Molecular dynamics simulation of the interaction between a mixed dislocation and a stacking fault tetrahedron

A high number-density of nanometer-sized stacking fault tetrahedra are commonly found during irradiation of low stacking fault energy metals. The stacking fault tetrahedra act as obstacles to dislocation motion leading to increased yield strength and decreased ductility. Thus, an improved understanding of the interaction between gliding dislocations and stacking fault tetrahedra are critical to reliably predict the mechanical properties of irradiated materials. Many studies have investigated the interaction of a screw or edge dislocation with a stacking fault tetrahedron (SFT). However, atomistic studies of a mixed dislocation interaction with an SFT are not available, even though mixed dislocations are the most common. In this paper, molecular dynamics simulation results of the interaction between a mixed dislocation and an SFT in face-centered cubic copper are presented. The interaction results in shearing, partial absorption, destabilization or simple bypass of the SFT, depending on the interaction geometry. However, the SFT was not completely annihilated, absorbed or collapsed during a single interaction with a mixed dislocation. These observations, combined with simulation results of edge or screw dislocations, suggest that defect-free channel formation in irradiated copper is not likely by a single dislocation sweeping or destruction process, but rather by a complex mix of multiple shearing, partial absorption and defect cluster transportation that ultimately reduces the size of stacking fault tetrahedra within a localized region.     

Concurrent formation of two different type precipitation-free zones during the initial stage of homogenization

Transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy were used to study the microstructure evolution of Al–Cu–Mg alloy during the initial stage of homogenization. It was found that two types of precipitation-free zones (PFZs) can form concurrently: one near grain boundaries and the other at the grain centres. Depth profile analyses of solute concentrations and dislocation-loop distributions strongly suggested that the formations of the two type of PFZs are different, due solely and exclusively to solute and vacancy depletion, respectively. A mechanism model was proposed to explain the concurrent formation of the two different type of PFZs during the initial stage of homogenization.     

Static and time-dependent properties of polymer gels around the volume phase transition

Recent progress in the study of the volume phase transition of polymer gels is reviewed. The phenomenological theories of swelling equilibrium and phase transition of gels are summarized, and some basic experimental results on poly-N-isopropylacrylamide (NIPA) gels are compared with the prediction from these theories. Special attention is paid to the elastic properties of the gel network near the volume phase transition. The effect of external stresses on the swelling and the phase transition is analyzed. Some anomalous and unique characteristics revealed in NIPA gels such as shape- and size-dependent swelling and phase transition properties, curious phase coexistence, and domain structure are presented. Experimental results on some time-dependent phenomena such as phase separation, spinodal decomposition, and pattern formation are also presented and discussed. Some problems inherent to gels from biological bodies are briefly discussed.     

带作用的群系的临界结构

在本文中，我们讨论了带作用群的群系的临界结构，给出了处理允许某些作用群的群的问题的一般方法，作为应用，我们特别给出了关于幂零群及ｐ－幂零群的一些结果。     

正电子冲击下氦电离三重微分截面的理论计算

我们发展了一种正电子碰撞原子电离的畸变波Born近似方法, 在这个方法中,正负电子偶素通道通过一个ab initio的光学势附加到入射粒子和靶的相互作用势上,且通道对电离作用被第一次被考虑在正电子碰撞原子电离的过程中. 应用这个方法计算了在50 eV入射能量范围氦的电离的三重微分截面,计算结果和实验数据很好的符合.     

A model for crack formation during active solid pyrolysis of a char-forming solid: crack patterns; surface area generation; volatile mass efflux

A model is developed for the formation and propagation of cracks in a material sample that is heated at its top surface, pyrolyses, and then thermally degrades to form char. In this work the sample is heated uniformly over its entire top surface by a hypothetical flame (a heat source). The pyrolysis mechanism is described by a one-step overall reaction that is dependent nonlinearly on the temperature (Arrhenius form). Stresses develop in response to the thermal degradation of the material by means of a shrinkage strain caused by local mass loss during pyrolysis. When the principal stress exceeds a prescribed threshold value, the material forms a local crack. Cracks are found to generally originate at the surface in response to heating, but occasionally they form in the bulk, away from ever-changing material boundaries. The resulting cracks evolve and form patterns whose characteristics are described. Quantities examined in detail are: the crack spacing in the pyrolysis zone; the crack length evolution; the formation and nature of crack loops which are defined as individual cracks that have joined to form loops that are disconnected from the remaining material; the formation of enhanced pyrolysis area; and the impact of all of the former quantities on mass flux. It is determined that the mass flux from the sample can be greatly enhanced over its nominal (non-cracking) counterpart. The mass efflux profile qualitatively resembles those observed in Cone Calorimeter tests.     

多孔阳极氧化铝膜形成机理的研究

为了探讨多孔阳极氧化铝膜的形成机理,在0．3mol／L的草酸溶液中,通过二次阳极氧化法制备了多孔氧化铝膜．X射线衍射和扫描电镜测量表明,本实验制备了高度有序的、非晶态结构的多孔氧化铝膜．通过分析阳极氧化过程中的电解电流随时间变化的关系,研究了多孔氧化铝膜的形成机理．     

极大子群的性质对有限群结构的影响

设H为有限群G的一个子群。称H在G中是s-半正规的,若对任意的素数p||G|,只要(p,|H|)=1,就有PH=HP,其中P∈Sylp(G);称H在G中是c-可补的,若存在G的子群N,使得G=HN且H∩N≤HG=CoreG(H)。证明了下面定理设F是一个包含超可解群类U的饱和群系,H△G,且G/H∈F。则G∈F,若下列条件之一成     

偶极子声源在径向厚度有限的模拟地层井孔中激发的声场

利用实轴积分法对偶极子声源在径向厚度有限的模拟地层井孔中激发的声场进行了数值模拟,考察了不同声源、源距、模拟地层半径和最外层吸声介质对井内声场的影响。数值计算结果表明:对于偶极子声源,如果模拟地层为声速较低的泥岩,无论最外层吸声介质为流体还是固体,在源距为3.0～4.064 m时,模拟地层半径为1.2 m就能保证刻度井中的"初至波"不受模拟地层外边界的影响;若要使声波全波列的主要部分不受该界面的影响,则模拟地层的半径需要更大;如果模拟地层为声速很高的白云岩,最外层吸声材料宜使用声阻抗合适的固体介质,即使这样,模拟地层半径还需达到2.6 m。这些结果可为模块地层声速刻度井的构建提供理论参考。     

Defect structure and migration in Fe3O4

We present the results of a computer simulation study of the defect formation and migration energies in Fe₃O₄. Calculated Frenkel and Schottky energies are found to be similar in magnitude and both are considerably reduced by screening due to electron redistribution around the charged-defect species. The calculations also suggest that cation diffusion is mainly effected by a colinear interstitialcy mechanism at low P_o2 and by a simple octahedral vacancy mechanism at higher P_o2.