The dislocation equation as a generalization of Peierls equation

A fundamental equation is derived for the structure of dislocations in solids. With the interaction potential that can be obtained properly from the first principle, the equation provides a complete basis for a comprehensive study of the dislocation structure. In particular, the full structural feature and related properties of dislocation can be predicted theoretically, which makes it possible to compare precisely the theoretical results and what is produced by experiments or numerical simulations.     

Natural Soft/Rigid Superlattices as Anodes for High-Performance Lithium-Ion Batteries

Volume expansion and poor conductivity are two major obstacles that hinder the pursuit of the lithium-ion batteries with long cycling life and high power density. Herein, we highlight a misfit compound PbNbS₃ with a soft/rigid superlattice structure, confirmed by scanning tunneling microscopy and electrochemical characterization, as a promising anode material for high performance lithium-ion batteries with optimized capacity, stability, and conductivity. The soft PbS sublayers primarily react with lithium, endowing capacity and preventing decomposition of the superlattice structure, while the rigid NbS₂ sublayers support the skeleton and enhance the migration of electrons and lithium ions, as a result leading to a specific capacity of 710 mAh g⁻¹ at 100 mA g⁻¹, which is 1.6 times of NbS₂ and 3.9 times of PbS. Our finding reveals the competitive strategy of soft/rigid structure in lithium-ion batteries and broadens the horizons of single-phase anode material design.     

PbTiO3/SrTiO3(010)异质界面上的周期性失配位错及电子富集

It is important to determine the effects of misfit dislocations and other defects on the domain structure, ferroelectricity, conductivity, and other physical properties of ferroelectric thin films to understand their ferroelectric and piezoelectric behaviors. Much attention has been given to ferroelectric PbTiO₃/SrTiO₃ or PbZr_0.2Ti_0.8O₃/SrTiO₃ heterointerfaces, at which improper ferroelectricity, a spin-polarized two-dimensional electron gas, and other physical phenomena have been found. However, those heterointerfaces were all (001) planes, and there has been no experimental studies on the growth of (010) PbTiO₃/SrTiO₃ heterointerface due to the 6.4% misfit between two materials. In this study, we selected an atomically flat (010) PbTiO₃/SrTiO₃ heterointerface grown using a two-step hydrothermal method as the research subject, and this is the first experimental report on that interface. Interfacial dislocations can play a significant role in causing dramatic changes in the Curie temperature and polarization distribution near the dislocation cores, especially when the size of a ferroelectric thin film is scaled down to the nanoscale. The results of previous studies on the effects of interfacial dislocations on the physical properties of ferroelectric thin films have been contradictory. Thus, this issue needs to be explored more deeply in the future. This study used aberration corrected scanning transmission electron microscopy (STEM) to study the atomic structure of a (010) PbTiO₃/SrTiO₃ heterointerface and found periodic misfit dislocations with a Burgers vector of a[001]. The extra planes at the dislocation cores could relieve the misfit strain between the two materials in the [001] direction and thus allowed the growth of such an atomically sharp heterointerface. Moreover, monochromated electron energy-loss spectroscopy with an atomic scale spatial resolution and high energy resolution was used to explore the charge distribution near the periodic misfit dislocation cores. The fine structure of the Ti L edge was quantitatively analyzed by linearly fitting the experimental spectra recorded at various locations near and at the misfit dislocation cores with the Ti³⁺ and Ti⁴⁺ reference spectra. Therefore, the accurate valence change of Ti could be determined, which corresponded to the charge distribution. The probable existence of an aggregation of electrons was found near the a[001] dislocation cores, and the density of the electrons calculated from the valence change was 0.26 electrons per unit cell. Based on an analysis of the fine structure of the oxygen K edge, it could be argued that the electrons aggregating at the dislocation cores came from the oxygen vacancies in the interior regions of the PbTiO₃. This aggregation of electrons will probably increase the electron conductivity along the dislocation line. The physics of two-dimensional charge distributions at oxide interfaces have been intensively studied, however, little attention had been given to the one-dimensional charge distribution. Therefore, the results of this study can stimulate research interest in exploring the influence of the interfacial dislocations on the physics of ferroelectric heterointerfaces.     

Mid-infrared InAsSb-based nBn photodetectors with AlGaAsSb barrier layers – Grown on GaAs,using an interfacial misfit array,and on native GaSb

InAsSb-based nBn photodetectors were fabricated on GaAs, using the interfacial misfit (IMF) array growth mode, and on native GaSb. At −0.1 V operating bias, 200 K dark current densities of 1.4 × 10⁻⁵ A cm⁻² (on GaAs) and 4.8 × 10⁻⁶ A cm⁻² (on GaSb) were measured. At the same temperature, specific detectivity (D^*) figures of 1.2 × 10¹⁰ Jones (on GaAs) and 7.2 × 10¹⁰ Jones (on GaSb) were calculated. Arrhenius plots of the dark current densities yielded activation energies of 0.37 eV (on GaAs) and 0.42 eV (on GaSb). These values are close to the 4 K bandgap of the absorption layers (0.32–0.35 eV) indicating diffusion limited dark currents and small valence band offsets. Significantly, these devices could be used for mid-infrared focal plane arrays operating within the temperature range of cost-effective thermoelectric coolers.     

A chronological test of ocean-bottom spreading in the North Atlantic

Fission-track and K-Ar dating of basaltic glass from the Mid-Atlantic Ridge gives results which are consistent with the proposal of ocean-floor spreading. Correlation exists between the magnetic anomaly patterns over the Crest Mountains at 45°N and the age of the outcropping basalts. The observed sequences of ages progressing outward from the Median Valley 11,000, 230,000, 310,000, 750.000, 8,000,000, and 16,000,000 years constitute strong, direct support for the idea of ocean-bottom spreading.     

Atomistic simulation of kink structure on edge dislocation in bcc iron

Based on the general theory of dislocation and kink, we have constructed the three kink models corresponding to the 1/2 （111）{011} and 1/2 （111）{112} edge dislocations （EDs） in bcc Fe using the molecular dynamics method. We found that the geometric structure of a kink depends on the type of ED and the structural energies of the atom sites in the dislocation core region, as well as the geometric symmetry of the dislocation core and the characteristic of the stacking sequence of atomic plane along the dislocation line. The formation energies and widths of the kinks on the 1/2 （111）{011} and 1/2 （111）{112} EDs are calculated, the formation energies are 0.05eV and 0.04eV, and widths are 6.02b and 6.51b, respectively （b is the magnitude of the Burgers vector）. The small formation energies indicate that the formation of kink in the edge dislocation is very easy in bcc Fe.     

Atomistic Simulations of Integranular Fracture in Symmetric-Tilt Grain Boundaries

Fracture experiments on symmetric-tilt grain boundaries in Cu are interpreted using the Peierls-Nabarro continuum model of dislocation nucleation as a starting point. Good agreement is found only when the continuum model is modified according to the results of atomistic simulations. The same experiments are also reproduced by direct Molecular Dynamics simulations of fracture propagation and dislocation emission from a microcrack placed in the interface plane of the symmetric-tilt (221)(221) grain boundary in fcc Cu. Direction-dependent fracture response is observed, namely the microcrack advancing by brittle fracture along the [11 ] direction and being blunted by dislocation emission along the opposite [ 4] direction. Moreover, the simulations allow us to establish important differences with respect to the continuum-model predictions due to the shielding of the stress field at the crack-tip and to the presence of the residual stress at the interface.     

Shell Analysis and Effective Disorder in a 2D Froth

The static and evolutionary properties of two-dimensional cellular structures, or froths, are discussed in the light of recent work on structuring of the froth into concentric shells. Of interest is the dual role of a topological dislocation (defect) in an otherwise uniform froth, considered both as a source of disorder and also as a source generating a shell-structured froth. We present simulations on an initially uniform hexagonal froth. A defect is introduced by forcing either a T1 or T2 process in the stable structure, after which the froth is allowed to evolve according to von Neumann's law. In the first case, topological inclusions are found in the first few layers early in the evolution. In the second case, no inclusions appear over the entire evolutionary period. The growing disorder (as measured by the second moment of the side distribution, ₂) is isotropic. For the special case of a T2-formed froth in a uniform network, the SSI structure is retained with ₂0 only for the zeroth, first, and second layers. The ratio between topological perimeter and radius of the shells is close to 6, the value for a hexagonal froth.     

石墨颗粒/CuAlMn形状记忆合金复合材料中的位错内耗峰

利用渗流技术制备出了以石墨颗粒为阻尼增强相、以Cu-11.9Al-2.5Mn(wt%)形状记忆合金为基体的复合材料，对该合金的内耗行为进行了研究. 在淬火态样品的内耗-温度曲线上观察到两个内耗峰，分别位于240 ℃和370 ℃附近. 对其中低温峰的变化规律和机理进行了研究. 实验发现，低温峰仅在复合材料中出现，峰位与频率无关，峰高随频率升高而上升；随升温速率增加，峰高增加，峰位移向高温；随石墨颗粒体积分数增加，峰高增加；经多次热循环后该内耗峰消失. 由以上特征和微观观察，可以证明该峰起因于外加交变应力与位错的相互作用.     

Singular potentials and double-force solutions for anisotropic laminates with coupled bending and stretching

Summary Exact solutions are obtained in the framework of the classical theory of laminates subjected to the action of normal moments, double forces, double moments or momentless double dipoles. Seven cases of such loads are considered and completed by considering the case of given transversal discontinuity of normal deflection. It is shown that, in contrast to the case of infinite straight dislocations in a pure in-plane problem, the energy of this eighth solution depends on the discontinuity orientation. Some numerical examples are presented. Besides the formal value, the obtained double-force and double-moment solutions, as well as dimensionless double dipoles, can be used to construct kernels of additional boundary integral equations (BIE). Due to the coupling phenomena in the BIE system for the region with a corner point, additional variable such as corner forces appear and require the mentioned equation. Received 22 June 1999; accepted for publication 6 March 2000