SINTERING OF MULTILAYERED CERAMIC FILMS: LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS ON PARALLEL COMPUTERS

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EEC-0086508VashishtaThe goal of this project is to understand atomistic processes involved in the constrained sintering of multilayered ceramic films and the mechanical properties of the sintered systems using large-scale molecular dynamics simulations. Research will focus on 1) ceramic/ceramic interfaces involving, Si3N4, SiC, and Al2O3 with amorphous SiO2 interlayers; and 2) sintering in laminated multilayer films consisting of nanoparticles of these ceramics with glassy coating. The objectives are to investigate: structure, stresses, friction, and debonding at interfaces; effects of thermal-expansion mismatch/anisotropy, nanoparticle size, and interfacial glassy layers on sintering; residual stress distribution; and delamination. Algorithms will be designed to carry out multiscale simulations combining the coarse-grained MD and the finite element methods in a metacomputing environment with multiple parallel machines, mass storage devices, and immersive and interactive virtual environments on a Grid with high speed networks.The proposed research will have significant impact on new multilayer ceramic integrated circuit technologies in the electronic industry.