Stability of travelling wave solutions for coupled surface and grain boundary motion

We investigate the spectral stability of the travelling wave solution for the coupled motion of a free surface and grain boundary that arises in materials science. In this problem a grain boundary, which separates two materials that are identical except for their crystalline orientation, evolves according to mean curvature. At a triple junction, this boundary meets the free surfaces of the two crystals, which move according to surface diffusion. The model is known to possess a unique travelling wave solution. We study the linearization about the wave, which necessarily includes a free boundary at the location of the triple junction. This makes the analysis more complex than that of standard travelling waves, and we discuss how existing theory applies in this context. Furthermore, we compute numerically the associated point spectrum by restricting the problem to a finite computational domain with appropriate physical boundary conditions. Numerical results strongly suggest that the two-dimensional wave is stable with respect to both two- and three-dimensional perturbations.     

三维溶质枝晶生长数值模拟

建立了在低Péclet数条件下三维溶质枝晶生长的数值模拟模型.该模型采用Zhu和Stefanescu 提出的溶质平衡方法,即根据固/液界面的平衡浓度和实际浓度之差计算固/液界面演化的驱动力.界面的平衡浓度由界面温度和曲率所确定,实际浓度通过采用有限差分法对溶质扩散控制方程进行数值求解而获得.该方法能够合理定量地描述枝晶从初始的非稳态到稳态的生长过程,并且具有较高的计算效率.为了描述具有不同晶体学取向的三维枝晶生长,提出了一种权值平均曲率算法用于计算固/液界面的曲率,在权值平均曲率的算法中耦合了界面能各向异性的因素.该算法简单易实现,并易于从二维推广到三维系统.为了对模型进行验证,将模拟的枝晶尖端稳态生长数据和理论模型的预测结果进行了比较.结果表明,模拟的Al-2wt%Cu合金枝晶尖端稳态生长速率和半径随过冷度的变化接近于Lipton-Glicksman-Kurz解析模型的预测结果.模拟分析了稳态枝晶尖端的形貌,发现三维枝晶尖端是非轴对称的,以四次对称的方式偏离旋转抛物面.最后,应用所建立的模型模拟出具有发达分枝和不同晶体学取向的三维等轴多枝晶生长形貌. 关键词： 微观组织模拟 溶质枝晶生长 权值平均曲率 三维     

Long-time translation and rotational Brownian motion in two dimensions

The long-time translational and rotational motion of a Brownian particle in two dimensions is studied on the basis of the fluctuation-dissipation theorem and linearized hydrodynamics. The long-time motion follows from the low frequency behavior of the mobility matrix. The coefficient of the long-time tail for the translational motion turns out to be independent of shape and size of the body, in agreement with mode-coupling theory. For rotational Brownian motion the coefficient of the long-time tail is found to depend on the shape of the body. This result is in conflict with a recent prediction from mode-coupling theory, and indicates that the mode-coupling calculation should be revised.This article is dedicated in friendship to Prof. Matthieu Ernst on the occasion of his 60th birthday.     

Theory of grain boundary motion during high-temperature DIGM

A theory of diffusion induced grain boundary migration (DIGM) is presented for high temperatures where volume diffusion of solute atoms out of the grain boundary is important. It is shown that due to the presence of a gradient term in the expression for the free energy of solid solution, even a relatively small discontinuity in the solute distribution across the gain boundary provides enough driving force for grain boundary migration. From the expression obtained for the grain boundary velocity the coefficient for the Ni diffusion across the grain boundaries in a Cu(Ni) polycrystal has been estimated.     

Stationary states of crystal growth in three dimensions

A new Markov process describing crystal growth in three dimensions is introduced. States of the process are configurations of the crystal surface, which has a terrace-edge-kink structure. The states are continuous along edges but discrete across edges, in accordance with the very different rates for the two types of captures of particles. Stationary distributions, describing steady crystal growth, are found in general. To our knowledge, these are the first examples of stationary distributions for layered crystal growth in three dimensions. The steady growth rate and other quantities are obtained explicitly for two interacting edges. For many interacting edges, growth behavior is determined (a) in various asymptotic regimes including thermodynamic limits, (b) via simulations, and (c) using series (cluster) expansions in the slope of the surface, the first three coefficients being computed. The theoretical growth rates show a marked dependence on surface dimensions. This may contribute to the size dependence and dispersion in the observed growth rate of small crystals.     

Monte Carlo simulation of grain growth in polycrystalline materials

Understanding the kinetics of grain growth, under the influence of second phase (such as impurities, voids and bubbles) is fundamental to advances in the control of microstructural evolution. As a precursor to this objective, we have investigated the grain growth kinetics in a polycrystalline material using a standard Q-state Potts’ model under Monte Carlo settings. Based on physical reasoning, new modifications are suggested to circumvent some of the disadvantages in the basic Potts model. The efficacy of these modifications vis-à-vis the basic model is verified. The influence of second phase particles on the impurity loaded grain boundaries is investigated for the study of grain growth kinetics.     

Grain boundary misorientation changes during grain growth in pure aluminium

A new method is described for data-logging large amounts of grain boundary misorientation information from channelling patterns in the scanning electron microscope (SEM). The method relies on producing specimens where the grain size is larger than the specimen thickness and where the grain boundary planes are perpendicular to the specimen plane (the so-called columnar structure). Results for grain growth in pure aluminium at 460 and 500°C are presented. There is an increase in the proportion of low angle boundaries at the expense of high angle boundaries during growth times of up to a few hours. The reasons are thought to be partly connected with lower low angle boundary mobility compared with high angle boundaries. However, the growth kinetics appear to be normal over the entire growth time range.     

Kinetic theory of nonlinear viscous flow in two and three dimensions

On the basis of a nonlinear kinetic equation for a moderately dense system of hard spheres and disks it is shown that shear and normal stresses in a steady-state, uniform shear flow contain singular contributions of the form ¦X¦^3/2 for hard spheres, or ¦X¦ log ¦X¦ for hard disks. HereX is proportional to the velocity gradient in the shear flow. The origin of these terms is closely related to the hydrodynamic tails t^–d/2 in the current-current correlation functions. These results also imply that a nonlinear shear viscosity exists in two-dimensional systems. An extensive discussion is given on the range ofX values where the present theory can be applied, and numerical estimates of the effects are given for typical circumstances in laboratory and computer experiments.Supported by National Science Foundation grant No. CHE-73-08856 (to HvB, JRD, and JS) and the Center for Theoretical Physics of the Univ. of Md. (to HvB).On leave from Institute of Theoretical Physics, Warsaw University, Warsaw, Poland.     

On backflow in two and three dimensions

The interaction between the backflow patterns generated by two slowly-moving impurities in an arbitrary liquid is examined in both three- and two-dimensional systems. It is concluded that this interaction becomes more important as the dimensionality is reduced.     

Diffusion Monte Carlo analysis of the crossover from three to two dimensions for trapped Bose gases

We investigate the crossover from three to two dimensions for harmonically trapped hard-sphere Bose gases by varying the aspect ratio of the trapping potential. The diffusion Monte Carlo method is used to calculate both the ground-state energy and structural properties. The effect of trap anisotropy, interparticle interaction, and number of particles on the ground-state properties is discussed. Our results show that the minimum value of the aspect ratio at which the system reaches an asymptotic equilibrium distribution in the weakly confined direction decreases with increasing scattering length, while the minimum value of the aspect ratio at which the system enters the quasi-two-dimensional (2D) regime increases as both the scattering length and the number of particles increase. Additionally, the role played by particle correlations is proved to be more pronounced in the quasi-2D system than in the three-dimensional (3D) system by directly comparing the ground-state properties for the two cases.     

Multifractal dimensions for branched growth

A recently proposed theory for diffusion-limited aggregation (DLA), which models this system as a random branched growth process, is reviewed. Like DLA, this process is stochastic, and ensemble averaging is needed in order to define multifractal dimensions. In an earlier work by Halsey and Leibig, annealed average dimensions were computed for this model. In this paper, we compute the quenched average dimensions, which are expected to apply to typical members of the ensemble. We develop a perturbative expansion for the average of the logarithm of the multifractal partition function; the leading and subleading divergent terms in this expansion are then resummed to all orders. The result is that in the limit where the number of particlesn, the quenched and annealed dimensions areidentical; however, the attainment of this limit requires enormous values ofn. At smaller, more realistic values ofn, the apparent quenched dimensions differ from the annealed dimensions. We interpret these results to mean that while multifractality as an ensemble property of random branched growth (and hence of DLA) is quite robust, it subtly fails for typical members of the ensemble.     

Seven basic regimes of steady crystal growth in two dimensions

Using a Markov rate-process model, exact expressions are found for the steady growth rate of an edge of a two-dimensional crystal in terms of the numberM of particles along the edge, the height difference (or number of permanent steps)K along the edge, the nucleation rate , and the speed + of movement of steps. The familiar growth regimes can be identified with asymptotic regimes for the parametersK, (v/)^1/2, andM. From a mathematical viewpoint, there are seven basic regimes, of which the known physical regimes are special cases.     

Interaction of polarons in two and three dimensions

Two-dimensional and three-dimensional bipolarons of large radius, symmetrized with respect to the coordinate parts of the two-center wave functions, are investigated in the adiabatic approximation with allowance for dynamic interelectronic correlations. The adiabatic potential lines are plotted. It is shown that the quasimolecular configuration appearing in the Hartree-Fock approximation is unstable in both the two-dimensional and the three-dimensional cases. The ground state is a one-center configuration. Estimates are given for the binding energy and the heat of dissociation of a bipolaron. Fiz. Tverd. Tela (St. Petersburg) 39, 441–443 (March 1997)     

Charged exciton resonances in two and three dimensions

Resonances of three-body Coulomb systems are investigated in two and three dimensions. The complex scaling method combined with the stochastic variational approach has been used to calculate the position (energy and width) of the resonance states. The dependence of the resonance states on the mass ratio of the constituents and the dimensionality of the space is studied. It is found that the width of the resonance states behaves very differently in 2D and 3D for molecule-like cation systems. The calculated lifetimes of the resonances are in the nano- and picosecond region, and these states might be experimentally observable in excitonic trions in semiconductor quantum dots. Correspondence: K. Varga, Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235, USA