Quantitative measurements of extended defects in crystalline materials are important in understanding material behaviour. X-ray line profile analysis provides a complement to direct counting in the electron microscope, but is an indirect method and requires validation. Previous studies have focused on comparing x-ray analysis to electron microscopy results. Instead, we use simulated defective material with known defect content and apply line profile analysis to calculated diffraction profiles to directly show that line profile analysis can reliably quantify dislocations and stacking faults.
The population of dislocation defects in a crystalline material strongly influences its properties, so the ability to analyse this population in experimental samples is of great utility. As a complement to direct counting in the transmission electron microscope, quantitative analysis of x-ray diffraction line profiles is an important tool. This is an indirect approach to quantification and so requires careful validation of the physical models that underly the inferential process. Here we undertake to directly evaluate the ability of line profile analysis to quantify aspects of the dislocation …
Given a distribution of defects on a structured surface, such as those represented by 2-dimensional crystalline materials, liquid crystalline surfaces, and thin sandwiched shells, what is the resulting stress field and the deformed shape? Motivated by this concern, we first classify, and quantify, the translational, rotational, and metrical defects allowable over a broad class of structured surfaces. With an appropriate notion of strain, the defect densities are then shown to appear as sources of strain incompatibility. The strain incompatibility relations, with appropriate kinematical assumpt…
Optically and magnetically active point defects in semiconductors are interesting platforms for the development of solid-state quantum technologies. Their optical properties are usually probed by measuring photoluminescence spectra, which provide information on excitation energies and on the interaction of electrons with lattice vibrations. We present a combined computational and experimental study of photoluminescence spectra of defects in diamond and SiC, aimed at assessing the validity of theoretical and numerical approximations used in first principles calculations, including the use of th…
The antisymmetric Dzyaloshinskii-Moriya interaction (DMI) plays a decisive role for the stabilization and control of chirality of skyrmion textures in various magnetic systems exhibiting a noncentrosymmetric crystal structure. A less studied aspect of the DMI is that this interaction is believed to be operative in the vicinity of lattice imperfections in crystalline magnetic materials, due to the local structural inversion symmetry breaking. If this scenario leads to an effect of sizable magnitude, it implies that the DMI introduces chirality into a very large class of magnetic materials---def…
Surfaces of natural diamonds etched in high-pressure experiments in H2O, CO2 and H2O-NaCl fluids were investigated using Atomic Force Microscopy. Partial dissolution of the crystals produced several types of surface features including the well-known trigons and hillocks and revealed several new types of defects. Besides well-known trigons and dissolution hillocks several new types of defects are observed. The most remarkable ones are assigned to anelastic twins of several types. The observation of abundant microtwins, ordering of hillocks and presence of defects presumably related to knots of …
Properties of point defects resulting from the incorporation of inert-gas atoms in bcc tungsten are investigated systematically using first-principles density functional theory (DFT) calculations. The most stable configuration for the interstitial neon, argon, krypton and xenon atoms is the tetrahedral site, similarly to what was found earlier for helium in W. The calculated formation energies for single inert-gas atoms at interstitial sites as well as at substitutional sites are much larger for Ne, Ar, Kr and Xe than for He. While the variation of the energy of insertion of inert-gas defects …
University of Wisconsin-Madison（威斯康星大学麦迪逊分校）；University of Michigan - Ann Arbor（密歇根大学安娜堡分校）
In this work, we perform semantic segmentation of multiple defect types in electron microscopy images of irradiated FeCrAl alloys using a deep learning Mask Regional Convolutional Neural Network (Mask R-CNN) model. We conduct an in-depth analysis of key model performance statistics, with a focus on quantities such as predicted distributions of defect shapes, defect sizes, and defect areal densities relevant to informing modeling and understanding of irradiated Fe-based materials properties. To better understand the performance and present limitations of the model, we provide examples of useful…
The deposition of Al film onto the (111) surface of a p-Si crystal was shown to induce a deformation in the near-surface layer of the latter. Provided that the crystal strain is elastic and uniaxial, the gettering of defects in the near-surface layer is observed, which is confirmed by a change in the dependence of the specimen resistance on the elastic strain magnitude. The maximum depth of the defect capture has been calculated on the basis of the energy of interaction between the deformed layer and dislocations.
A Foundation Model for Non-Destructive Defect Identification from Vibrational Spectra
Quantum Measurement Group, MIT（麻省理工学院量子测量组）；Center for Computational Science and Engineering, MIT（麻省理工学院计算科学与工程中心）；Department of Materials Science and Engineering, MIT（麻省理工学院材料科学与工程系）；Department of Nuclear Science and Engineering, MIT（麻省理工学院核科学与工程系）；Department of Physics, MIT（麻省理工学院物理系）；Department of Electrical Engineering and Computer Science, MIT（麻省理工学院电气工程与计算机科学系）；Neutron Scattering Division, Oak Ridge National Laboratory（橡树岭国家实验室中子散射部）
The high mechanical strength and excellent flexibility of 2D materials such as graphene are some of their most important properties [1]. Good flexibility is key for exploiting 2D materials in many emerging technologies, such as wearable electronics, bioelectronics, protective coatings and composites [1] and recently bending has been suggested as a route to tune electronic transport behaviour [2]. For virtually all crystalline materials macroscopic deformation is accommodated by the movement of dislocations and through the formation of twinning defects [3]; it is the geometry of the resulting m…
