Nucleation time of nanoscale water bridges

Water capillaries bind together grains of sand. They also can bind an atomic force microscope tip to a substrate. The kinetics of capillary condensation at the nanoscale is studied here using friction force microscopy. At 40% relative humidity we find that the meniscus nucleation times increase from 0.7 to 4.2 ms when the temperature decreases from 332 to 299 K. The nucleation times grow exponentially with the inverse temperature 1/T obeying an Arrhenius law. We obtain a nucleation energy barrier of 7.8 x 10(-20) J and an attempt frequency ranging between 4 and 250 GHz, in excellent agreement with theoretical predictions. These results provide direct experimental evidence that capillary condensation is a thermally activated phenomenon.     

Atomistic study of dislocation loop emission from a crack tip

We report the first atomistic calculation of the saddle-point configuration and activation energy for the nucleation of a 3D dislocation loop from a stressed crack tip in single crystal Cu. The transition state is found using reaction pathway sampling schemes, the nudged elastic band, and dimer methods. For the (111)[110] crack, loaded typically at 75% of the athermal critical strain energy release rate for spontaneous dislocation nucleation, the calculated activation energy is 1.1 eV, significantly higher than the continuum estimate. Implications concerning homogeneous dislocation nucleation in the presence of a crack-tip stress field are discussed.     

Enhancing nucleation and controlling crystal orientation by rubbing/scratching the surface of a thin polymer film

We used the tip of an atomic force microscope (AFM) in the contact mode to scratch/rub the surface of a glassy polymer thin film, i.e., isotactic polystyrene (i-PS) at room temperature. After subsequent isothermal crystallization, an extremely high nucleation density of edge-on crystals within the rubbed region or at the edge of the scratched area was observed. Furthermore, a transition from edge-on to flat-on lamellae occurred beyond a certain distance from the edge of the scratched region. Our results demonstrate that both, soft rubbing or hard scratching, allow to lower the nucleation barrier for polymer crystallization and to control the orientation of the resulting crystalline lamellae. The role of scratching/rubbing on chain deformation and its relation to nucleation and crystal orientation in polymer thin films is discussed.     

A mechanism for cutting carbon nanotubes with a scanning tunneling microscope

We discuss the local cutting of single-walled carbon nanotubes by a voltage pulse to the tip of a scanning tunneling microscope. The tip voltage ( V) is the key physical quantity in the cutting process. After reviewing several possible physical mechanisms we conclude that the cutting process relies on the weakening of the carbon-carbon bonds through a combination of localized particle-hole excitations induced by inelastically tunneling electrons and elastic deformation due to the electric field between tip and sample. The carbon network releases part of the induced mechanical stress by forming topological defects that act as nucleation centers for the formation of dislocations that dynamically propagate towards bond-breaking. Received 6 April 2000     

The role of nucleation field of media in heat-assisted magnetic probe recording

We characterize a method of heat-assisted magnetic probe recording on perpendicular media. Heating source is field emission current from a scanning tunneling microscope (STM) tip. Recording media are three kinds of magnetic films, Co/Pt, CoNi/Pt, and Co/Pd multilayers with different nucleation fields. Pulses with amplitude of 5 V were applied between the STM tip and the recording medium. Experiments show that magnetic marks with an average size of 180 nm were formed on both Co/Pt and CoNi/Pt films whose nucleation fields are greater than their saturation magnetization. No marks were observed on the Co/Pd film whose nucleation field is smaller than its saturation magnetization. A model is built to simulate the dynamic process of domain formation in probe-based magnetic recording system. Simulation results agree with experiments and it explains the effect of the nucleation field of medium in perpendicular recording.     

Dynamics of ferroelectric domain formation in an atomic force microscope

The dynamics of ferroelectric domain formation in a non-homogeneous electric field of an atomic force microscope (AFM) tip are considered. Contributions of the apex and the conical part of the tip into the field are taken into account. It is supposed that this process passes through the same stages as the corresponding process in homogeneous external fields. However, the character of these stages may differ significantly. We consider all the stages of this process: formation of a nucleus, its growth, and the equilibrium domain parameters. Quantitative analysis is carried out for barium titanate. It is shown that the activation energy of nucleation strongly decreases with the applied voltage, and it is too small to limit the rate of the process even under low voltages. Dynamic equations for the time dependence of the domain length and radius are constructed and solved. Comparison of the calculated domain sizes with those observed in experiment is carried out. Calculated results obtained using different models for the field of the tip are compared.     

外加电场法制备LiNbO3周期畴的反转电流特性研究

采用外加电场法制备了LiNbO₃单晶周期畴结构. 在对不同尺寸周期畴的反转电流进行比较研究的基础上,提出了一种确定反转畴成核时间和纵向贯穿速率的方法. 根据这一方法,得到在电场强度为25.1kV/mm,脉冲宽度为50 ms的脉冲方波作用下,LiNbO₃单晶反转畴的成核时间约为80ns,纵向贯穿速率约为0.1667m/s. 关键词： 3单晶周期极化')" href="#">LiNbO₃单晶周期极化 反转电流 反转畴成核时间 反转畴纵向贯穿速率     

Slow crack propagation in heterogeneous materials

Statistics and thermally activated dynamics of crack nucleation and propagation in a two-dimensional heterogeneous material containing quenched randomly distributed defects are studied theoretically. Using the generalized Griffith criterion we derive the equation of motion for the crack tip position accounting for dissipation, thermal noise, and the random forces arising from the defects. We find that aggregations of defects generating long-range interaction forces (e.g., clouds of dislocations) lead to anomalously slow creep of the crack tip or even to its complete arrest. We demonstrate that heterogeneous materials with frozen defects contain a large number of arrested microcracks and that their fracture toughness is enhanced to the experimentally accessible time scales.     

体心立方金属钽Ⅱ型裂纹尖端缺陷萌生的多尺度分析

本文采用多尺度准连续介质法(quasi-continuum method, QC)模拟体心立方(body-centered-cubic, bcc)金属钽(Ta)Ⅱ型裂纹尖端位错的形核与发射过程,获得位错发射位置与应力强度因子关系曲线,分析裂纹尖端缺陷萌生过程,研究全位错分解以及扩展位错形成机理. 位错活动在不同阶段表现出不一致的特征,新位错的发射对于位错运动具有促进作用. 研究表明,裂纹扩展初始阶段首先萌生点缺陷,点缺陷随着加载强度增加会萌生新的点缺陷,点缺陷最终运动到边界,导致Ⅱ型断裂破坏. 在全位错发射之前有不全位错的形核与发射表明全位错的分解分步进行,从势能曲线上来看,也就是两个极小值点的形成机理不同. 关键词： 多尺度 准连续介质法 Ⅱ型裂纹 扩展位错     

Controlling polarization dynamics in a liquid environment: from localized to macroscopic switching in ferroelectrics

The effect of disorder on polarization switching in ferroelectric materials is studied using piezoresponse force microscopy in a liquid environment. The spatial extent of the electric field created by a biased tip is controlled by the choice of medium, resulting in a transition from localized switching dictated by tip radius, to uniform switching across the film. In the localized regime, the formation of fractal domains has been observed with dimensionality controlled by the length scale of the frozen disorder. In the nonlocal regime, preferential nucleation at defect sites and the presence of long-range correlations has been observed.     

Crack tip plasticity in dynamic fracture

The mechanics of crack tip plasticity in dynamic crack growth is considered as it influences two modes of dynamic fracture—cleavage and micro-void nucleation, growth and coalescence. The subject is approached using both the continuum theory of visco-plasticity and dislocation dynamics. The viewpoint underlying each approach is that the crack is traveling through material with a relatively high density of pre-existing mobile dislocations. Analysis is directed at discovering the role played by the associated rate-dependent plasticity in establishing conditions for dynamic crack propagation. The theory is far from complete, but the contents of the paper should serve to aid understanding of basic material fracture phenomena, such as cleavability and the ductile-brittle transition, as well as provide a background for the engineering theory of dynamic fracture.     

用运动控制器来终止心律失常

采用Luo-Rudy相Ⅰ心脏模型对通过局部电击使细胞复极化来消除心脏中的螺旋波和时空混沌进行数值模拟.提出利用控制器局部电击螺旋波波头周围的心肌细胞来抑制螺旋波的旋转,使螺旋波漂移出边界,进而控制螺旋波和时空混沌.数值模拟表明:适当选择控制的格点数和膜电位控制阈值,螺旋波和时空混沌都可以被抑制.最少的控制格点数为9个,...     

A kinetic Monte Carlo investigation of island nucleation and growth in thin-film epitaxy in the presence of substrate-mediated interactions

Island nucleation and growth during thin-film epitaxy is typically described using mean-field rate equations, which can be solved to predict the density of stable islands as a function of the deposition rate and the diffusivity of an isolated adatom. Recent theoretical and experimental studies indicate that medium- and long-range interactions between adatoms may change the simple picture that nucleation theory provides, because the presence of these interactions invalidates some of its assumptions. In this work, we investigate the ramifications of medium-range, substrate-mediated interactions for aspects of island nucleation and growth. The interactions are quantified for Ag on a strained Ag (111) substrate using density-functional-theory calculations. We discuss our incorporation of these interactions into a kinetic Monte Carlo model to study thin-film epitaxy. The simulated thin-film growth is compared to predictions by standard nucleation theory. We discuss features of island nucleation and growth that are actuated by the presence of medium-range interactions. Received: 30 April 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002     

Towards controlled coupling between a high-Q whispering-gallery mode and a single nanoparticle

We discuss our recent experiments that aim at the realization of coupling between a nano-emitter that is placed at the extremity of a sharp glass-fiber tip and a high-Q whispering-gallery mode. We quantify the influence of the tip using different probes and modes of a microsphere with different quality factors and mode extensions. Our measurements show that a micron-sized tip results in a substantial perturbation of the modes. On the contrary, by using a tip of diameter about 100 nm it should be possible to couple a nanoparticle to the most-confined modes of a microsphere without spoiling quality factors even as high as 10⁸. Received: 10 August 2001 / Revised version: 17 October 2001 / Published online: 23 November 2001     

A phase field crystal study of heterogeneous nucleation – application of the string method

We use the simplified string method in order to examine two dimensional heterogeneous nucleation at a wall and on a substrate. The material is described by a phase field crystal model and the influence of the wall or substrate is included by an external potential. Tuning the external potential we show that we can control the contact angle in equilibrium and misfit to a substrate. The nucleation barrier is reduced by a wall, but cannot be explained by classical nucleation theory due to non-classical nucleation paths. For small misfits a substrate also decreases the nucleation barrier, while large misfits increases the nucleation barrier.     

Kinetic Monte Carlo simulations of electrodeposition: Crossover from continuous to instantaneous homogeneous nucleation within Avrami’s law

The influence of lateral adsorbate diffusion on the dynamics of the first-order phase transition in a two-dimensional Ising lattice gas with attractive nearest-neighbor interactions is investigated by means of kinetic Monte Carlo simulations. For example, electrochemical underpotential deposition proceeds by this mechanism. One major difference from adsorption in vacuum surface science is that under control of the electrode potential and in the absence of mass-transport limitations, local adsorption equilibrium is approximately established. We analyze our results using the theory of Kolmogorov, Johnson and Mehl, and Avrami (KJMA), which we extend to an exponentially decaying nucleation rate. Such a decay may occur due to a suppression of nucleation around existing clusters in the presence of lateral adsorbate diffusion. Correlation functions prove the existence of such exclusion zones. By comparison with microscopic results for the nucleation rate I and the interface velocity of the growing clusters v, we can show that the KJMA theory yields the correct order of magnitude for Iv². This is true even though the spatial correlations mediated by diffusion are neglected. The decaying nucleation rate causes a gradual crossover from continuous to instantaneous nucleation, which is complete when the decay of the nucleation rate is very fast on the time scale of the phase transformation. Hence, instantaneous nucleation can be homogeneous, producing negative minima in the two-point correlation functions. We also present in this paper an n-fold way Monte Carlo algorithm for a square lattice gas with adsorption/desorption and lateral diffusion.     

Growth of strain-induced self-assembled BaZrO3 nanodots from chemical solutions

A methodology of preparing artificially nanostructured oxide templates by means of chemical solution deposition is presented. Controlled generation of strain-induced self-assembled BaZrO₃ nanodots have been achieved using diluted metal-organic solutions. We show how nanodots’ size and density can be finely tuned through control of growth parameters as well as solution concentration. We show that lattice steps in vicinal substrates are preferential nucleation sites. The results prove that chemical solution deposition method is a promising technique for the nanostructuration of large-area oxide templates.     

Analytical model of dislocation nucleation on a near-surface void under tensile surface stress

We have analyzed in detail the mechanism leading to tip growth on a surface which operates via nucleation of dislocations on a near-surface void under tensile surface stress. We derived a simplified analytical model describing the relevant physical factors related to the observed linearity between the void radius and the maximum depth of the void for the growth to occur. The model is based on the direct numerical calculation of atomic level stresses in the simulated system. Based on the present model we can estimate this maximum depth for a void of a certain size under a given stress in the size range which is beyond the feasibility of the molecular dynamics simulation method.     

Nucleation barriers for the liquid-to-crystal transition in simple metals: Experiment vs. simulation

Crystal nucleation in the one-component metals Ni and Au is investigated using a combination of differential thermal analysis (DTA) experiments and Monte Carlo (MC) simulations. A novel experimental methodology allows to measure nucleation rates J over a range of 8 orders of magnitude. Evidence is given that these rates correspond to homogeneous nucleation. From the nucleation rates, free energy nucleation barriers ΔG ^? are extracted using an ansatz obtained in the framework of classical nucleation theory (CNT). The latter ansatz is rationalized by MC simulations that directly yield estimates for the temperature dependence of ΔG ^?. The values of ΔG ^?, as determined from the simulation, are in very good agreement with those extracted from the experiments. The simulations indicate that in the range where experiments are available the corrections to CNT are relatively small, thus justifying the application of CNT. We also discuss how the conditions for heterogeneous nucleation on a flat or structured wall can be obtained from computer simulations.