ME Molecular Dynamics Simulation of the Sintering Process of the Porous ITO Material

Abstract:

Simulated the sintering process of the porous ITO gas-sensitive material with Materials Explorer 5.0. Observed the the process of neck formation and growth, grain growth and pore shrunk. Than, compared the result with experimentation. We found that the simulation results were similar to the microstructure photos. At the same time, we could observe the migration process of atoms in simulation results which we cannot observe in actual experiment. It proves that we get the theory basis of the experiment result estimate and proved the guiding effect of molecular dynamics simulation to the actual experiment.

• Periodical: Advanced Materials Research (Volumes 602-604)
• Pages: 1744-1748
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.602-604.1744
• Online since: December 2012
• Authors: Xiao Long Zhou*, Jian Chun Cao, Hao Feng, Yu Cao, Yong Jun Fan, Jing Chao Chen
• Keywords: Compared with Experimentation, Materials Explorer, Molecular Dynamics (MD) Simulation, Porous ITO, Sintering Process

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