Ti纳米粒子熔化与凝结的原子尺度模拟

本文采用基于嵌入原子势的分子动力学方法模拟研究了不同尺寸Ti纳米粒子在熔化与凝结过程中的原子堆积结构变化.温度变化过程中对Ti纳米粒子中原子平均能量、对分布函数、键对和比热容的计算结果表明,粒子尺寸和温度变化方式对粒子的结构转变具有重要影响.小尺寸Ti粒子更易于形成二十面体构型.随着Ti纳米粒子粒径的增大,室温下粒子趋于保持初始密排六方的堆积结构.升温过程中,大粒径的纳米粒子内出现HCP向BCC的部分结构转变,导致HCP和BCC结构共存现象.大粒径粒子的熔化与体相材料相似,具有一个熔化温度.熔融粒子降温时,纳米粒子内部原子发生熔融态→BCC→HCP堆积结构的转变,且凝结温度较熔化温度滞后.该原子尺度的模拟提供了可用经典理论估算Ti粒子熔化所需能量的临界尺寸.     

不同粒径CeO_2纳米粒子的控制合成

通过水热合成方法合成了粒径分布窄、大小不同的立方萤石结构的CeO_2纳米粒子。研究了沉淀剂的浓度和水热处理温度对合成的CeO_2纳米粒子的粒径分布的影响,合成产物的物相和粒径分别通过XRD、TEM表征,FTIR结果表明,二氧化铈的表面吸附的大量硫酸根可能是导致氧化铈纳米粒子聚集长大的根源。     

用小角X射线散射研究纳米粒子的粒度分布

采用小角X射线散射中的对数高斯分布函数的方法，确定了纳米粒子的粒度分布。通过理论分析、计算，对氧化锌纳粒子进行实验测试。结果表明，氧化锌纳米粒子的平均半径尺寸为3．34nm，分布的标准偏差为1．35。     

氧化铝、金和氧化锌构成的类“法国梧桐树”坚果球表面上氧化锌针的生长和特性（英文）

复杂的氧化锌复合材料在光电设备方面有着很大的潜在应用。报道一种特殊“果球”的模拟生长——由Al2O3,Au和ZnO制成的天然“法国梧桐悬铃坚果”。这种“法国梧桐悬铃坚果”表面有许多小的、溅射在Al2O3表面上的金纳米粒子层。通过电沉积技术合成的ZnO针型在金纳米粒子层上可以很好的生长。单色散针(或者六角形纳米柱)的获得有着有不同的分布密度。所制备的样品在扫描电子显微镜(SEM)下观看,像组合起来的“法国梧桐悬铃坚果”。还研究了6 000℃下样品的光致发光(PL)和其他特征。尖锐的束缚激子(BE)的和纵光学声子LO-phonon的光谱线意味着ZnO微纳结构有着高品质的光学特性。     

组织模型偏振后向散射差分光谱的测量

建立了一套用于测量生物组织模型偏振后向散射差分光谱的实验系统。在系统中,线偏振光入射到样品表面,检偏器和光谱仪配合记录后向散射光中的平行和垂直分量,随后计算出差分光谱。采用了平均直径分别为5.0μm、9.0μm的两种聚乙烯小球悬浮液进行实验,结果与蒙特卡罗模拟进行对照,验证了实验系统的正确性。初步研究了粒子尺寸分布变化对差分光谱的影响,结果表明,偏振散射差分光谱能敏感地反映粒子尺寸分布的变化,在大小粒子的混合液中,大粒子浓度一定程度的增加,光谱仍保留小粒子的振荡趋势,但差分光强减小。该方法对于早期癌症检测具有潜在应用意义。     

纳米铂颗粒的控制生长

利用吸氢再还原法,进行逐步还原反应,合成了一系列大小的铂纳米颗粒;透射电镜和X光衍射分析表征的结果表明,铂颗粒是逐步长大的,经过32次生长,铂颗粒的平均粒径从1.8nm增加到14.1nm,平均增加步长约为0.4nm,且粒子均具较好的单分散性.     

氧化铝、金和氧化锌构成的类“法国梧桐树”坚果球表面上氧化锌针的生长和特性

复杂的氧化锌复合材料在光电设备方面有着很大的潜在应用。报道一种特殊 “果球”的模拟生长——由Al₂O₃,Au和ZnO制成的天然 “法国梧桐悬铃坚果”。这种“法国梧桐悬铃坚果”表面有许多小的、溅射在Al₂O₃表面上的金纳米粒子层。通过电沉积技术合成的ZnO针型在金纳米粒子层上可以很好的生长。单色散针(或者六角形纳米柱)的获得有着有不同的分布密度。所制备的样品在扫描电子显微镜(SEM)下观看,像组合起来的“法国梧桐悬铃坚果”。还研究了6 000 ℃下样品的光致发光(PL)和其他特征。尖锐的束缚激子(BE)的和纵光学声子LO-phonon 的光谱线意味着ZnO微纳结构有着高品质的光学特性。     

高速粒子场同轴Fraunhofer全息数据处理系统研究

介绍了用同轴Fraunhofer全息测量强动载下材料表面微喷射粒子场的数据处理方法.在全息像重建过程中，将再现的三维粒子场由计算机控制分成许多小薄层采集.在数据处理过程中根据图像中粒子边缘，决定在整幅图或局部采用边缘检测的方法提取大粒子，根据图像的灰度分布将图像分成很多小区域，在每个小区域采用不同的阈值分割图像.在处理结果的校正中根据粒子场的特点，去除过大、过小和重复统计粒子.采用该方法得到了粒子的空间分布图像及粒子大小的统计结果.     

聚乙烯亚胺对氧化锌纳米阵列形貌的影响

采用化学沉淀法,以硝酸锌和六次亚甲基四胺的水溶液为生长溶液,在涂覆氧化锌晶种层的玻璃衬底上制备了定向生长的氧化锌纳米棒阵列,并研究了添加剂聚乙烯亚胺的浓度对氧化锌纳米棒形貌和结构的影响。X射线衍射和场发射扫描电镜的结果表明,合成的氧化锌纳米棒阵列较为均匀致密,具有六方纤锌矿结构,且有沿(002)晶面择优生长的特性;随着聚乙烯亚胺浓度的增加,氧化锌纳米棒的直径减小,直径分布趋于均匀,且氧化锌纳米棒的形貌也从锥状转变为柱状结构;另外,聚乙烯亚胺的加入对氧化锌的生长速度具有抑制作用,当聚乙烯亚胺的浓度增加至0.012 mol·L-1时,无氧化锌阵列生长。对氧化锌纳米棒阵列进行了拉曼光谱表征,结果表明,随着溶液中聚乙烯亚胺浓度的增加,氧化锌纳米棒的氧空位缺陷减少。最后,对聚乙烯亚胺浓度对氧化锌纳米阵列影响的机理进行了探讨。     

晶种分布对氧化锌纳米棒生长的影响

采用水热法在氧化锌晶种修饰的衬底上生长氧化锌纳米棒,利用扫描电子显微镜(SEM)和X射线衍射仪(XRD)系统地分析了晶种分布状态对氧化锌纳米棒排列的影响.SEM结果表明随着晶种密度的增大,氧化锌纳米棒从排列无序向具有高度取向的紧密有序纳米棒阵列转变,反映纳米棒端面垂直生长优化;XRD表征显示,随着晶种密度的增大,(002)峰增强,(110)峰减弱,即端面衍射增强,侧面衍射减弱,与SEM结果相对应.同时在生长的氧化锌纳米棒中存在链状和花状的簇结构,分析表明这些簇结构与晶种在衬底上的特殊分布状态有关.     

Flame structure and burning velocity of flames propagating in binary iron aerosols

A numerical study was performed for binary dispersed iron aerosols in air using different particle sizes with constant average particle size. The effects of particle size and density of the two aerosols on flame structure and speed are systematically investigated. Varying the amount of small and big particles results in separated and overlapped flame fronts. For higher values of particle size ratio (ratio between the size of big and small particles) and density of small particles, flame fronts are observed to overlap. The flame speed of the binary mixture is compared with the mono-dispersed case and the difference is analyzed for different particle size ratios. The addition of a small fraction of small particles in the binary mixture is found to result in a substantial increase in the flame speed if the particle size ratio is large. Detailed analyses on the variation of the total amount of fuel shows the particle size ratio determines the equivalence ratio at which the maximum flame speed occurs. The maximum flame speed as a function of equivalence ratio was observed to move from the lean to the rich side for particle size ratio sufficiently large enough.     

基于超声衰减谱的纳米颗粒粒度分布测量研究

利用变声程方式测量纳米颗粒悬浮液的超声衰减谱,以McClements模型和BLBL模型为理论基础,采用最优正则化(ORT)算法,反演得到纳米颗粒的粒度分布。运用该方法,对体积浓度1%的纳米二氧化钛-水悬浊液进行测量,与透射电镜(TEM)图像以及离心沉降纳米粒度分析仪检测结果对比,测量结果吻合较好,表明了利用超声衰减谱方法测量纳米颗粒粒度分布的可行性与可靠性。      

Experimental Study on Particle Size Distribution and Concentration Using Transmission Fluctuation Spectrometry with the Autocorrelation Technique

Based on the statistical characteristics of the transmission fluctuations in the particle suspension, transmission fluctuation spectrometry with autocorrelation (TFS‐AC) is described theoretically, with the assumptions of geometric ray propagation and completely absorbent particles in the suspension. The experiments presented here are realized in a focused Gaussian beam with the TFS‐AC technique. The acquisition of transmission fluctuation signals is achieved by using a high‐resolution digital oscilloscope. The transition function of TFS‐AC is obtained by varying the autocorrelation time. With a modified iterative Chahine inversion algorithm, solving a linear equation retrieves information on the particle size distribution and particle concentration. Some experimental results on spherical and non‐spherical particles are presented and discussed. The experiments cover a particle size range from 1μm to 1000 μm and a particle concentration of up to 12 %.     

Characterization of Sub‐Micron Perovskite Suspensions Formed Through Cavitation Processing

The size distribution within and electrokinetic properties of aqueous perovskite (LaCoO₃) suspensions, have been characterized as a function of processing conditions. Submicron–sized perovskite particles have been obtained using a cavitation technique in which the suspension is passed through a series of small orifices under extreme driving pressure drops. When no additives were used, the zeta potential of the particles was found to be positive over the entire pH range studied. Use of an acrylic copolymer surfactant with multiple negatively charged sites during the cavitation processing was found to improve dispersion stability. The observed variations in zeta potential and particle size for the suspensions are explained in terms of electrostatic interactions between particles, the tendency for the surfactant to adsorb onto the particles, and the degree of steric stabilization provided by the surfactant.     

The Effect of Boundary Conditions on Gas-phase Synthesised Silver Nanoparticles

We have prepared spherical non-agglomerated silver nanoparticles by an evaporation–condensation–dilution/cooling technique. Silver was evaporated from a crucible in a tubular flow reactor. A porous tube diluter was used to quench the carrier gas at the outlet of the reactor to enhance the formation of small particles and to suppress agglomeration and other particle growth mechanisms. The number size distribution of the prepared particles was measured with a differential mobility analyser–condensation nucleus counter combination and the size and the shape of the particles were analysed with transmission electron microscope. The system was modelled using a sectional aerosol dynamics computer code to estimate the importance of different aerosol processes. In all conditions the particles obtained were non-agglomerated and spherical. The mean particle diameter varied from 4 to 10-nm depending on boundary conditions. From the modelling studies it can be concluded that the nucleation rate is the most important parameter controlling the final particle size.     

A study on measuring distribution of nanoparticle size based on ultrasonic attenuation spectrum

Through varying the ultrasonic path length,the ultrasonic attenuation spectrum of the nanometer particle suspensions is measured.Based on the McClements and BLBL model, the Optimum Regularization Technique is employed to inverse the distribution of particle size for nanometer particles.Experiments are carried out to measure the distribution of particle size of aqueous nanometer titanium dioxide suspension with volume fraction of 1%.The ultrasonic measurement results show good consistence with those from TEM(Transmission Electron Microscope) and centrifugal sedimentation particle size analyzers,which indicate that measuring distribution of the particle size of nanometer particles with the ultrasonic attenuation spectrum is feasible and reliable.     

On aggregate structures in a rod-like haematite particle suspension by means of Brownian dynamics simulations

We have investigated aggregation phenomena in a suspension composed of rod-like haematite particles by means of Brownian dynamics simulations. The magnetic moment of the haematite particles lies normal to the particle axis direction and therefore the present Brownian dynamics method takes into account the spin rotational Brownian motion about the particle axis. We have investigated the influence of the magnetic particle–field and particle–particle interactions, the shear rate and the volumetric fraction of particles on the particle aggregation phenomena. Snapshots of aggregate structures are used for a qualitative discussion and the cluster size distribution, radial distribution function and the orientational correlation functions of the direction of particle axis and magnetic moment are the focus for a quantitative discussion. The significant formation of raft-like clusters is found to occur at a magnetic particle–particle interaction strength much larger than that required for a magnetic spherical particle suspension. This is because the rotational Brownian motion has a significant influence on the formation of clusters in a suspension of rod-like particles with a large aspect ratio. An applied magnetic field enhances the formation of raft-like clusters. A shear flow does not have a significant influence on the internal structure of the clusters, but influences the cluster size distribution of the raft-like clusters.     

Characterization of TiO2 Smoke Prepared Using Gas‐Phase Hydrolysis of TiCl4

The formation of submicron TiO₂ smoke (a gas‐phase suspension) from titanium tetrachloride in a low‐pressure hydrolysis reaction in a simple reactor configuration has been studied. Particle size distribution, particle morphology and degree of crystallinity have been characterized as a function of reaction conditions. Highly crystalline anatase TiO₂ particles with narrow size distribution and smaller particle size were formed at high reactor temperature, while larger, amorphous particles were found at lower reactor temperatures. These results are consistent with literature studies. At 817 °C, small (450 nm), spherical, unagglomerated particles could be produced. A gas‐phase dispersion of these particles is intended for use as seeds in subsequent kinetic studies of titanium dioxide formation reactions involving a rapid compression methodology.     

Characterization of suspensions of particles in water by an ultrasonic resonant cell

This paper presents a resonant technique to accurately measure phase-velocity and attenuation of longitudinal acoustic waves in suspensions of solid particles in water. The technique is based on exciting thickness resonances of a layer of fluid and analyzing its spectrum. To this end, a resonant cell to contain the fluid is described and used. Two different type of water suspensions are studied: titanium dioxide and alumina particles; particle volume fraction is in the range 0–0.18. Simultaneous determination of particle size distribution in the suspension by an optical method are also carried out. Finally, the experimental results are compared with theoretical predictions obtained from three different approaches.     

Calculating the soot particle size distribution function in turbulent diffusion flames using a sectional method

Soot formation in a turbulent jet diffusion flame is modeled using an unsteady flamelet approach in post-process. In the present work, we apply a detailed kinetic soot model with a sectional method, and study the evolution of the particle size distribution. Detailed information on the evolution of the soot particle size distribution function is acquired. It is found that the particle size distribution function is bimodal throughout the flame. The transition from the small to large particle size distributions is strongly influenced by surface growth and oxidation reactions. We find that large particles are most likely to be emitted from the flame.