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A new model to describe dopant diffusion and recrystallisation in polycrystalline silicon during thermal treatment is presented. The full 3D microstructure of the material is considered and a local homogenisation approximation introduced. A parallel diffusion model for diffusion in grain boundaries and grain interior with grain growth and segregation is developed within this approximation. The model is solved in a 2D vertical section using a finite element discretisation. An example of the application of this model to a one micron bipolar transistor is given.

This paper presents a unified framework to model the sintering process of fine powders. The framework is based on classical virtual power principle and its corresponding variational principle. Firstly, the classical models of solid state, viscous and liquid phase sintering are reproduced assuming single matter re‐distribution mechanism and using the virtual power principle as the starting point. Then we demonstrate how to obtain the governing equations for microstructural evolution using the variational principle. These provide a common thread through the existing sintering models. Finally a numerical solution scheme is briefly outlined for computer simulation of microstructural evolution using the variational principle as the starting point. The computer simulation can follow the entire sintering process from powder compact to fully dense solid and deal with fully couple multi‐physics processes involving all the possible underlying matter re‐distribution mechanisms. Several examples are provided to demonstrate the deep insights that can be gained into the sintering process by using the numerical tool.

A simple economic analysis has revealed that in order for wind energy to be a viable alternative, wind-turbines (convertors of wind energy into electrical energy) must be able to operate for at least 20 years, with only regular maintenance. However, wind-turbines built nowadays do not generally possess this level of reliability and durability. Specifically, due to the malfunction and failure of drive-trains/gear-boxes, many wind-turbines require major repairs after only three to five years in service. The paper aims to discuss these issues.

The subject of the present work is the so-called white etch cracking, one of the key processes responsible for the premature failure of gear-box roller-bearings. To address this problem, a multi-physics computational methodology is developed and used to analyze the problem of wind-turbine gear-box roller-bearing premature-failure. The main components of the proposed methodology include the analyses of: first, hydrogen dissolution and the accompanying grain-boundary embrittlement phenomena; second, hydrogen diffusion from the crack-wake into the adjacent unfractured material; third, the inter-granular fracture processes; and fourth, the kinematic and structural response of the bearing under service-loading conditions.

The results obtained clearly revealed the operation of the white-etch cracking phenomenon in wind-turbine gear-box roller-bearings and its dependence on the attendant loading and environmental conditions.

The present work attempts to make a contribution to the resolution of an important problem related to premature-failure and inferior reliability of wind-turbine gearboxes.

The microstructure and properties of Zn-Sn coating on sintered Nd-Fe-B magnets were investigated by the grain boundary diffusion process, to improve the corrosion resistance of magnet surface and explore the feasibility of realizing the lower-temperature grain boundary diffusion.

The Zn-Sn coating was deposited on sintered Nd-Fe-B magnets by magnetron sputtering, and then the Zn-Sn coated magnets were put into the vacuum tube furnace for grain boundary diffusion process. The morphology and structure of Zn-Sn coating as well as its mechanical properties and corrosion resistance were investigated.

Results showed that the particle size of vacuum diffusion-treated Zn-Sn coating increased and the particle agglomeration was weakened with increasing diffusion temperature, and the non-vacuum diffusion-treated Zn-Sn coating was oxidized to generate SnO₂ and ZnO compounds. The binding force of coating first increased and then decreased with increasing diffusion temperature, and the maximum binding force was obtained at 540 °C. The binding force and corrosion resistance of non-vacuum diffusion-treated Zn-Sn coating were higher than the vacuum diffusion-treated Zn-Sn coating at the same diffusion temperature.

The Zn-Sn coating after diffusion treatment can provide complete protection, and the coating elements diffusion can be carried out at the same temperature as the secondary aging of sintered Nd-Fe-B magnets. Simultaneously, further diffusion process optimization needs to be completed because the diffusion depth is very low and only about 10 µm, which does not meet the requirements of traditional grain boundary diffusion method.

Some functional properties of engineering materials, i.e. physical, mechanical and thermal ones, depend directly on the microstructure, which is a result of processes occurring in the material during the forming and thermomechanical processing. The proper microstructure can be obtained in many cases by the phase transformation. This phenomenon is one of the most important processes during hot forming and heat treatment. The purpose of this paper is to develop a new comprehensive hybrid model for modeling diffusion phase transformations. A problem has been divided into several tasks and is carried out on several stages. The purpose of this stage is a development of the structure of a hybrid model, development of an algorithm used in the diffusion module and one-dimensional heat flow and diffusion modeling. Generally, the processes of phase transformations are studied well enough but there are not many tools for their complex simulations. The problems of phase transformation simulation are related to the proper consideration of diffusion, movement of phase boundaries and kinetics of transformation. The proposed new model at the final stage of development will take into account the varying grain growth rate, different shape of growing grains and will allow for proper modeling of heat flow and carbon diffusion during the transformation in many processes, where heating, annealing and cooling can be considered (e.g. homogenizing and normalizing).

One of the most suitable methods for modeling of microstructure evolution during the phase transformation is cellular automata (CA), while lattice Boltzmann method (LBM) suits for modeling of diffusion and heat flow. Then, the proposed new hybrid model is based on CA and LBM methods and uses high performing parallel computations.

The first simulation results obtained for one-dimensional modeling confirm the correctness of interaction between LBM and CA in common numerical solution and the possibility of using these methods for modeling of phase transformations. The advantages of the LBM method can be used for the simulation of heat flow and diffusion during the transformation taking into account the results obtained from the simulations. LBM creates completely new possibilities for modeling of phase transformations in combination with CA.

The studies are focused on diffusion phase transformations in solid state in condition of low cooling rate (e.g. transformation of austenite into ferrite and pearlite) and during the heating and annealing (e.g. transformation of the ferrite-pearlite structure into austenite, the alignment of carbon concentration in austenite and growth of austenite grains) in carbon steels within a wide range of carbon content. The paper presents the comprehensive modeling system, which can operate with the technological processes with phase transformation during heating, annealing or cooling.

A brief review of the modeling of phase transformations and a description of the structure of a new CA and LBM hybrid model and its modules are presented in the paper. In the first stage of model implementation, the one-dimensional LBM model of diffusion and heat flow was developed. The examples of simulation results for several variants of modeling with different boundary conditions are shown.

To make wind energy (one of the alternative-energy production technologies) economical, wind-turbines (convertors of wind energy into electrical energy) are required to operate, with only regular maintenance, for at least 20 years. However, some key wind-turbine components (especially the gear-box) often require significant repair or replacement after only three to five years in service. This causes an increase in both the wind-energy cost and the cost of ownership of the wind turbine. The paper aims to discuss these issues.

To overcome this problem, root causes of the gear-box premature failure are currently being investigated using mainly laboratory and field-test experimental approaches. As demonstrated in many industrial sectors (e.g. automotive, aerospace, etc.) advanced computational engineering methods and tools cannot only complement these experimental approaches but also provide additional insight into the problem at hand (and do so with a substantially shorter turn-around time). The present work demonstrates the use of a multi-length-scale computational approach which couples large-scale wind/rotor interactions with a gear-box dynamic response, enabling accurate determination of kinematics and kinetics within the gear-box bearings (the components most often responsible for the gear-box premature failure) and ultimately the structural response (including damage and failure) of the roller-bearing components (e.g. inner raceways).

It has been demonstrated that through the application of this approach, one can predict the expected life of the most failure-prone horizontal axis wind turbine gear-box bearing elements.

To the authors’ knowledge, the present work is the first multi-length-scale study of bearing failure in wind-turbines.

This study aims to investigate the effect of ultrasound on interfacial microstructures and growth kinetics of intermetallic compounds (IMCs) at different temperatures.

To investigate the effect of ultrasound on IMCs growth quantitatively, the cross-sectional area of IMCs layers over a confirmed length was obtained for calculating the thickness of the IMCs layer.

The generation of dimensional difference in normal direction between Cu₆Sn₅ and its adjacent Cu₆Sn₅, formation of bossed Cu₆Sn₅ and non-interfacial Cu₆Sn₅ in ultrasonic solder joints made the interfacial Cu₆Sn₅ layer present a non-scallop-like morphology different from that of traditional solder joints. At 260°C and 290°C, the Cu₃Sn layer presented a wave-like shape. In contrast, at 320°C, the Cu₃Sn in ultrasonic solder joints consisted of non-interfacial Cu₃Sn and interfacial Cu₃Sn with a branch-like shape. The Cu₆Sn₅/Cu₃Sn boundary and Cu₃Sn/Cu interface presented a sawtooth-like shape under the effect of ultrasound. The predominant mechanism of ultrasonic-assisted growth of Cu₆Sn₅ growth at 260°C, 290°C and 320°C involved the grain boundary diffusion accompanied by grain coarsening. The Cu₃Sn growth was controlled by volume diffusion during the ultrasonic soldering process at 260°C and 290°C. The diffusion mechanism of Cu₃Sn growth transformed to grain boundary diffusion accompanied by grain coarsening when the ultrasonic soldering temperature was increased to 320°C.

The microstructural evolution and growth kinetics of IMCs in ultrasonically prepared ultrasonic solder joints at different temperatures have rarely been reported in previous studies. In this study, the effect of ultrasound on microstructural evolution and growth kinetics of IMCs was systematically investigated.

A new recently proposed mechanism of the lenticular grain face bubble migration which controls the bubble mobility and determines the drag force exerted on the grain boundary, is further developed in application to the peripheral (edge and corner) intergranular bubbles. It is shown that contribution of the peripheral bubbles to the retarding effect can be significant, especially under irradiation conditions with high fission rates in UO2 fuel. In addition, simultaneous consideration of intergranular bubbles and pores evolution allows further improvement of the model predictions for grain growth under irradiation conditions. The improved model was implemented in the integral code MFPR, which is designed for modelling of fission product release from irradiated UO2 fuel, and validated against various tests under irradiation and annealing conditions with various types (dense and porous) fuel pellets.

This paper aims to study the oxidation kinetics of the nanocrystalline Al ultrathin films. The influence of structure and composition evolution during thermal oxidation will be observed. The reason for the change in the oxidation activation energy on increasing the oxidation temperature will be discussed.

Al thin films are deposited on the silicon wafers as substrates by vacuumed thermal evaporation under the base pressure of 2 × 10⁻⁴ Pa, where the substrates are not heated. A crystalline quartz sensor is used to monitor the film thickness. The film thickness varies in the range from 30 to 100 nm. To keep the silicon substrate from oxidation during thermal oxidation of the Al film, a 50-nm gold film was deposited on the back side of silicon substrate. Isothermal oxidation studies of the Al film were carried out in air to assess the oxidation kinetics at 400-600°C.

The activation energy is positive and low for the low temperature oxidation, but it becomes apparently negative at higher temperatures. The oxide grains are nano-sized, and γ-Al₂O₃ crystals are formed at above 500°C. In light of the model by Davies, the grain boundary diffusion is believed to be the reason for the logarithmic oxidation rate rule. The negative activation energy at higher temperatures is apparent, which comes from the decline of diffusion paths due to the formation of the γ-Al₂O₃ crystals.

It is found that the oxidation kinetics of nanocrystalline Al thin films in air at 400-600°C follows the logarithmic law, and this logarithmic oxidation rate law is related to the grain boundary diffusion. The negative activation energies in the higher temperature range can be attributed to the formation of γ-Al₂O₃ crystal.

The purpose of this article is the effect of doping minor Ni on the microstructure evolution of a Sn-xNi (x = 0, 0.05 and 0.1 wt.%)/Ni (Poly-crystal/Single-crystal abbreviated as PC Ni/SC Ni) solder joint during reflow and aging treatment. Results showed that the intermetallic compounds (IMCs) of the interfacial layer of Sn-xNi/PC Ni joints were Ni₃Sn₄ phase, while the IMCs of Sn-xNi/SC Ni joints were NiSn₄ phase. After the reflow process and thermal aging of different joints, the growth behavior of interfacial layer was different due to the different mechanism of element diffusion of the two substrates. The PC Ni substrate mainly provided Ni atoms through grain boundary diffusion. The Ni₃Sn₄ phase of the Sn0.05Ni/PC Ni joint was finer, and the diffusion flux of Sn and Ni elements increased, so the Ni₃Sn₄ layer of this joint was the thickest. The SC Ni substrate mainly provided Ni atoms through the lattice diffusion. The Sn0.1Ni/SC Ni joint increases the number of Ni atoms at the interface due to the doping of 0.1Ni (wt.%) elements, so the joint had the thickest NiSn₄ layer.

The effects of doping minor Ni on the microstructure evolution of an Sn-xNi (x = 0, 0.05 and 0.1 Wt.%)/Ni (Poly-crystal/Single-crystal abbreviated as PC Ni/SC Ni) solder joint during reflow and aging treatment was investigated in this study.

Results showed that the intermetallic compounds (IMCs) of the interfacial layer of Sn-xNi/PC Ni joints were Ni₃Sn₄ phase, while the IMCs of Sn-xNi/SC Ni joints were NiSn₄ phase. After the reflow process and thermal aging of different joints, the growth behavior of the interfacial layer was different due to the different mechanisms of element diffusion of the two substrates.

In this study, the effect of doping Ni on the growth and formation mechanism of IMCs of the Sn-xNi/Ni (single-crystal) solder joints (x = 0, 0.05 and 0.1 Wt.%) was investigated.