硅晶体生长速率与过冷度关系的分子动力学模拟研究

基于Tersoff势函数描述硅原子间的相互作用,运用分子动力学方法模拟研究了不同过冷度条件下硅晶体凝固生长速率.结果发现,在一定过冷度范围内,硅晶体的生长速率随过冷度的增大而呈先快速增大后缓慢减小的趋势,并最终趋于不生长.同时,运用Wilson-Frenkel模型从理论上对硅晶体生长速率与过冷度关系进行了预测,分子动力学模拟结果与Wilson-Frenkel模型预测结果基本吻合,表明了硅晶体沿[100]方向的生长是一种扩散型生长.     

二维石墨烯片增强芒硝基复合相变材料导热性研究

探究了二维石墨烯片(GNPs)对复合相变材料导热性的影响,以芒硝基复合相变材料(SCNa)为原料,制备出石墨烯片增强芒硝基复合相变材料(SCNaG).探讨了GNPs添加量对SCNa相变材料导热率的影响,并对其过冷机理进行了讨论.结果表明:复合相变材料导热系数随着GNPs添加量呈线性增加,当GNPs=0wt;时,相变材料导热系数为0.854 W/(m·K);当GNPs=3wt;时,相变材料导热系数为1.405 W/(m·K);随着GNPs添加量的增大相变材料过冷度先减小后增大,当GNPs=0.5wt;时,过冷度低于纯SCNa相变材料,为2.5℃C,当GNPs=3wt;时,过冷度增大至10.9℃.GNPs的添加量对相变材料相变温度影响不大,相变潜热略有减小.     

熔体过冷度对透辉石晶体形貌、成分及过渡层性质的影响

在不同过冷度条件下,硅酸盐熔体结晶得到了透辉石晶体含量合适的样品.实验结果表明透辉石晶体形貌的自形程度随过冷度增加而降低.拉曼光谱分析显示晶体的特征谱峰半高宽随过冷度增加而变宽,拉曼光谱还显示出晶体结构继承玻璃结构的特征.运用电子探针详细分析了透辉石晶体及其生长界面附近成分变化的特点,发现存在约几到十几微米厚的过渡层,并且透辉石晶体成分随过冷度增大Al元素进入到晶体的含量也增加,同时Al元素与Mg元素在结晶过程中的协同作用较强.     

Theoretical model of ice nucleation induced by inertial acoustic cavitation. Part 2: Number of ice nuclei generated by a single bubble

In the preceding paper (part 1), the pressure and temperature fields close to a bubble undergoing inertial acoustic cavitation were presented. It was shown that extremely high liquid water pressures but quite moderate temperatures were attained near the bubble wall just after the collapse providing the necessary conditions for ice nucleation. In this paper (part 2), the nucleation rate and the nuclei number generated by a single collapsing bubble were determined. The calculations were performed for different driving acoustic pressures, liquid ambient temperatures and bubble initial radius. An optimal acoustic pressure range and a nucleation temperature threshold as function of bubble radius were determined. The capability of moderate power ultrasound to trigger ice nucleation at low undercooling level and for a wide distribution of bubble sizes has thus been assessed on the theoretical ground.     

过冷熔体中枝晶生长的相场法数值模拟

利用相场法模拟了过冷纯金属熔体中的枝晶生长过程,研究了各向导性、界面动力学、热扩散和界面能对枝晶生长的影响.结果表明,热噪声可以促发侧向分支的形成,但不影响枝晶尖端的稳态行为;随着各向异性的增加,枝晶尖端生长速度增加,尖端半径减小;当界面动力学系数减小及在界面动力学系数小于1的条件下热扩散系数减小时,枝晶尖端生长速度随之减小,而尖端半径相应增大;界面能趋于增大枝晶尺度并保持界面在扰动下的稳定,界面能越大,形成侧向分支的趋势越小 关键词： 过冷 枝晶生长 相场法 数值模拟     

A moving boundary model motivated by electric breakdown: II. Initial value problem

An interfacial approximation of the streamer stage in the evolution of sparks and lightning can be formulated as a Laplacian growth model regularized by a ‘kinetic undercooling’ boundary condition. Using this model we study both the linearized and the full nonlinear evolution of small perturbations of a uniformly translating circle. Within the linear approximation analytical and numerical results show that perturbations are advected to the back of the circle, where they decay. An initially analytic interface stays analytic for all finite times, but singularities from outside the physical region approach the interface for t→∞, which results in some anomalous relaxation at the back of the circle. For the nonlinear evolution numerical results indicate that the circle is the asymptotic attractor for small perturbations, but larger perturbations may lead to branching. We also present results for more general initial shapes, which demonstrate that regularization by kinetic undercooling cannot guarantee smooth interfaces globally in time.     

深过冷液态Al-Ni合金中枝晶与共晶生长机理

在自由落体条件下实现了液态Al-4 wt.%Ni亚共晶、Al-5.69 wt.%Ni共晶和Al-8 wt.%Ni过共晶合金的深过冷与快速凝固. 计算表明, (Al+Al₃Ni)规则纤维状共晶的共生区是4.8–15 wt.%Ni成分范围内不闭合区域, 且强烈偏向Al₃Ni相一侧. 实验发现, 随液滴直径的减小, 合金熔体冷却速率和过冷度增大, (Al)和Al₃Ni相枝晶与其共晶的竞争生长引发了Al-Ni 共晶型合金微观组织演化. 在快速凝固过程中, Al-4 wt.%Ni亚共晶合金发生完全溶质截留效应, 从而形成亚稳单相固溶体. 当过冷度超过58K时, Al-5.69 wt.%Ni 共晶合金呈现从纤维状共晶向初生(Al) 枝晶为主的亚共晶组织演变. 若过冷度连续增大, Al-8 wt.%Ni过共晶合金可以形成全部纤维状共晶组织, 并且最终演变为粒状共晶.     

The kinetics of solidification of Al-Si eutectic alloys under high pressure

Abstract

The kinetics of crystallization of eutectic alloys Al_100-xSi_x (χ=12, 18, 26 at.%) was investigated under pressures p=0.5, 2.5, 4.5 GPa. The values of supercooling and average grain size of silicon crystals were determined for alloys quenched from melt under different pressures with the cooling rate 10³ K/s. The data obtained were used to evaluate quantitatively the pressure dependences of surface tension (between melt and crystal) and activation energy of crystal growth which, in turn, have made it possible to determine the relative change of nucleation frequency and of the rate of crystal growth with pressure.

The possibility is shown, based on the investigation of mechanical properties of the samples obtained under high pressure, for improving the strength and the plasticity of A1-Si alloys by means of high pressure-high temperature treatment.     

亚稳相的高压暴露

 很久以前,便有人指出,气态冷凝成固态时,要连续经历液相及各种高温相,才达到平衡结晶相。但是,液态及高温相往往需靠很大的冷却速度才能冻结下来,这在当时对绝大多数合金,是不可能的。近些年,随着超急冷等技术的进步,关于非晶等亚稳相得研究十分活跃。当超过一定临界冷却速度时,液态合金可固化为非晶态。虽然,亚稳结晶相较非晶应更容易冻结,但是,由于产生各种亚稳相所需的过冷条件各不相同,以及对冷却速度的选择不能是任意的,因此有时它们较非晶还难于形成。与液相凝固过程相似,非晶合金的晶化也服从构型最小重排原理,即在晶化完成之前,存在某些亚稳相变态阶段。但是,限于热力学上的不稳定性及动力学因素,在常压下这些亚稳相同样是难以发现的。作者根据对多种合金系的研究,提出高压暴露亚稳相的设想,并利用非晶等亚稳相的高压变态过程,将进行液态急冷时的速度控制方式,改为便于掌握的高压退火方式,来获得新亚稳相。本文对压力暴露亚稳相的原理和实践,加以论述。     

Rapid growth of ternary eutectic under high undercooling conditions

~~Rapid growth of ternary eutectic un der high undercooling conditions1.Offerman, S.E., Dijk, N.H., Sietsma, J.et al., Grain nucleation and growth during phase transformations, Science, 2002, 298: 1003-1005. 2.Warren, J.A., Langer, J.S., Prediction of dendritic spacings in a directional-solidification experiment, Phys.Rev.E, 1993, 47: 2702-2712. 3.Cao, C.D., Wang, N., Wei, B., Containerless rapid solidification of undercooled Cu-Co peritectic alloys, Science in China, Ser.A, …