The effect of thermal treatment on the organization of copper and nickel nanoclusters synthesized from the gas phase

The condensation of 85000 Cu or Ni atoms from the high-temperature gas phase has been simulated by molecular dynamics with the tight binding potential. The efect of the subsequent thermal treatment on the shape and structure of synthesized particles was studied by simulating their gradual heating in a range of 100–1200 K. Some tendencies are revealed that are characteristic of the influence of heat treatment on the nanoparticles synthesized from the gas phase. It is concluded that short-term heating leads to significant ordering of the internal structure in 70% of agglomerated nanoparticles with the predominant formation of spherical shapes. In order to explain this result, the main mechanisms of cluster formation from the gas phase have been analyzed and it is found that the agglomeration temperature plays the main role in the formation of clusters with unified shape and structure. This opens the fundamental possibility of obtaining Cu and Ni nanoclusters with preset size, shape, and structure and, hence, predictable physical properties.     

Nanoparticle production by UV irradiation of combustion generated soot particles

Laser ablation of surfaces normally produce high temperature plasmas that are difficult to control. By irradiating small particles in the gas phase, we can better control the size and concentration of the resulting particles when different materials are photofragmented. Here, we irradiate soot with 193 nm light from an ArF excimer laser. Irradiating the original agglomerated particles at fluences ranging from 0.07 to 0.26 J/cm² with repetition rates of 20 and 100 Hz produces a large number of small, unagglomerated particles, and a smaller number of spherical agglomerated particles. Mean particle diameters from 20 to 50 nm are produced from soot originally having a mean electric mobility diameter of 265 nm. We use a non-dimensional parameter, called the photon–atom ratio (PAR), to aid in understanding the photofragmentation process. This parameter is the ratio of the number of photons striking the soot particles to the number of the carbon atoms contained in the soot particles, and is a better metric than the laser fluence for analyzing laser–particle interactions. These results suggest that UV photofragmentation can be effective in controlling particle size and morphology, and can be a useful diagnostic for studying elements of the laser ablation process.     

Local composition in Lennard-Jones systems of particles with flexible shape

A two-dimensional Lennard-Jones system of particles with flexible shape is studied by Monte Carlo simulations. Each particle involves an internal degree of freedom characterizing a gradual change in shape from circular to elliptical with maximum anisotropy. The condis crystal,? which is characterized by translational order and a mixture of particle shapes, is analysed in detail. The simulations show that in the condis phase the shape flexibility of the particles does not allow (i) stable interfaces formed by particles of both limiting intraparticle states and (ii) the formation of blocks of particles with similar shape.     

Magnetic behavior and physicochemical properties of Ni and NiO nano-particles

A series of nano-crystalline Ni/NiO particles was synthesized by a combustion route depending upon the glycine-nitrate process. The as prepared samples were characterized by X-ray diffraction (XRD), scanning electron micrograph (SEM), transmission electron micrograph (TEM), nitrogen adsorption isothems at 77 K and vibrating sample magnetometer (VSM) techniques.The XRD results revealed that the Ni powder crystallizes was formed with the cubic phase when the molar ratio of glycine to nitrate is 1.5. Above or below that molar ratio, NiO phase coexists as an impurity along with the Ni phase. The SEM and TEM measurements of the as synthesized powders showed that the particles are irregular in shapes and have porous morphology. Increasing the ratio between glycine and Ni-nitrate resulted in slightly agglomeration and grain growth of nano-particles with subsequent decrease in the value of surface area depending upon high combustion heat. The magnetization value of Ni measured at room temperature is very close to the value observed for commercial Ni powder.     

Shape of spectral lines emitted from a gas in the presence of a condensed phase

The shape of emission lines from a spatially inhomogeneous gas containing particles of a condensed phase is discussed. Monochromatic scattering from particles and the walls limiting the infinite slab was taken into account, as well as emission and absorption by atoms, particles and walls. The Sobolev probabilistic method was used to obtain an exact solution of the equation of transfer. The intensity of the radiation emitted from the slab is expressed in terms of the fundamental functions. The final expressions may be used for calculations of emission line shapes.     

Interpretation of photo-polarimetric observations of comet 17P/Holmes

We present multispectral photo-polarimetric observations of comet 17P/Holmes taken at three different dates. These observations show the evolution of the negative polarization branch (NPB) as a function of time and wavelength. We perform discrete-dipole approximation (DDA) simulations on agglomerated debris particles of various sizes and refractive indices. Our simulations show that the observations are consistent with the cloud being composed of agglomerated debris particles having refractive indices of approximately m=1.5-1.6+0.1i. Our results are also consistent with the particles obeying a power-law size distribution r^-a and having a lower particle-radius cut-off of approximately 0.6 μm, where the index a∼3.5 for the early observations and shrinks to a∼1.5 for the later observations. This is consistent with the smaller, more accelerated particles in the distribution being propelled out of the field of view.     

Collective effects by agglomerated debris particles in the backscatter

We present an analysis of backscattered light by agglomerated debris particles whose size is comparable with the wavelength. We consider agglomerates that consist of one or two large central particles and a few relatively small fragments surrounding the particles. We find that for the particles we studied, the attachment of small fragments onto the particles leads to a decrease of the negative polarization branch (NPB) at small phase angles in comparison with the branch produced by the isolated particles. For relatively large agglomerates (with size parameters x about 25) the internal scatter in the agglomerates may produce a secondary minimum of the NPB. In this case the second order of scatter between constituents of aggregates plays the dominant role.     

A novel approach towards the production of luminescent silicon nanoparticles: sputtering, gas aggregation and co-deposition with H2O

Silicon clusters were produced by sputtering of a p-doped Si target and aggregation of the Si atoms in an argon gas atmosphere. The clusters were deposited in ultra high vacuum onto either (i) carbon transmission electron microscope (TEM) grids or (ii) a liquid nitrogen cooled finger on which a thick layer of ice was co-deposited during the exposure to the cluster beam. The ice layer containing the clusters was melted to form a liquid sample which showed luminescence peaking at 421 nm when excited at 307.5 nm. The luminescence is attributed to electron-hole recombination in oxygen deficient defects in the Si–SiO₂ interface region. TEM images of the nanoparticles deposited on the carbon grids show spherical particles with diameters ranging from 4 to 50 nm, flake-like structures or nanotube-like shapes. Grids with higher deposited densities reveal clusters that are agglomerated into chains, TEM images of the dried liquid sample show a network of fibres indicating that growth into fibres is further promoted when the clusters gain mobility in the melted ice.     

Microstructure of the Ni binder phase in a TiC–Mo2C–Ni cermet

Cermets are wear resistant materials used in cutting tool applications. The materials are composed of hard phase grains surrounded by a tough binder phase. The mechanical properties are influenced by both phases and grain boundaries. In this work, the detailed microstructure of the Ni binder phase in a TiC–Mo₂C–Ni cermet has been studied using a combination of transmission electron microscopy techniques. A complex contrast was observed in the Ni binder when imaged in the transmission electron microscope. It was found to arise from a combination of dislocations and nanometer sized particles that were present in the Ni matrix. From electron diffraction the particles were identified as intermetallic Ni₃Ti (P6₃/mmc). This result was consistent with energy-dispersive microanalysis and thermodynamics. The orientation relationship between the hexagonal Ni₃Ti particles and the cubic Ni matrix was given by (0001)Ni₃Ti//(111)Ni and Ni₃Ti// Ni.     

Structural identification of metcars

The ground-state structure of the metcar Ti8C12 is investigated using first-principles computer simulations. Comparison with recent experimental data on the vibrational spectrum of gas phase Ti8C12 allows one to identify the geometrical structure of the clusters studied in the experiment. The present combination of predictive first-principles computer simulations and detailed experimental measurements of the vibrational spectra of clusters offers the first viable tool for structural identification of cluster shapes.     

Dissolution arrest and stability of particle-covered bubbles

Experiments show that bubbles covered with monodisperse polystyrene particles, with particle to bubble radius ratios of about 0.1, evolve to form faceted polyhedral shapes that are stable to dissolution in air-saturated water. We perform Surface Evolver simulations and find that the faceted particle-covered bubble represents a local minimum of energy. At the faceted state, the Laplace overpressure vanishes, which together with the positive slope of the bubble pressure-volume curve, ensures phase stability. The repulsive interactions between the particles cause a reduction of the curvature of the gas-liquid interface, which is the mechanism that arrests dissolution and stabilizes the bubbles.     

Cathodic needle growth from Mo(CO)6 vapors at higher electric fields

It is shown that metallic needle crystals grow on electron emitting areas of field emission cathodes working in Mo(CO)₆ vapor. The growth is driven by ions impinging from a field emission arc plasma, and the products are classified into two categories depending on the thermal energy supplied externally to the substrate: 1) Mo particles are agglomerated in dendritic shapes at 300-1300 K, and 2) whisker-like crystals with an unknown structure are obtained at 1300-1500 K. The high-temperature needles are capped with Taylor cones during the growth, and it is shown that they are a metastable phase of Mo.     

Synthesis and structural characterization of novel flower-like titanium dioxide nanostructures

Titanium dioxide (TiO₂-anatase phase) films, consisting of agglomerated flower-like nanoparticles, have been synthesized using an ultrasonic spray pyrolysis method in conjunction with titanium (IV) oxide acetylacetonate (TiO(acac)₂) and methanol at 550 °C. These films were subsequently thermally treated in air, at 950 °C for 6 h, and the flower-like particles were transformed into smooth surfaces mainly formed by the TiO₂ rutile phase. In this letter, we characterized these structures using scanning electron microscopy, atomic force micrcoscopy, and low-angle X-ray diffraction measurements. It is proposed that these novel flower-like nanostructures, exhibiting a large number of exposed edges, will be important in the development of efficient gas sensor devices.     

Phase transition to bundles of flexible supramolecular polymers

We report Monte Carlo simulations of the self-assembly of supramolecular polymers based on a model of patchy particles. We find a first-order phase transition, characterized by hysteresis and nucleation, toward a solid bundle of polymers, of length much greater than the average gas phase length. We argue that the bundling transition is the supramolecular equivalent of the sublimation transition, which results from a weak chain-chain interaction. We provide a qualitative equation of state that gives physical insight beyond the specific values of the parameters used in our simulations.     

Light scattering by large Saharan dust particles: Comparison of modeling and experimental data for two samples

Light scattering by large mineral-dust particles with small-scale surface roughness is investigated by comparing model simulations with laboratory-measured scattering matrices of two distinct dust samples collected from the Sahara desert. The samples have been chosen on the basis of their large effective radii, and the simulations are based on their measured size distributions. Size parameters larger than about 30 are modeled using a modified ray-optics model RODS (Ray optics with diffuse and specular interactions), while smaller particles are simulated with a T-matrix model. RODS allows us to mimic the surface roughness of large dust particles by covering the particle surface by a thin layer of external scatterers with specific single-scattering properties. The Gaussian-random-sphere geometry is used for the shapes of large dust particles. Small particles are modeled as an axial-ratio distribution of spheroids with smooth surfaces. One of the samples consists wholly of large particles and its scattering matrix can be reproduced very well by the RODS model, except for the phase function. The incorporation of wavelength-scale roughness is, however, necessary for good fits. The other sample, consisting of both small and large particles, proves more challenging to match with simulations. The analysis indicates, however, that the difficulties arise at least partially from the small-particle contribution, while RODS results are consistent with the measurements. Further, the results imply that the agreement with measurements would improve if roughness could also be accounted for in the small-particle simulations. Overall, the RODS method seems promising for modeling the optical properties of mineral-dust particles much larger than the wavelength.     

二维拉格朗日坐标系下气粒混合双向耦合对激波流场影响的计算

喷射颗粒与气体混合是内爆压缩领域的热点和难点. 针对喷射混合中的气粒双向耦合问题, 开展了理论建模、离散算法以及颗粒反馈对激波流场的影响研究. 建立了拉格朗日计算框架下的数学模型; 给出了耦合源项的离散算法; 开展了平面及汇聚构型条件下, 气粒双向耦合的数值模拟研究; 发现了颗粒反馈导致气体激波提速现象以及气区流场物理量分布形态的改变, 初步获得了量化分析结果. 本文建立的数学模型、计算方法和获得的新的物理认识, 为深入理解喷射混合现象、解决相关工程应用问题提供了重要理论支撑.     

Gamma prime and TCP phases and mechanical properties of thermally exposed nickel-base superalloy

The effect of long-term thermal exposure and casting superheat on microstructure, topologically close-packed (TCP) phases, γ?′ precipitation and mechanical properties of an experimental Ni-base superalloy were studied. The investigated alloys were produced by investment casting process under two levels of superheat. After solution heat treatment, at 1180°C for 2?h followed by air cooling; the two alloys under investigation were isothermally exposed at 845°C for 24, 200, 1000, and 1500?h. The long-term thermal exposure conditions have a significant impact on the precipitation and morphology of TCP and γ?′ phases. The σ phase precipitated as needle and platelet shapes, whereas the μ phase formed in plate and agglomerated shapes. The μ phase has high concentration of Cr, Mo, W, and Co, while the σ phase has high percentages of Ni and Ti. The μ phase was precipitated after thermal exposure of 200?h in the case of high superheat specimen and after 1000?h in low superheat specimen. The η phase found was also a thick plate-like shape in the microstructure of both alloys in the interdendritic zones. The optimum size and volume fraction of γ?′ precipitates were obtained after being thermally exposed for 200 and 1000?h for high and low superheat alloys, respectively. Consequently, the highest hardness level was achieved at the optimum conditions of γ?′ precipitates in high and low superheat alloys.     

Finite-size effects for phase segregation in a two-dimensional asymmetric exclusion model with two species

We investigate the stationary states of a two-dimensional lattice gas model with exclusion, in the presence of an external field. The lattice is populated by equal numbers of positively and negatively charged particles. An analytical mean-field approach and Monte Carlo simulations give strong evidence of the fact that at any finite density the only relevant stationary state of the system in the thermodynamic limit is inhomogeneous, consisting of a strip of particles transverse to the field. In the inhomogeneous phase, the density profiles and the current measured by Monte Carlo simulations are closely related to those found in mean field. The same is true for the finite-size behavior of the system.     

Ignition of single nickel-coated aluminum particles

A thin coating of nickel on the surface of aluminum particles can prevent their agglomeration and at the same time facilitate their ignition, thus increasing the efficiency of aluminized propellants. In this work, ignition of single nickel-coated aluminum particles is investigated using an electrodynamic levitation setup (heating by laser) and a tube reactor (heating by high-temperature gas). The levitation experiments are used for measurements of the ignition delay time at different Ni contents in the particles. The high-temperature gas experiments are used to measure the critical ignition temperature. It is reported that the Ni coating dramatically decreases both the ignition delay time of laser-heated Al particles and the critical ignition temperature of gas-heated Al particles. A heat balance analysis of the levitated particles shows that the lower ignition temperature of Ni-coated Al particles is the most probable reason for the observed reduction in the ignition delay time. Exothermic intermetallic reactions between liquid Al and solid Ni are considered as the main reason for the lowered ignition temperature of Ni-coated Al particles.