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

EEC-0086508 Vashishta该项目的目标是了解多层陶瓷膜的约束烧结中涉及的原子过程以及使用大规模分子动力学模拟的烧结系统的机械性能。 研究将集中在1）陶瓷/陶瓷界面，涉及，Si 3 N4，SiC和Al 2 O3与无定形SiO2夹层;和2）烧结在层压多层膜组成的纳米颗粒的这些陶瓷与玻璃涂层。 其目标是调查：结构，应力，摩擦和界面脱粘;热膨胀失配/各向异性，纳米颗粒尺寸和界面玻璃层对烧结的影响;残余应力分布;和分层。 算法将设计进行多尺度模拟相结合的粗粒度MD和有限元方法在元计算环境中的多个并行机，大容量存储设备，沉浸式和交互式的虚拟环境中的网格与高速网络。拟议的研究将有重大影响，在电子工业中的新的多层陶瓷集成电路技术。

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.