Alternate dissociation of the screw dislocations in a (0 0 1) buried small-angle twist boundary in silicon

The square dislocation network of a (0 0 1) buried small-angle boundary in silicon was observed by dark-field transmission electron microscopy to examine the structures of more than 100 dissociated dislocation segments. Images were taken with g = (2 2 0), using a many-beam case along the reciprocal lattice row. Dissociation occurs on alternate close-packed planes without systematic rule, although a degree of ordering is taking place. Most of the dislocation segments have lengths equal to half of the square network period. Image simulation studies revealed that their experimental contrasts cannot be explained from the usual assumption of straight dislocations running in an infinite crystal. However, if these dislocations are supposed close and parallel to a nearby free surface, a reasonable agreement is found between the micrographs and the simulated images. A three-dimensional elastic model is proposed to explain the contrasts of the dislocation network.     

Investigation of dislocations in 8circ off-axis 4H-SiC epilayer

This paper reports that the etching morphology of dislocations in 8^circ off-axis 4H-SiC epilayer is observed by using a scanning electronic microscope. It is found that different types of dislocations correspond with different densities and basal plane dislcation (BPD) array and threading edge dislocation (TED) pileup group lie along some certain crystal directions in the epilayer. It is concluded that the elastic energy of threading screw dislocations (TSDs) is highest and TEDs is lowest among these dislocations, so the density of TSDs is lower than TEDs. The BPDs can convert to TEDs but TSDs can only propagate into the epilyer in spite of the higher elastic energy than TEDs. The reason of the form of BPDs array in epilayer is that the big step along the basal plane caused by face defects blocked the upstream atoms, and TEDs pileup group is that the dislocations slide is blocked by dislocation groups in epilayer.     

Elastic constitutive laws for incompatible crystalline media: the contributions of dislocations,disclinations and G-disclinations

Linear higher-grade higher-order elastic constitutive laws for compatible (defect-free) and incompatible (containing crystal line defects) media are presented. In the proposed model, the free energy density of a body subjected to elastic deformation under the action of surface tractions, moments or hyper-traction tensors (second-order tensors whose anti-symmetric part corresponds to moments) has contributions coming from the first two gradients of displacements. Thermodynamic considerations reveal that only the symmetric component of the gradient of elastic displacement, i.e., compatible elastic strain tensor, and the anti-symmetric component of the second gradient of elastic displacement, i.e., compatible third-order elastic curvature tensor, contribute to the free energy density during compatible deformation of the body. The line crystal defect contributions are accounted for by incorporating the incompatible components of elastic strains, curvatures and symmetric 2-distortions as state variables of the free energy density. In particular, the presence of generalized disclinations (G-disclinations) is acknowledged when the medium is subjected to surface hyper-traction tensors having a non-zero symmetric component along with surface-tractions on its boundary. Mechanical dissipation analysis provides for the coupling between the Cauchy stresses and third-order symmetric hyper-stresses. The free energy density and elastic laws for a defect-free and line crystal defected medium are proposed in a linear setting. In the special case of isotropy, the cross terms between elastic strains and curvatures contribute to the free energy density through a single elastic constant. More interestingly, the Cauchy and couple stresses are found to have contributions coming from both, elastic strains and curvatures.     

The gauge theory of dislocations: A nonuniformly moving screw dislocation

We investigate the nonuniform motion of a straight screw dislocation in infinite media in the framework of the translational gauge theory of dislocations. The equations of motion are derived for an arbitrarily moving screw dislocation. The fields of the elastic velocity, elastic distortion, dislocation density and dislocation current surrounding the arbitrarily moving screw dislocation are derived explicitly in the form of integral representations. We calculate the radiation fields and the fields depending on the dislocation velocities.     

Effect of Eshelby twist on core structure of screw dislocations in molybdenum: atomic structure and electron microscope image simulations

This paper addresses the question as to whether the core structure of screw dislocations in Mo in the bulk can be obtained from high-resolution electron microscopy (HREM) images of such dislocations viewed end-on in a thin foil. Atomistic simulations of the core structure of screw dislocations in elastically anisotropic Mo were carried out using bond order potentials. These simulations take account automatically of the effects of the surface relaxation displacements (anisotropic Eshelby twist). They show that the differential displacements of the atoms at the surface are different with components perpendicular to the Burgers vector about five times larger than those in the middle of the foil, the latter being characteristic of the bulk. Nye tensor plots show that the surface relaxation stresses strongly affect the incompatible distortions. HREM simulations of the computed structure reflect the displacements at the exit surface, modified by interband scattering and the microscope transfer function. Nye tensor plots obtained from the HREM images show that interband scattering also affects the incompatible distortions. It is concluded that it would be very difficult to obtain information on the core structure of screw dislocations in the bulk Mo from HREM images, even under ideal experimental conditions, and that quantitative comparisons between experimental and simulated images from assumed model structures would be essential.     

Reprise: partial chemical strain dislocations and their role in pinning dislocations to their atmospheres

A correct solution for a dislocation atmosphere is provided using Hirth's Standard Model, confirming the errors in Hirth and Lothe. Contrary to what is given there, concentration changes in Cottrell atmospheres reduce an edge dislocation's stress and its elastic energy, thereby reducing the magnitude of the concentration changes. The chemical and elastic strain fields from Cottrell atmospheres are again shown to behave as partial dislocations with variable Burgers vectors that are not crystal translation vectors. The reality of partial dislocations provides a simpler explanation for pinning of dislocations by atmospheres. Much of the literature on dislocation properties in solid solutions should be re-examined.     

Heterogeneous precipitation on dislocations: effect of the elastic field on precipitate morphology

The shape of a coherent non-misfitting FeC precipitate formed from solute atoms that interact with a dislocation stress field was studied using kinetic Monte Carlo simulation on a rigid lattice. The system studied is a model for binary alloys with an interstitial alloying element similar to Fe–C. The interaction with the dislocation comprises both a short-range chemical term and a long-range deformation field. The effect of each of these terms on precipitate shapes for different C supersaturations was investigated. A simple analytical model is proposed to rationalize the results obtained in the atomistic simulations.     

水平层状介质中任意方向磁偶极子的电磁场分布

将水平层状介质中的任意方向磁偶极子分解成水平磁偶极子(HMD)和垂直磁偶极子(VMD),给出了将VMD和HMD产生的波分解为电场矢量垂直于入射面的线形极化波(EV波)和平行于入射面的线形极化波(EP波)的方法.通过分别研究这两种波在各层介质中的反射和透射规律,导出确定各介质层中电磁波的递推公式,从而得到了任意介质层中电磁波的解析表达式.     

非均匀流体介质内部散射声场重建的逐层计算方法*

入射声波激励下非均匀流体介质内部散射声场的重建方法对超声层析成像具有重要意义。以往采用矩量法求解,但该方法全域离散形成的复数满秩矩阵规模随着分辨率与计算精度的提高而急剧增大,对算力具有很高的要求,一定程度上限制了其在实际中的应用。为克服上述缺陷,本文以逐层离散、逐层计算为核心思想,以声散射基本公式与近场声全息理论为基础,推导出逐层计算非均匀流体介质内部散射声场的理论公式并给出对应的几何离散模型。为验证该方法的可行性,以矩量法为参照,对同样的介质模型进行介质内部声场重构仿真。结果表明,逐层算法不仅可以有效地重建非均匀流体介质内部散射声场,且大幅度减小了求解规模。     

Critical review of claims for ultra-hardness in nanocomposite coatings

Claims for ultra-hardness (H?≈?100?GPa) in nanocomposite coatings are critically examined in terms of the experimental evidence first presented in 1999 and theoretical support published over the past 10 years. It is shown that the results of experimental work cannot be validated, and that there are many unresolved issues associated with the supporting theoretical arguments. Using the methods outlined by the authors, whose work is reviewed here, but with more precise application of the equations involved, and reading directly from their reported relationships between Y and H, the best estimate of the hardness for the materials under consideration appears to be of the order of ≈55?GPa. This estimate is validated by actual measurements on a diamond sample and super-hard coatings, and finite element computations in comparison with experimental results for ultra-hard coatings. It is shown that the conclusions of the work being reviewed do not stand up to scrutiny and that the hardness of the ultra-hard coatings is most likely over-estimated by a factor of ≈2.     

Electronic structure calculations for inhomogeneous systems: Interfaces,surfaces, and nanocontacts

The article gives an introduction into the application of density functional theory (DFT) to inhomogeneous systems. To begin with, we describe the interplay of specific materials at interfaces, resulting in structure relaxation and modifications of the chemical bonding. We address interfaces between YBa₂Cu₃O₇ and a normal metal, in order to quantify the intrinsic interface charge transfer into the superconductor. Moreover, we study the internal interfaces in a V₆O₁₃ battery cathode and the effects of ion incorporation during the charging and discharging process. The second part of the article deals with the influence of surfaces on the nearby electronic states. Here, we investigate a LaAlO₃/SrTiO₃ heterostructure in a thin film geometry. We particularly explain the experimental dependence of the electronic states at the heterointerface on the surface layer thickness. Afterwards, surface relaxations are studied for both the clean Ge(001) surface and for self‐assembled Pt nanowires on Ge(001). In the third part, we turn to atomic and molecular contacts. We compare the properties of prototypical Al nanocontact geometries, aiming at insight into the chemical bonding and the occupation of the atomic orbitals. Finally, the local electronic structure of a benzene‐1,4‐dithiol molecule between two Au electrodes is discussed as an example for a molecular bridge.     

Thin film photocatalysis for environmental remediation: A status review

This review accounts, various metal oxide and metal sulfide thin films available for photodegradation of several organic compounds. Due to difficulties in recycling and to avoid rigorous recollection of powder catalysts, the thin film catalyst are gaining rapid attention for photocatalytic applications. The semiconducting thin films are growing as promising photocatalyst for water treatment. This review focuses mainly on the photocatalytic activity of metal oxide thin films in terms of its stability, charge transport and absorption properties. Thin film photocatalyst provides the increased efficiency and cost reduction of device. Furthermore, this review summarizes some key factors regarding the enhancement in photocatalytic performance of thin films.     

Macrodynamics: Large-scale structures in turbulent media

We develop a method to derive the macroscopic equations governing the evolution of the mean field in continuous turbulent media. The approach is based on the concept of local equilibrium, which enables one to evaluate averages of nonlinear terms and to close the averaged equation. Examples include the Kuramoto-Sivashinsky equation and its modifications.     

Near-field microscopy with a scanning nitrogen-vacancy color center in a diamond nanocrystal: A brief review

We review our recent developments of near-field scanning optical microscopy (NSOM) that uses an active tip made of a single fluorescent nanodiamond (ND) grafted onto the apex of a substrate fiber tip. The ND hosting a limited number of nitrogen-vacancy (NV) color centers, such a tip is a scanning quantum source of light. The method for preparing the ND-based tips and their basic properties are summarized. Then we discuss theoretically the concept of spatial resolution that is achievable in this special NSOM configuration and find it to be only limited by the scan height over the imaged system, in contrast with the standard aperture-tip NSOM whose resolution depends critically on both the scan height and aperture diameter. Finally, we describe a scheme we have introduced recently for high-resolution imaging of nanoplasmonic structures with ND-based tips that is capable of approaching the ultimate resolution anticipated by theory.     

High Chern number phase in topological insulator multilayer structures: A Dirac cone model study

We employ the Dirac cone model to explore the high Chern number (C) phases that are realized in the magnetic-doped topological insulator (TI) multilayer structures by Zhao et al. [Nature 588 419 (2020)]. The Chern number is calculated by capturing the evolution of the phase boundaries with the parameters, then the Chern number phase diagrams of the TI multilayer structures are obtained. The high-C behavior is attributed to the band inversion of the renormalized Dirac cones, along with which the spin polarization at the $varGamma$ point will get increased. Moreover, another two TI multilayer structures as well as the TI superlattice structures are studied.     

Elastic AlignedSENSE for Dynamic MR Reconstruction: A Proof of Concept in Cardiac Cine

Numerous methods in the extensive literature on magnetic resonance imaging (MRI) reconstruction exploit temporal redundancy to accelerate cardiac cine. Some of them include motion compensation, which involves high computational costs and long runtimes. In this work, we proposed a method—elastic alignedSENSE (EAS)—for the direct reconstruction of a motion-free image plus a set of nonrigid deformations to reconstruct a 2D cardiac sequence. The feasibility of the proposed approach was tested in 2D Cartesian and golden radial multi-coil breath-hold cardiac cine acquisitions. The proposed approach was compared against parallel imaging compressed sense (sPICS) and group-wise motion corrected compressed sense (GWCS) reconstructions. EAS provides better results on objective measures with considerable less runtime when an acceleration factor is higher than 10×. Subjective assessment of an expert, however, invited proposing the combination of EAS and GWCS as a preferable alternative to GWCS or EAS in isolation.     

A multi-length-scale theory of the anomalous mixing-length growth for tracer flow in heterogeneous porous media

We develop a multi-length-scale (multifractal) theory for the effect of rock heterogeneity on the growth of the mixing layer of the flow of a passive tracer through porous media. The multifractal exponent of the size of the mixing layer is determined analytically from the statistical properties of a random velocity (permeability) field. The anomalous diffusion of the mixing layer can occur both on finite and on asymptotic length scales.