Numerical analysis of partially molten splat during thermal spray process using the finite element method

A finite element method is used to simulate the deposition of the thermal spray coating process. A set of governing equations is solving by a volume of fluid method. For the solidification phenomenon, we use the specific heat method (SHM). We begin by comparing the present model with experimental and numerical model available in the literature. In this study, completely molten or semi-molten aluminum particle impacts a H13 tool steel substrate is considered. Next we investigate the effect of inclination of impact of a partially molten particle on flat substrate. It was found that the melting state of the particle has great effects on the morphologies of the splat.     

Titanium as an endogenous grain-refining nucleus

Several studies have confirmed the applicability of the inverse growth restriction theory for predicting grain size in titanium alloy systems. However, until now, no work has identified nuclei particles that could be used to refine the β-grain size of titanium alloys during solidification. This work investigated whether titanium powder can be used to nucleate β-grains during solidification. A novel technique was used to introduce titanium powder to a series of titanium alloys, which results in significant grain refinement with an order of magnitude increase in grain density. Electron back-scattered diffraction (EBSD) was used to prove that titanium substrates can epitaxially nucleate titanium during solidification, and although a number of other potential mechanisms were investigated, it was concluded that the titanium particles heterogeneously nucleate β-grains.     

Numerical and experimental investigations of splat geometric characteristics during oblique impact of plasma spraying

Splats are obtained on the substrates inclined at different angles (0°, 20°, 40° and 60°) by plasma spraying process and characterized by SEM and WYKO^® optical surface profiler. Numerical model is developed using CFD software FLOW-3D^® to simulate the process of droplet impact, spreading and solidification onto the substrates. Splat characteristics such as spread factor, aspect ratio and fractional factor are defined and compared between simulation and experiment. Fair agreements are obtained. In addition, the impacting behavior including spreading and solidification are analyzed in details from the simulation results. The rates of reduction in droplet kinetic energy during impact, spreading and solidification are also compared between different inclination angles.     

粉末材料堆积的物理模型与仿真系统

研究了粉末材料堆积过程仿真的物理模型和系统,并探讨了适合多种不同粒径颗粒混合堆积过程仿真的高性能计算方法.在该仿真系统中,考虑了重力、接触力、阻尼力、摩擦力和范德瓦耳斯力等多种作用力的影响,集成了多种接触力模型和阻尼模型,使其适用于三维大规模粉末材料堆积过程的计算机仿真.利用该系统对粉末材料领域中的两个典型应用进行了模拟研究.模拟了两种相同密度不同粒径颗粒（粒径比为10）的混合堆积过程.当小颗粒数为大颗粒数的300倍时,得到最大的堆积密度（体积分数）为0.82.另外,还模拟了两种不同密度相同粒径颗粒的混合堆积过程.当堆积结束时,出现了明显的分离（segregation）现象和团聚现象.所研究的物理模型和仿真系统既可用于粉末材料堆积过程研究,亦可用于普通的球形物体堆积过程的模拟研究. 关键词： 粉末堆积 物理模型 仿真系统 离散元法     

Correlation mechanism between force chains and friction mechanism during powder compaction

The relation between friction mechanism and force chains characteristics has not yet been fully studied in the powder metallurgy research area.In this work,a uniaxial compression discrete element model is established based on the compaction process of ferrous powder.Furthermore,the correlation mechanism between force chains and the friction mechanism during powder compaction is investigated.The simulation results reveal a strong correlation between the variation of the friction coefficient and the evolution of force chains.During the powder compaction,the friction coefficient would eventually tend to be stable,a feature which is also closely related to the slip ratio between particles.The side wall friction and the friction between particles would have an important effect on the direction of force chain growth in about one-third of the area near the side wall.The research results provide theoretical guidance for improving the densification process of the powder according to the force chain and friction.     

热镀铜层冷凝过程的分子动力学模拟

采用常温、常压分子动力学模拟方法和FS(Finnis Sinclair)势 ,研究了在周期性边界条件下由 5 0 0个原子构成的液态Cu模型系统的凝固过程 ,考察了不同降温速率下Cu的凝固行为 ,得到了不同温度、不同冷却速率下Cu的双体分布函数 ;采用HA键型指数法统计了各种小原子团在不同温度下所占比例 ,采用键取向序分析了体系降温全过程的局域取向对称性 ,得到原子体系微观结构组态变化的重要信息 ;最后 ,利用能量分析的方法对体系微观结构的变化进行了说明 ,给出了液态Cu冷凝过程中微观结构转变的重要信息 .     

Al-Mn-Ce quasicrystalline composites: Phase formation and mechanical properties

Aluminium-based composites with quasicrystalline particles as reinforcements were synthesized via the powder metallurgy processing route. In order to obtain bulk samples with a nanoscale microstructure most equivalent to that resulting from rapid solidification, powders of Al-Mn-Ce alloys were prepared by pulverization of melt-spun ribbons using a planetary ball mill. Significant differences in the phase formation upon quenching, composite microstructure and thermal stability of the microstructure were found for different alloy compositions. Severe grain growth during the subsequent consolidation by hot extrusion caused the formation of a micrometre-scale composite instead of the nanoscale phase mixture initially existing after rapid solidification. After hot extrusion, the specimens were deformed by compression at a constant compression rate at room temperature. With an ultimate strength of up to 975 MPa and a ductility of more than 4% the material yields excellent properties compared with conventionally produced aluminium-based alloys.     

Multi-phase-field simulation of austenite peritectic solidification based on a ferrite grain

A multi-phase-field model is implemented to investigate the peritectic solidification of Fe-C alloy. The nucleation mode of austenite is based on the local driving force, and two different thicknesses of the primary austenite on the surface of the ferrite equiaxed crystal grain are used as the initial conditions. The simulation shows the multiple interactions of ferrite, austenite, and liquid phases, and the effects of carbon diffusion, which presents the non-equilibrium dynamic process during Fe-C peritectic solidification at the mesoscopic scale. This work not only reveals the influence of the austenite nucleation position, but also clarifies the formation mechanism of liquid phase channels and molten pools. Therefore, the present study contributes to the understanding of the micro-morphology and micro-segregation evolution mechanisms of Fe-C alloy during peritectic solidification.     

High strain rate deformation microstructures of stainless steel 316L by cold spraying and explosive powder compaction

Cold spraying is a new coating technique in which dense, tightly bonded coatings form only due to the high kinetic energy of impinging particles of the spray powder. These particles are still in the solid state during impact. Explosive powder compaction is a technique where powder is consolidated by a shock wave. In the shock front the powder is deformed under high strain rates, which under suitable conditions results in high-strength bonding of the particles. Thus, the microstructural features obtained by both techniques should be similar. This study correlates the microstructure of cold-sprayed 316L austenitic steel coatings in comparison to the microstructure of 316L samples obtained by explosive compaction. The results provide insight into the prevailing local deformation mechanisms, as well as into the physical background of observed phase transformations. PACS 81.15.Rs; 61.72.Ff; 62.50.+p; 64.60.My; 64.70.Kb     

Influences of different powders on the characteristics of particle charging and deposition in powder coating processes

This experimental study investigated the influences of two different powder systems (coarse and ultrafine) on particle charging and deposition characteristics during electrostatic powder coating processes. Results disclosed that, despite their differences in particle sizes, the two powders behave similarly in deposition process, commonly resulting in a cone-shaped deposited pattern in the inner portion of the substrate and an increase of deposited particles in the fringe region. However, their different properties lead to the discrepancies in their deposition efficiencies, which account for a higher efficiency with the coarse powder. The study further revealed that the coarse powder is superior to the ultrafine powder in charging in-flight particles, which directly contributes to its higher deposition efficiencies. Furthermore, it was disclosed that the two powders exhibit distinct characteristics in charging deposited particles. Compared to the coarse powder, the ultrafine powder is more uniform in charging deposited particles, mainly owing to its greater particle number and higher specific surface area but less mass. In particular, the charging efficiency of overall deposited particles decreases for the ultrafine powder but increases for the coarse powder with increased charging voltage, closely related to their particle properties. However, both powders decrease in charging efficiency of deposited particles with extended spraying duration due to back corona intensifying with spraying.     

The Nature of Anomalous Particles (Granules) in Rapidly Quenched PREP Powders: I. A Multiscale Study of the Heating Zone of the Rotating Electrode Used to Obtain the Rapidly Quenched PREP Ni-Based Superalloy Powder

The uniformity of composition of rapidly quenched PREP particles of the powder of high temperature Ni-based superalloys and stainless steels is characterized by an important feature—the occurrence of anomalous particles (granules) with a significantly different content, mainly of microalloying interstitial elements, carbon and boron, as well as active carbide- and boride-forming alloying elements. A detailed multi-scale experimental study of the heating zone of the crater of the Ni-based superalloy electrode after its use to obtain rapidly quenched PREP powder was carried out in order to find the nature and mechanisms of the formation of anomalous granules. Direct nuclear physics methods of activation autoradiography on carbon, track autoradiography on boron, metallography, SEM, EDX, OIM were used. In the electrode crater, the heat-affected zone (HAZ) and the partially melted zone (PMZ) were detected. Intense migration of boron to the electrode surface due to the formation of thermal macrocracks was also revealed. The behavior of carbon is determined by the formation of a thin layer of melt on the surface of the crater. The features of the evolution of the terminal solidification region TSR and incipiently melted regions IMR, the main type of heterogeneity of the composition of the dendritic structure of Ni-based superalloys and stainless steels, are revealed. The interrelation of the evolution of these areas is established, which is a consequence of the thermodynamic principle of the reversibility of the processes of solidification and melting, respectively, in the smelting of an ingot electrode and in the process of subsequent atomization. The analysis of the influence of the behavior of boron, carbon, and the characteristics of the crater structure on the nature and mechanism of the formation of anomalous granules using the PREP method for producing rapidly quenched powder of the Ni-based superalloy is performed.

     

压强对液态InGaAs快速凝固过程中微观结构变化的影响

采用分子动力学方法模拟不同压强下液态InGaAs的快速凝固过程,并采用双体分布函数、键角分布函数、配位数统计以及可视化等方法,从微观结构的不同层面分析了压强对凝固过程微观结构的影响机制。结果表明：对于InGaAs体系,压强对最近邻和次近邻的原子排布都有影响,但对次近邻原子排列的影响更为明显,通过次近邻原子键角的调整,使得原子排列更加紧密,体系的短程有序度增强。在原子的配位数结构上,随着压强的增加,部分三配位向四配位发生转变,从而使整个体系达到致密的结构。     

压强对液态InGaAs快速凝固过程中微观结构变化的影响

采用分子动力学方法模拟不同压强下液态InGaAs的快速凝固过程,并采用径向分布函数、键角分布函数、配位数统计以及可视化等方法,从微观结构的不同层面分析了压强对凝固过程微观结构的影响机制.结果表明:对于InGaAs体系,压强对最近邻和次近邻的原子排布都有影响,但对次近邻原子排列的影响更为明显,通过次近邻原子键角的调整,使得原子排列更加紧密,体系的短程有序度增强.在原子的配位数结构上,随着压强的增加,部分三配位向四配位发生转变,从而使整个体系达到致密的结构.     

Beyond finite-size scaling in solidification simulations

Although computer simulation has played a central role in the study of nucleation and growth since the earliest molecular dynamics simulations almost 50 years ago, confusion surrounding the effect of finite size on such simulations has limited their applicability. Modeling solidification in molten tantalum on the Blue Gene/L computer, we report here on the first atomistic simulation of solidification that verifies independence from finite-size effects during the entire nucleation and growth process, up to the onset of coarsening. We show that finite-size scaling theory explains the observed maximal grain sizes for systems up to about 8 000 000 atoms. For larger simulations, a crossover from finite-size scaling to more physical size-independent behavior is observed.     

Phase——field model of isothermal solidification withmultiple grains growth

This paper develops a new phase--field model for equiaxed dendrite growth of multiple grains in multicomponent alloys based on the Ginzberg--Landau theory and phase--field model of a single grain. Taking Al--Cu and Al--Cu--Mg alloys for example, it couples the concentration field and simulates the dendrite growth process of multiple grains during isothermal solidification. The result of the simulation shows dendrite competitive growth of multiple grains, and is reapplied to the process of dendrite growth in practical solidification.     

Rapid treatment of CIGS particles by intense pulsed light

Intense pulsed light (IPL) technique has been proposed to make large grains Cu(In_0.7Ga_0.3)Se₂ (CIGS) film using CIGS particles. The proposed process is non-vacuum based and performed at room temperature without selenization treatment. Melting and recrystallization of CIGS particles to larger grains without structural deformation and phase transformation are proved with adequate characterization evidences. X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and energy dispersion analysis (EDS) were used to characterize the prepared films. Melting of the CIGS particles and recrystallization to larger grains by light energy in 20 ms short reaction time could be the reason for no structural deformation and secondary phase generation during the process. The CIGS film prepared from its constituent nanoparticles by IPL treatment has great potential for use as absorber layer for solar cell application and is expected to have large impact on cell fabrication process in terms of cost reduction and simplified processing.     

Mechanically Strain-Induced Modification of Selenium Powders in the Amorphization Process

For the fabrication of particles designed in the nanoscale structure, or the nanostructural modification of particles using mechanical grinding process, selenium powders ground by a planetary ball mill at various rotational speeds have been investigated. Structural analyses, such as particle size distributions, crystallite sizes, lattice strains and nearest neighbour distances were performed using X-ray diffraction, scanning electron microscopy and dynamical light scattering.By grinding powder particles became spherical composites consisting of nanocrystalline and amorphous phase, and had a distribution with the average size of 2.7 m. Integral intensities of diffraction peaks of annealed crystal selenium decreased with increasing grinding time, and these peaks broadened due to lattice strains and reducing crystallite size during the grinding. The ground powder at 200 rpm did not have the lattice strain and showed amorphization for the present grinding periods. It indicates that the amorphization of Se by grinding accompanies the lattice strain, and the lattice strain arises from a larger energy concerning intermolecular interaction. In this process, the impact energy is spent on thermal and structural changes according to energy accumulation in macroscopic (the particle size distribution) and microscopic (the crystallite size and the lattice strain) range.     

二元合金多晶粒的枝晶生长的等温相场模型

基于Ginzburg-Landau理论和单晶粒的枝晶生长模型,发展了一个单相场控制的多个晶粒的枝晶生长模型. 采用相场和溶质场耦合的方法,以Al-2%Cu合金为例模拟了二元合金等温凝固过程中多个晶粒的生长过程. 结果表明,这个模型的计算结果展现了多个晶粒枝晶的竞争生长,能较真实的再现凝固过程中的枝晶的生长过程. 关键词： 相场法 多晶粒 等温凝固 二元合金     

二元合金多晶粒的枝晶生长的等温相场模型

基于Ginzburg-Landau理论和单晶粒的枝晶生长模型，发展了一个单相场控制的多个晶粒的枝晶生长模型. 采用相场和溶质场耦合的方法，以Al-2%Cu合金为例模拟了二元合金等温凝固过程中多个晶粒的生长过程. 结果表明，这个模型的计算结果展现了多个晶粒枝晶的竞争生长，能较真实的再现凝固过程中的枝晶的生长过程.     

Numerical simulation of deformation behavior of Al particles impacting on Al substrate and effect of surface oxide films on interfacial bonding in cold spraying

In this study, a comprehensive examination of the deformation behavior of Al particles impacting on Al substrate was conducted by using the Arbitrary Lagrangian Eulerian (ALE) method to clarify the deposition characteristics of Al powder and the effect of surface oxide films in cold spraying. It was found that the deformation behavior of Al particles is different from that of Cu particles under the same impact conditions owing to its lower density and thus less kinetic energy upon impact. The results indicated that a higher velocity was required for Al particles to reach the same compression ratio as that of Cu particles. On the other hand, the numerical results showed that the oxide films at particle surfaces influenced the deformation and bonding condition between the particle and substrate. The inclusions of the crushed oxide films at the interfaces between the depostied particles inhibit the deformation.