Computer simulations sintering

The structural and morphological properties of monoclinic Zr02 samples calcined at increasing temperatures were investigated by XRD, HRTEM, and IR techniques (603, 604). The data show that the (111) face is predominant, and the (001) and (011) faces were observed only for samples sintered at low temperatures. Two types of surface OH groups and undissociated, strongly coordinated H20 molecules were detected by IR spectroscopy. Computer simulations of the (111), (001), and (011) faces were used to explain the experimental results. 

Rakovan J, Reeder RJ, Rlzinga EJ, Cherniak DJ, Tail CD, Morris DE (in press) Structural characterization of U(VI) in apatite by X-ray absorption spectroscopy. Environ Sci Techn Robinson, MT (1983) Computer simulation of collision cascades in monazite. Phys Rev B 27 5347-5359 Reis ST, Martinelli IR (1999) Cs iimnobilization by sintered lead iron phosphate glasses. J Non-Ciystalhne Solids. 247 241-247... 

Bross P, Exner HE (1979) Computer-simulation of sintering processes. Acta Metall 27 1013-1020... 

Ross JW, Miller WA, Weatherly GC (1981) Dynamic computer-simulation of viscous-flow sintering kinetics. J Appl Phys 52 3884—3888... 

Li F, Pan J and Cocks ACF (2012) A new numerical scheme for computer simulation of multiple cracking in ceramic films during constrained sintering. Modelling and Simulation in Materials Science and Engineering, 20 035008 (16p). 

The reconstructed digital materials previously mentioned are another way to simulate soot deposition apart from the unit-cell models. An example of soot deposition in such a digital material (reconstructed with a process-based algorithm that creates and sinters grains from a pre-computed grain library ) is shown in Fig. 19(a). As time passes the transition from deep bed to cake filtration as the top regions of the filter gets filled with soot is evident in... 

An alternative to stochastic reconstruction of multiphase media is the reconstruction based on the direct simulation of processes by which the medium is physically formed, e.g., phase separation or agglomeration and sintering of particles to form a porous matrix. An advantage of this approach is that apart from generating a medium for the purpose of further computational experiments, the reconstruction procedure also yields information about the sequence of transformation steps and the processing conditions required in order to form the medium physically. It is thereby ensured that only physically realizable structures are generated, which is not necessarily the case when a stochastic reconstruction method such as simulated annealing is employed. 

Wei S, Zhang Z-H, Shen X-B, Wang F-C, Sun M-Y, Yang R et al (2012) Simulation of temperature and stress distributions in functionally graded matraials synthesized by a spark plasma sintering process. Comput Mater Sci 60 168—175... 

Mori, K. (2006). Finite element simulation of powder forming and sintering. Comput. 

When the spring constant is adjusted to save computation time, one has to be careful not to modify the elementary particle-to-particle interactions significantly. Kuwagi et al. [10] assumed that a real collision takes place in every fictitious collision predicted by the modified spring constant and simulated metallic solid sintering in fluidized bed. A similar approach can be adopted to deal with particle-to-particle heat transfer and/or van der Waals interactions. 

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