Computer Simulation of the Microstructure Developed in Reaction‐Sintered Silicon Nitride Ceramics

A simulation model of the microstructure developed during the reaction sintering of ultrafine silicon powders is presented. The model employs interactive subroutines that describe particle compaction, sintering, and nitridation. The particle compaction model is based on a random particle packing model, whereas the sintering and reaction sintering models are based on the modified grain model and the sharp interface model (SIM). Microstructural changes due to the competition between chemical reaction and sintering are taken into account in the model. The results predicated by this model show good agreement with experimental data from previous studies.

[1]  J. Merkin,et al.  Transport effects in the manufacture of reaction-bonded silicon nitride , 1979 .

[2]  K. K. Kim,et al.  Diffusion in nickel oxide pellets–effects of sintering and reduction , 1974 .

[3]  D. Harrison,et al.  The variable property grain model applied to the zinc oxide-hydrogen sulfide reaction , 1981 .

[4]  A. Moulson,et al.  Nitridation of high-purity silicon , 1975 .

[5]  R. Brook,et al.  Hot-pressing and the α-β phase transformation in silicon nitride , 1978 .

[6]  J. Smith,et al.  Effect of sintering and porosity changes on rates of gas—solid reactions , 1977 .

[7]  E. M. Tory,et al.  Simulated random packing of equal spheres , 1973 .

[8]  James W. Evans,et al.  A structural model for gas—solid reactions with a moving boundary , 1970 .

[9]  D. D. Perlmutter,et al.  A random pore model for fluid‐solid reactions: I. Isothermal, kinetic control , 1980 .

[10]  M. Ishida,et al.  Comparison of kinetic and diffusional models for solid-gas reactions. , 1968 .

[11]  R. E. Carter Kinetic Model for Solid‐State Reactions , 1961 .

[12]  W. Ray,et al.  On the optimum temperature progression for irreversible non-catalytic gas—solid reactions , 1973 .

[13]  O. Gregory,et al.  Nitridation of high-purity single-crystal silicon☆ , 1982 .

[14]  D. D. Perlmutter,et al.  A random pore model for fluid‐solid reactions: II. Diffusion and transport effects , 1981 .

[15]  O. Yeheskel,et al.  Hot isostatic pressing of Si3N4 with Y2O3 additions , 1984 .

[16]  Ka Ming Ng,et al.  A model for flow regime transitions in cocurrent down‐flow trickle‐bed reactors , 1986 .

[17]  H. Jennings On reactions between silicon and nitrogen , 1983 .

[18]  M. Ishida,et al.  Comparison of zone-reaction model and unreacted-core shrinking model in solid—gas reactions—II non-isothermal analysis , 1971 .

[19]  R. A. Marra,et al.  Sinterable Ceramic Powders from Laser-Driven Reactions: I, Process Description and Modeling , 1982 .

[20]  S. Bhatia Analysis of distributed pore closure in gas‐solid reactions , 1985 .

[21]  S. Danforth,et al.  Microstructural analysis of reaction-bonded silicon nitride , 1976 .

[22]  C. Y. Wen,et al.  NONCATALYTIC HETEROGENEOUS SOLID-FLUID REACTION MODELS , 1968 .

[23]  Charles H. Bennett,et al.  Serially Deposited Amorphous Aggregates of Hard Spheres , 1972 .

[24]  W. Kingery,et al.  Study of the Initial Stages of Sintering Solids by Viscous Flow, Evaporation‐Condensation, and Self‐Diffusion , 1955 .

[25]  G. Welsch,et al.  Sintering of Ultrafine Silicon Powder , 1985 .

[26]  A. Moulson,et al.  A mechanism for the nitridation of silicon powder compacts , 1974 .

[27]  S. Danforth,et al.  Mechanical Properties of Sintered and Nitrided Laser‐Synthesized Silicon Powder , 1983 .

[28]  W. Visscher,et al.  Random Packing of Equal and Unequal Spheres in Two and Three Dimensions , 1972, Nature.

[29]  J. D. BERNAL,et al.  Packing of Spheres: Co-ordination of Randomly Packed Spheres , 1960, Nature.

[30]  J. Szekely,et al.  A structural model for gas-solid reactions with a moving boundary-II: The effect of grain size, porosity and temperature on the reaction of porous pellets , 1971 .

[31]  J. Merkin,et al.  A theoretical model of the manfacture of reaction-bonded silicon nitride with particular emphasis on the effect of ambient reaction temperature and compact size , 1980 .

[32]  P. Wong,et al.  Kinetics of Nitridation of Si Powder Compacts , 1973 .

[33]  H. Jennings,et al.  Simulation of Microstructure Development During the Hydration of a Cement Compound , 1986 .

[34]  M. J. Powell Computer-simulated random packing of spheres , 1980 .

[35]  A. J. Matheson Computation of a random packing of hard spheres , 1974 .

[36]  F. Dullien 3 – Pore Structure , 1979 .

[37]  S. Chan,et al.  GEOMETRICAL CHARACTERISTICS OF A COMPUTER-GENERATED THREE-DIMENSIONAL PACKED COLUMN OF EQUAL AND UNEQUAL SIZED SPHERES—WITH SPECIAL REFERENCE TO WALL EFFECTS , 1986 .

[38]  G. Dunlop,et al.  Development of microstructure during the fabrication of Si3N4 by nitridation and pressureless sintering of Si:Si3N4 compacts , 1985 .

[39]  J. Smith,et al.  Diffusion in catalyst pellets , 1962 .

[40]  P. A. Ramachandran,et al.  Modeling of noncatalytic gas‐solid reactions , 1982 .

[41]  R. Flagan,et al.  Reaction Sintering of Submicrometer Silicon Powder , 1987 .

[42]  D. Harrison,et al.  The grain model applied to porous solids with varying structural properties , 1979 .

[43]  D. J. Adams,et al.  Computation of Dense Random Packings of Hard Spheres , 1972 .