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991.
We report a fabrication route of silica nanoparticles with two, three or six patches with an easily tunable patch-to-particle size ratio. The synthetic pathway includes two main stages: the synthesis of silica/polystyrene multipod-like templates and the selective growth of their silica core through an iterative approach. Electron microscopy of the dimpled nanoparticles obtained after dissolution of the polystyrene nodules of the multipod-like nanoparticles provides evidence of the conformational growth of the silica core. Thanks to the presence of some polymer chains, which remained grafted at the bottom of the dimples after the dissolution of the PS nodules, the solvent-induced assembly of the patchy nanoparticles is performed. Chains, hexagonal suprastructures and cubic lattices are obtained from the assembly of two-, three- and six-patch silica nanoparticles, respectively. Our study can guide future work in both patchy nanoparticle synthesis and self-assembly. It also opens new routes towards the fabrication of specific classes of one-, two- and three-dimensional colloidal lattices, including complex tilings. 相似文献
992.
The process of amorphous silica clusters impact on a crystal silicon substrate is studied by molecular dynamics simulation,
focusing on the energy transfer between clusters and the substrate under different impact conditions such as cluster size,
impact velocity, and incidence angle. The impact process is divided into cluster deformation stage, cluster resilience stage,
and cluster rebound stage according to the courses of energy change during the impact process. The simulation elucidates that
the time of impact process of every cluster is only related to cluster size and is independent of impact velocity and incidence
angle. The translational energy loss of the cluster and the potential energy increment of the substrate during cluster deformation
stage, and the dissipation energy of system are independent of cluster size under the same impact energy and incidence angle.
And the translational energy loss of the cluster during cluster rebound stage changes from energy absorption to energy release
after the incidence angle becomes more than 60°. The rotational energy of the cluster may be omitted when the incidence angle
is less than 15°. The ratios of the rotational energy increment of the cluster, the kinetic energy increment, and the potential
energy increment of the substrate to the translational energy loss of the cluster are obviously influenced by impact conditions.
And the ratios of the increment of the other categories of energy to the translational energy loss of the cluster are not
sensitive to impact conditions. 相似文献
993.
R. V. Chamberlin G. H. Wolf 《The European Physical Journal B - Condensed Matter and Complex Systems》2009,67(4):495-499
The entropy per particle in most Monte-Carlo simulations is size dependent
due to correlated energy fluctuations. Guided by nanothermodynamics, we find
a constraint for the Ising model that enhances the fluctuations and lowers
the free energy, while making the entropy homogeneous, additive, and
extensive. Although the average interaction energy becomes size dependent,
the resulting distribution of energies provides a mechanism for the
heterogeneity found in the dynamics of many materials. 相似文献
994.
Soot aggregate formation and size distribution in a laminar ethylene/air coflow diffusion flame is modeled with a PAH-based soot model and an advanced sectional aerosol dynamics model. The mass range of solid soot phase is divided into 35 discrete sections and two variables are solved for in each section. The coagulation kernel of soot aggregates is calculated for the entire Knudsen number regime. Radiation from gaseous species and soot are calculated by a discrete-ordinate method with a statistical narrow-band correlated-k based band model. The discretized sectional soot equations are solved simultaneously to ensure convergence. Parallel computation with the domain decomposition method is used to save computational time. The flame temperature, soot volume fraction, primary particle size and number density are well reproduced. The number of primary particles per aggregate is overpredicted. This discrepancy is presumably associated with the unitary coagulation efficiency assumption in the current sectional model. Along the maximum soot volume fraction pathline, the number-based and mass-based aggregate size distribution functions are found to evolve from unimodal to bimodal and finally to unimodal again. The different shapes of these two aggregate size distribution functions indicate that the total number and mass of aggregates are dominated by aggregates of different sizes. The PAH-soot condensation efficiency γ is found to have a small effect on soot formation when γ is larger than 0.5. However, the soot level and primary particle number density are significantly overpredicted if the PAH-soot condensation process is neglected. Generally, larger γ predicts lower soot level and primary particle number density. Further study on soot aggregate coagulation efficiency should be pursued and more experimental data on soot aggregate structure and size distribution are needed for improving the current sectional soot model and for better understanding the complex soot aggregation phenomenon. 相似文献
995.
Carlos A. Echavarria JoAnn Slama Lighty Andrea D’Anna 《Proceedings of the Combustion Institute》2009,32(1):705-711
This study demonstrates the major differences in the evolution of the particle size distributions (PSDs), both measured and modeled, of soot in premixed benzene and ethylene flat flames. In the experiments, soot concentration and PSDs were measured by using a scanning mobility particle sizer (SMPS, over the size range of 3-80 nm). The model employed calculations of gas phase species coupled with a discrete sectional approach for the gas-to-particle conversion. The model includes reaction pathways leading to the formation of nano-sized particles and their coagulation to larger soot particles. The particle size distribution, both experimental and modeled, evolved from a single particle mode (the nucleation mode) to a bimodal size distribution. An important distinction between the results for the ethylene and benzene flames is the behavior of the nucleation mode which persists at all heights above the burner (HAB) for ethylene whereas it was greatly suppressed at greater HAB for the benzene flames. The explanation for the decreased nucleation mode at higher elevations in the benzene flame is that the aromatics are consumed in the oxidation zone of the flame. Fair predictions of particle-phase concentrations and particle sizes in the two flames were obtained with no adjustments to the kinetic scheme. In agreement with experimental data, the model predicts a higher formation of particulate in the benzene flame as compared with the ethylene flame. 相似文献
996.
采用Potts模型Monte Carlo方法研究了晶粒棱长、尺寸与拓扑学特征之间的统计关系.结果表明,晶粒棱长与晶粒面数之间呈线性统计关系,并且平均N面体晶粒模型和Poisson-Voronoi组织均支持该结论.不同时刻的晶粒长大仿真数据表明,在准稳态晶粒长大阶段晶粒棱长的分布具有自相似性.个体晶粒的平均棱长随晶粒面数(或晶粒尺寸)的增加而逐渐增大,这说明一些理论模型中采用的“不同面数的晶粒平均棱长均相等”的假设具有局限性.仿真数据和纯铁实验数据均表明,晶粒尺寸与晶粒面数之间的统计关系表现为一条单调递增的凸曲线.
关键词:
晶粒棱长
晶粒尺寸
拓扑学
Monte Carlo仿真 相似文献
997.
光散射法测量颗粒尺寸、浓度的实验研究 总被引:1,自引:0,他引:1
为了能够准确快速地求解出微米量级颗粒系的尺寸和浓度,设计了一套基于Fraunhofer衍射,以线阵CCD为接收器件的实验颗粒测量装置.采用Shifrin积分变换方法,分析了给定样品颗粒的粒径分布、峰值、平均值和体积浓度.实验结果表明,与传统的Swithenbank方法采用环形光电管阵列为探测器接收衍射光强来反演颗粒分布方法相比,该方法不需要知道颗粒粒径上下限,各粒径区间间隔等预知信息,而且对粒径、浓度的实验测量值与理论值相差较小,样品峰值粒径为9.849 8 μm,与给定峰值的相对误差为3.432%,具有较高的测试准确度和较好的测试效果. 相似文献
998.
999.
1000.
LIU Chao XIE Wen-Fang 《理论物理通讯》2009,51(2):353-357
In this paper we study a negatively charged exciton (NCE), which is trapped by a two-dimensional (2D) parabolic potential. By using matrix diagonalization techniques, the correlation energies of the low-lying states with L=0, 1, and 2 are calculated as a function of confinement strength. We find that the size effects of different states are different. This phenomenon can be explained as a hidden symmetry, which is originated purely from symmetry. Based on symmetry, the features of the low-lying states are discussed in the influence of the 2D parabolic potential well. It is found that the confinement may cause accidental degeneracies between levels with different low-excited states. It is shown that the effect of quantum confinement on the binding energy of the heavy hole is stronger than that of a light hole. 相似文献