kinematics of neutral, residual, gas, proton, alpha particle emissions are now more rigorously treated based on recent, complete and enhanced nuclear data parsed in state-of-the-art processing tools. Defect production metrics are the starting point in the complex problem of correlating and simulating the behaviour of materials under irradiation, as experimental information is rare or scattered. Detailed, segregated primary knock-on-atom metrics are now becoming available as the starting point of further simulation processes of isolated and clustered defects in material lattices. This allows more materials, lattices, neutron incident energy ranges, and irradiation conditions to be explored with sufficient data to adequately cover both standard and novel applications and materials: the broader reactor applications landscape. The damage metrics of of materials are systematically explored under typical but different reactor's type environment. The inventory code FISPACT-II combined with the enhanced nuclear data forms of the TENDL-2019 libraries allow one to not only calculate dpa from mostly scattering events but to also properly predict gas production, nuclear heating and transmutation under the same conditions.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Defect Engineering in Multinary Earth‐Abundant Chalcogenide Photovoltaic Materials
Application of zinc‐blende‐related chalcogenide absorbers such as CdTe and Cu(In,Ga)Se 2 (CIGSe) has enabled remarkable advancement in laboratory‐ and commercial‐scale thin‐film photovoltaic performance; however concerns remain regarding the toxicity (CdTe) and scarcity (CIGSe/CdTe) of the constituent elements. Recently, kesterite‐based Cu 2 ZnSn(S,Se) 4 (CZTSSe) materials have emerged as attractive non‐toxic and earth‐abundant absorber candidates. Despite the similarities between CZTSSe and CIGSe/CdTe, the record power conversion efficiency of CZTSSe solar cells (12.6%) remains significantly lower than that of CIGSe (22.6%) and CdTe (22.1%) devices, with the performance gap primarily being attributed to cationic disordering and associated band tailing. To capture the promise of kesterite‐like materials as prospective “drop‐in” earth‐abundant replacements for closely‐related CIGSe, current research has focused on several key directions to control disorder, including: (i) examination of the interaction between processing conditions and atomic site disorder, (ii) isoelectronic cation substitution to introduce ionic size mismatch, and (iii) structural diversification beyond the zinc‐blende‐type coordination environment. In this review, recent efforts targeting accurate identification and engineering of anti‐site disorder in kesterite‐based CZTSSe are considered. Lessons learned from CZTSSe are applied to other complex chalcogenide semiconductors, in an effort to develop promising pathways to avoid anti‐site disordering and associated band tailing in future high‐performance earth‐abundant photovoltaic technologies.
Shin, Donghyeop↗
Spatially-resolved studies on the role of defects and boundaries in electronic behavior of 2D materials
Not Available
Hus, Saban M.↗
Femtosecond laser patterning, synthesis, defect formation, and structural modification of atomic layered materials
This article summarizes recent research on laser-based processing of twodimensional (2D) atomic layered materials, including graphene and transition metal dichalcogenides (TMDCs). Ultrafast lasers offer unique processing routes that take advantage of distinct interaction mechanisms with 2D materials to enable extremely localized energy deposition. Experiments have shown that ablative direct patterning of graphene by ultrafast lasers can achieve resolutions of tens of nanometers, as well as single-step pattern transfer. Ultrafast lasers also induce non-thermal excitation mechanisms that are useful for the thinning of TMDCs to tune the 2D material bandgap. Laser-assisted site-specific doping was recently demonstrated where ultrafast laser radiation under ambient air environment could be used for the direct writing of high-quality graphene patterns on insulating substrates. This article concludes with an outlook towards developing further advanced laser processing with scalability, in situ monitoring strategies and potential applications.
36 MATERIALS SCIENCE↗
Effect of Defects on Mechanical Behavior of Additively Manufactured Metallic Materials
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Saikumar R Yeratapally↗