Campbell Laird(Dept. of Materials Science & Engineering
,
University of Pennsylvania
,
Philadelphia
,
PA 19104-6272
,
USA)Pedro Peralta(Center for Materials Science
,
Los Alamos National Laboratory
,
MaU Stop K765
,
Los Alamos
,
NM 87545-0001
,
USA)
材料科学技术（英文）
The mechanisms of fatigue crack propagation are breifly reviewed in relation to Professor McClintock's contributions to the early development of the field. The most securely established understanding has been obtained for those mechanisms of propagation involving plasticity-inducedgeometrical changes to the crack tip during tensile and compressive straining (the plastic blunting process). The roles of more complex factors in controlling the kinetics of crack propagation,which cause the magnitude of the Paris exponent to exceed 2, remain to be elucidated. Recentlyobtained results revealing the interconnection between the slip behaviour at the crack tip, theplastic blunting process and the dislocation structures present in the material before the crackencounters them are reported.
关键词:
陈雷
,
马世成
,
冯庆荣
,
董兴辉
,
朱凌志
低温物理学报
利用混合物理化学气相沉积法(Hybrid physical-chemical vapor deposition简称为(HPCVD)在(0001) SiC衬底上制备了干净的MgB2超导超薄膜.在背景气体、压强、载气氢气流量以及B2H6的流量一定的情况下,改变沉积时间,制得一系列MgB2超薄膜样品.通过观察样品的表面形貌变化探究了MgB2超薄膜的生长过程.该系列超薄膜的生长遵循Volmer-Weber岛状生长模式且沿c轴外延生长.以20nm超薄膜作为例子,可知其表面连接性良好,超导转变温度Tc (0)≈38.5K,临界电流密度Jc≈0.82×107 A/cm2,表明了利用HPCVD在(0001) SiC衬底上制备的MgB2超薄膜有很好的性能.这预示其在超导电子器件上具有广阔的应用前景.
关键词:
SiC衬底
,
MgB2超薄膜
,
混合物理化学气相沉积
韩荣江
,
王继扬
,
胡小波
,
董捷
,
李现祥
,
李娟
,
王丽
,
徐现刚
,
蒋民华
人工晶体学报
doi:10.3969/j.issn.1000-985X.2004.03.013
利用光学显微镜的反射模式观察了升华法生长的6H-SiC单晶(0001)Si-面的生长形貌,应用台阶仪测定了生长台阶高度.实验发现,6H-SiC单晶的生长台阶呈螺旋状,生长台阶呈现出了韵律束合现象.在单晶中间部分,生长台阶稀疏,台面较宽,约80μm左右,台阶高度较小,约20～50nm,比较宽的台面上存在小生长螺旋.外围单晶区域,生长台阶比较密集,其台阶高度较大,约300～700nm,台面宽度较小,约2～5μm.生长台阶在前进过程中受单晶中的微管缺陷影响,在微管的附近出现弯曲.
关键词:
6H-SiC单晶
,
表面生长形貌
,
生长台阶
,
韵律束合现象
Shanrong ZHAO
,
Jiyang WANG
,
Daliang SUN
,
Jing LI
,
Xiaobo HU
材料科学技术（英文）
The {0001} face develops on the habit of self-frequency doubling laser crystal Yb: YAl3(BO3)4 (YbYAB) only under high growth rate condition, and its morphology is rough. To study the growth mechanism of {0001} face, we have observed the growth morphology on {0001} polishing section by atomic force microscopy (AFM). A series of AFM images captured in different growth durations on the {0001} polishing section reflect the crystal growth process. It is shown that the growth morphology on the {0001} polishing section was rough with many hillocks at the first growth stage, and it can become smooth finally, although the growth morphology on the {0001} face developed naturally on YbYAB crystal habit is always rough. On the smooth {0001} surface formed at the last growth stage, there are some triangular pits. This fact is different from that of hillocks in most crystal growth morphologies. AFM can easily distinguish the pits or hillocks on the surface, but differential interfere contrast microscopy (DIC) can not do. The orientation of the triangular pits is just the opposite to the triangular {0001} faces. The chemical etching pattern is also composed of this kind of triangular pits. These growth morphology and etching pattern of the {0001} faces show 3m symmetry, but the point group of YbYAB crystal is 32. The symmetric contradiction between morphology and point group does not exist for quartz, although which has the same point group as YbYAB. From quartz {0001} surface morphology we can distinguish the right form or left form of the crystal, but from YbYAB {0001} surface morphology we can not do. The reason for the symmetric contradiction between YbYAB {0001} surface morphology and its point group is not known yet.
关键词:
Yb: YAl3(BO3)4
,
null
,
null
,
null
屈华
,
刘伟东
,
张坤
,
刘志林
稀有金属材料与工程
基于固体与分子经验电子理论,以改进的TFD理论提出的电子密度连续的量子力学条件为判据,计算了Ti3Al基合金中(0001)a∥(110)β界面的价电子结构.对比分析了单相Ti3Al基合金(0001)a2-Ti3Al∥(0001)a2-(TiMy)Al界面与多相Ti3Al基合金(0001)a2-Ti3Al∥(110)β-Ti0.5xAl0.5M0.5y,(0001)a2-(TixMy)Al∥(110)β-Ti0.5xAl0.5M0.5y界面电子结构.从电子结构层次上初步解释了延性β相改善合金薄弱的相界面电子结构与键结合,增加界面稳定性与连续性,提高合金强韧性的微观本质.
关键词:
Ti3Al基合金
,
界面
,
价电子结构
,
韧性机制
江涛
,
褚海亮
,
齐艳妮
,
李微雪
,
孙立贤
催化学报
采用密度泛函理论研究了氢气在镍掺杂的镁(0001)面上的解离吸附过程.通过固定键长法计算得到氢分子在镍掺杂的镁(0001)面上的解离能垒为0.09 eV,而在清洁镁(0001)面上,氢气的解离能垒为1.15 eV.电子结构分析表明,解离能垒的降低是由于氢分子与表面镍原子形成反馈键并被填充所致.这一计算结果表明,在镁中加入过渡金属催化剂会大大提高储氢材料的动力学性能.
关键词:
镍
,
镁
,
掺杂
,
储氢材料
,
密度泛函理论
,
氢气
,
解离
Journal of Physics-Condensed Matter
We investigated the stable (0001) surfaces of M(2)AlC (M = Ti, V and Cr) using the first-principles plane-wave pseudopotential total energy method. Four possible (0001) terminations were considered by breaking the M-Al and M-C bonds. The corresponding surface energies were calculated and compared. The Al-and M(C)-terminated (0001) surfaces demonstrated better stability than the C- and M(Al)-terminated surfaces by their much lower surface energies. In addition, the stability of surfaces was predicted under various chemical environments as a function of chemical potentials. We further investigated the character of surface relaxations. The electronic structures of the stable Al- and M(C)-terminated surfaces were analyzed.
关键词:
ab-initio calculations;ti3sic2 thin-films;electronic-structure;elastic stiffness;al;deposition;cr2alc;simulation;adhesion;solids
秦娜
,
赵辉
,
刘士余
人工晶体学报
应用密度泛函理论的第一性原理的方法分析了两种不同终端的NbB2(0001)表面的几何结构和电子结构.结果表明:两种不同终端的(0001)表面结构弛豫主要发生在前三层,并且硼终端的表面弛豫程度小于铌终端表面的弛豫.表面能分析结果表明,终止于硼终端的(0001)表面结构在更宽的范围内具有较低的表面能,即硼终端的(0001)表面比铌终端的表面更稳定.进一步分析NbB2( 0001)两种终端表面的电子结构表明:在金属铌和硼之间发生了电子转移,加强了化学键的相互作用,导致第一间层向内弛豫.对于铌终端的表面第一层铌转移到第二层的电子数比硼终端表面第二层铌转移到第一层的电子数多,这是导致铌终端表面弛豫程度大于硼终端表面的主要原因.
关键词:
密度泛函理论
,
NbB2(0001)表面
,
表面弛豫
,
表面能
张健
,
周惦武
,
黄雅妮
,
彭平
,
刘金水
稀有金属材料与工程
采用基于密度泛函理论的第一原理计算方法,研究了氢分子(H2)在清洁、空位缺陷及Pd原子吸附的Mg(0001)表面的吸附与解离性能.结果显示:H2在清洁Mg(0001)表面呈较弱的物理吸附,H2解离需克服较高的能垒(1.3774 eV);空位缺陷的存在增强了Mg表面对H2的物理吸附能力,且使H2的解离能垒(1.2221 eV)有所降低;而清洁表面吸附的Pd原子则会与H2产生强烈的化学吸附作用,极大地降低了H2的解离能垒(0.2860 eV).电子结构分析发现:3种表面对H2吸附与解离的催化活性与Mg(0001)表面最上层与H2直接产生吸附作用的金属原子在费米能级(EF)附近s轨道的成键电子数密切相关.
关键词:
Mg(0001)表面
,
吸附
,
解离
,
能垒
J. Du
,
G.Y.Yang and S. Hagegege(General Research Institute for Non-ferrous Metals
,
Beijing 100088
,
China)(CECM-CNRS
,
15 rue G. Urbain
,
94407 Vitry/Seine
,
France Manuscript received 25 September 1995)
金属学报(英文版)
A model Cu-AlN composite has been prepared by ion implantation technique and annealing. The atomic configuration and lattice relationship of a low-energy inherent interface(11)Cn//(0001)AlN were studied by using transmission electron microscopy and geometrical modelling. By analysing the dichromatic pattern of the composite,a primary structural unit of the interface atomic configuration was determined for purpose of HREM image simulations and of studying the structurul relaxation state in the near-interface region.
关键词:
: Cu-AlN
,
null
,
null
,
null
