LiNbO_3单晶体直拉法生长时组分过冷所形成的胞状界面和胞状组织

对于沿[0001]生长的LiNbO_3单晶体,组分过冷形成的胞状界面和胞状组织进行了形态学的研究(组分过冷是由于操作上的原因在熔体中掺入了Al_2O_3而引起的),确定了胞状界面和胞状组织的基本形态。胞状界面是由相毗邻的三角锥组成,三角锥的稜锥面为{0112}面组,毗邻的三角锥体间存在沟漕,其中的熔体中浓集溶质。在长成的晶体中的胞状组织或是由{1210}面构成的其母线平行于[0001]方向的稜柱体,或是由溶质浓集的三{1210}面相交而成的三叉。实验观测证实了白丝、白点、云层及溶质尾迹是胞状组织的某种表现,而温度起伏是形成间歇式胞状组织的原因。通过胞状界面的形态研究,确定了形态干扰的某些具体形式,并证实了破坏界面稳定性的形态干扰与界面邻近流体的动量边界层的稳定性有关。文章最后讨论了高熔点氧化物晶体与金属晶体的胞状组织在形态上的差异,认为是由于两类物质的不同熔化熵而产生的。     

LiNbO3晶体-熔体界面的失稳及向胞状界面演化的实验研究

利用周期旋转生长条纹作为时标(timemarker),研究了直拉法掺钇LiNbO₃的各向异性生长系统中晶体-熔体界面的失稳及向胞状界面的演化。测得平界面失稳的临界条件,观测到失稳初期的界面上存在的两种干扰,即正弦式干扰和正弦式行波干扰。实验结果表明,平界面失稳后,经历正弦干扰、干扰振幅的增长、干扰的小面化、干扰的合并,最后演化为稳态胞状界面。实验观测还表明,稳态胞状界面的波长甚大于界面初始干扰的波长,且为初始干扰波长的整数倍;以及同一系统中平界面向胞状界面转变的临界生长速度小于胞状界面向平界面转变的临界速度,这表明小面化的胞比非小面的平面更为稳定。 关键词：     

快速凝固Ti-Cu-Fe合金的相组成与组织演变规律

采用落管无容器处理技术实现了Ti_61.2Cu_32.5Fe_6.3三元包共晶合金在自由落体条件下的快速凝固,获得了直径为80—1120μm液滴的凝固组织.实验中获得的过冷度范围为34—293 K,最大过冷度达0.23T_L.研究发现,在自由落体条件下,由于受到无容器、微重力、超高真空等因素的影响,合金熔体的凝固组织中包含Cu_0.8Fe_0.2Ti相、CuTi₂相和CuT₃相,显著偏离了平衡状态.Cu_0.8Fe_0.2Ti为初生相,同时又与CuTi₂相形成两相共晶;CuTi₃相则呈现枝晶形貌,并发生了明显的溶质截留效应.随着过冷度的增大,共晶组织由层片共晶向不规则共晶转变,形貌由长条状共晶团变为椭球状共晶团,最终变为球状共晶胞;Cu_0.8Fe_0.2Ti相枝晶形貌由粗大枝晶变为碎断枝晶,进一步变成不规则的粒状晶粒;CuTi₃相枝晶则由碎块状转变为完整枝晶.     

高分辨X射线衍射研究杂质对晶体结构完整性的影响

用水溶液生长晶体的方法生长出了不同掺杂的Sr(NO₃)₂晶体.用电子探针研究了杂质在晶体中的分布情况.结果表明,杂质在晶体中存在扇形分凝,其中Ba在{100}扇形区的含量大于{111}扇形区,而Pb的分凝情况相反,在{111}扇形区的含量大于{100}扇形区.用高分辨X射线衍射摇摆曲线技术研究了纯的、掺Ba的和掺Pb的Sr(NO₃)₂晶体的完整性情况,并用X射线衍射动力学理论计算了完整Sr(NO₃ 关键词： 高分辨X射线衍射 杂质 水溶液晶体生长     

微重力条件下Ni-Cu合金的快速枝晶生长研究

采用落管方法实现了Ni-50%Cu过冷熔体在微重力和无容器条件下的快速枝晶生长.对微重力条件下的晶体形核和快速生长进行了研究，发现随着过冷度的增大，晶体生长形态由粗大枝晶向规划均匀的等轴晶转变.实验中最大冷却速率达到8×103K/s，获得了218K(014TL)的最大过冷度.理论分析表明，过冷熔体中优先发生异质形核，形核率可达1012m-3s-1以上；Ni-50%Cu过冷熔体中的枝晶生长随过冷度的增大发生由溶质扩散控制向热扩散控制的生长动力学机理转变.在68K过冷度条件下，生长界面前沿的偏析程序最大. 关键词： 落管 微重力 深过冷 枝晶 熔体     

C60单晶的表面形貌与生长缺陷

用气相法生长出了毫米尺寸的具有规则晶面和金属光泽的高质量的纯C₆₀单晶.X射线衍射分析表明,C₆₀单晶在室温下具有面心立方(fcc)结构,晶格常数为α=1.4199(4)nm。用扫描电子显微镜和光学显微镜观察了C₆₀单晶的形貌,除观察到fcc结构的晶体所特有的{111}和{200}两种稳定晶面以及非常容易形成的孪晶之外,还发现了在{111}面上的树枝状、垄状和生长丘以及在{200}面上的树枝状、游泳池状和生长丘的生长缺陷。对C_{60 关键词：}     

深过冷三元Ni-Cu-Co合金的快速枝晶生长

研究了深过冷条件下三元Ni₈₀Cu₁₀Co₁₀合金的快速枝晶生长, 采用电磁悬浮无容器处理方法获得了335 K(0.2T_L)的最大过冷度. X射线衍射分析与差示扫描量热分析均表明,凝固组织为α-Ni单相固溶体. 随过冷度增大, 凝固组织显著细化, 并且当过冷度达110 K时，凝固组织的形态由粗大形枝晶转变为等轴晶. 深过冷条件下溶质截留效应增强, 使得微观偏析程度减小. 对不同过冷度下合金枝晶的生长速度进 关键词： 深过冷 枝晶生长 快速凝固 溶质截留     

矿化剂浓度和温度对水热法合成氧化锌晶体形态的影响

采用水热法，通过改变矿化剂浓度和温度合成了具有不同形态的氧化锌晶体。在较低的温度(350℃)，填充度为35％。矿化剂KOH浓度小于2mol／L时，只合成了氧化锌微晶。当矿化剂KOH浓度大于3mol/L时，合成出多种形态氧化锌晶体，大的晶体达到几十到几百微米，小晶体仅几微米。当矿化剂KOH浓度从4mol／L增加到5mol／L时，晶体的大小没有明显改变。在高矿化剂条件下合成的晶体显露完整的晶面结构，主要显露柱面m{1010}、锥面p{1011}、负极面O面{0001}，有时也显露Zn面{0001}。晶体表面出现斑坑，显示出晶体的表面缺陷。在430℃，填充度为35％，矿化剂KOH浓度大于1．5moL／L时。合成了多种形态氧化锌晶体，大晶体有几十到几百微米，小晶体仅几微米。当矿化剂KOH浓度为2mol／L，KBr浓度为lmol/L时，最大晶体的长度达到1mm。矿化剂KOH浓度为4mol/L时，晶体没有增大。粒度较大的氧化锌晶体形状多为六棱锥体，显露柱面m{1010}、锥面p{1011}、负极面O面{0001}。晶体表面光滑，完整性好。质量高于350℃时合成的晶体。     

深过冷Ag-Cu-Ge三元共晶合金的相组成与凝固特征

在Ag_38.5Cu_33.4Ge_28.1三元共晶合金的深过冷实验中，获得的最大过冷度为175 K(0.22T_E). XRD分析表明，不同过冷条件下其共晶组织均由(Ag),(Ge)和η(Cu₃Ge)三相组成. 在小过冷条件下，三个共晶相协同生长，凝固组织粗大.随着过冷度的增大，共晶组织明显细化，(Ge)相与其他两相分离，以初生相方式生长，而(Ag)相与η相始终呈二相层片共晶方式共生生长. 当过冷度超过80 K时，初生相(Ge)由小过冷时的块状转变为具有小面相特征的枝晶方式生长. 部分小面相(Ge)枝晶出现规则的花状，花瓣数介于5—8之间，并且过冷度越大(Ge)相越容易分瓣. 花状(Ge)枝晶的晶体表面为{111}晶面簇，择优生长方向为〈100〉晶向族. 关键词： 三元共晶 晶体形核 深过冷 快速凝固     

KTiOPO4晶体理论习性

为了解决复杂结构离子晶体接触能E_att计算上的困难,本文给出了按PBC(periodic bond chain)理论导出的公式,并将其编成计算机程序。应用PBC理论,从KTiOPO₄晶体结构,对其界面进行分类表明,{100},{011}为F单形;{210},{101}和{010}为较重要的S单形;而{001}单形的晶面,属K面。根据以上公式及程序对各单形E_att进行了计算,得出了各晶面的相对重要性,其结果与观测结果符合得很好。文中提出的公式 关键词：     

Thin layers of aluminium: A molecular orbital study

Molecular beam epitaxy has been used to prepare thin layers (200 nm thickness) of aluminium grown either on aluminium or gallium arsenide substrates; their He(I) and He(II) photoelectron spectra have been recorded. The quasirelativistic CNDO/1 method has been applied to investigate the band structure of {Al}₁₇₂, {Al}₂₈₄ and {Al}₄₂₄ clusters obtained by a duplication of the unit cell: the DOS profiles and their projections were generated. These data were correlated with the periodic crystal orbitals of the EHT quality. The first excitation energy serves as a better estimate of the vanishing energy gap showing thus a metallic character of aluminium.     

Contact angle and surface morphology of KCl crystal-melt interface studied by the “bubble method”

The validity of the “bubble method” is discussed for the measurements of contact angles between a crystal and its own melt and for the observations of interface morphology. Experiments were done on KCl crystals pulled in various directions. Gold decoration technique was employed to observe the surface morphology. The measurement of the contact angle a is valid for the 〈100〉 axis of pulling but lacks accuracy for the other directions. The {100} interface shows two dimensional nucleation, curved growth fronts and no trace of a liquid layer. The {110}, {310}and {111} interfaces show steps and pyramids constituted by {100} facets, completely stripped of the melt, and “structureless” regions resulting from freely frozen liquid surface.     

Initial stages in the growth of {111}-faceted CoCr<Subscript>2</Subscript>O<Subscript>4</Subscript> clusters: mechanisms and strained nanometric pyramids

The epitaxial growth of ferrimagnetic CoCr₂O₄ films on MgAl₂O₄(001) results in self-organized {111}-faceted pyramids and hut clusters having base dimensions that can reach above a micron in size. This paper reports the morphology and structural characterization of the initial stages of film growth. Three distinctive stages are identified as the growth proceeds: in the initial stage the surface is homogeneous, in the second one nanometric strained pyramids appear, and in the third one there are relaxed pyramids and hut clusters that continue growing up to a micronic size. The islands maintain the {111}-faceted surfaces and the spatial order along 110 directions during the process. We discuss the mechanisms that are the origin of first the coherent pyramids and later the spectacular growth of part of the islands. Besides illustrating the formation process of the final structures, the results presented here demonstrate that arrays of strained {111}-faceted CoCr₂O₄ pyramids with nanometric dimensions can be fabricated. PACS 81.07.-b; 68.65.-k     

Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations

By molecular dynamics simulations employing an embedded atom method potential,we have investigated structural transformations in single crystal Al caused by uniaxial strain loading along the [001],[011] and [111] directions. We find that the structural transition is strongly dependent on the crystal orientations. The entire structure phase transition only occurs when loading along the [001] direction,and the increased amplitude of temperature for [001] loading is evidently lower than that for other orientations. The morphology evolutions of the structural transition for [011] and [111] loadings are analysed in detail. The results indicate that only 20% of atoms transit to the hcp phase for [011] and [111] loadings,and the appearance of the hcp phase is due to the partial dislocation moving forward on {111} fcc family. For [011] loading,the hcp phase grows to form laminar morphology in four planes,which belong to the {111} fcc family; while for [111] loading,the hcp phase grows into a laminar structure in three planes,which belong to the {111} fcc family except for the (111) plane. In addition,the phase transition is evaluated by using the radial distribution functions.     

Spontaneous magnetostriction of Y2Fe16Al compound

The structure and magnetic properties of Y₂Fe₁₆Al compound have been investigated by means of x-ray diffraction and magnetization measurements. The Y₂Fe Fe₁₆Al compound has a hexagonal Th$_{2}$Ni$_{17}$-type structure. Negative thermal expansion was found in Y₂Fe₁₆Al compound in the temperature range from 332 to 438K by x-ray dilatometry. The coefficient of the average thermal expansion is \alpha =-3.4\times 10^-5K^-1. The spontaneous magnetostrictive deformations from 293 to 427K have been calculated based on the differences between the experimental values of the lattice parameters and the corresponding values extrapolated from the paramagnetic range. The result shows that the spontaneous volume magnetostrictive deformation \textit{$\omega $}$_{\rm S}$ decreases from 5.4$\times $10^-3to near zero with temperature increasing from 293 to 427K, the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm c}$ along the $c$ axis is much larger than the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm a}$ in basal-plane in the same temperature range except near 427K.     

Polarity effects on ZnO films grown along the nonpolar [1120] direction

The surface electrical properties of ZnO thin films grown along the nonpolar [1120] direction have been investigated by Kelvin probe microscopy on a nanometer scale. Two different charge domains, with a 75 meV work function difference, coexist within the ZnO surface, which is covered by rhombohedral pyramids whose sidewalls are shown to be {1011}-type planes. The presence and relative orientation of the two kinds of charge domains are explained in terms of the atomic arrangement at the {1011} polar surfaces.     

The chemical composition of a metal/ceramic interface on an atomic scale: The Cu/MgO {111} interface

The chemical composition profile across a Cu/MgO {111}-type heterophase interface, produced by the internal oxidation of a Cu(Mg) single-phase alloy at 1173 K, is measured via atom-probe field-ion microscopy with a spatial resolution of 0.121 nm; this resolution is equal to the interplanar spacing of the {222} MgO planes. In particular, we demonstrate directly that the bonding across a Cu/MgO {111}-type heterophase interface, along a <111> direction common to both the Cu matrix and an MgO precipitate, has the sequence Cu|O|Mg... and not Cu|Mg|O...; this result is achieved without any deconvolution of the experimental data. Before determining this chemical sequence, it was established, via high-resolution electron microscopy, that the morphology of an MgO precipitate in a Cu matrix is an octahedron faceted on {111} planes with a cube-on-cube relationship between a precipitate and the matrix; that is, {111}_Cu//{222}_MgO and <110>_Cu // <110>_MgO.     

Orientation dependence of texture evolution in cold-rolled Ni3Al single crystals

Texture evolutions of cold-rolled thin foils of binary stoichiometric Ni₃Al single crystals were examined as a function of the initial crystal orientation. In the cases of the initial rolling direction (RD) close to ?001?, a double {110} {112} texture associated with a banded structure tends to develop irrespective of the initial foil normal direction (ND). The macroscopic shape of these foils with the banded structure is straight and simply elongated along RD, keeping their rectangular shape. In contrast, when the initial RD is close to {112}, the texture and the microstructure are rather uniform without the texture splitting and the banded structure formation. The foils of group B are macroscopically curved, twisted and eventually cracked from the side edge of the samples. Tendencies of the lattice rotations vary with the initial ND in the latter case. According to the plastic strain analysis, the formation of the banded structure is found to be essential for fabricating the thin straight foils in the case of the cold rolling of Ni₃Al single crystals.