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An Atomistic Modeling Study of Electric Field Effect on Sintering Mechanisms of Zirconia

  • Kyrel Polifrone,
  • Colin Delaney,
  • Md. Shahrier Hasan,
  • Hadia Bayat,
  • Christopher Foronda,
  • Eugene Olevsky,
  • Wenwu Xu

摘要

This study explores the impact of electric field and temperatureTemperature on flash sinteringFlash sintering of zirconia nanoparticlesNanoparticles using molecular dynamics simulationsMolecular dynamics simulation. The findings suggest that the electric field effect is secondary to the temperatureTemperature effect. A comparison of simulations varying temperatureTemperature and electric field reveals a more significant difference in diffusion coefficient with temperatureTemperature variations. Furthermore, the electric field effect does not exhibit a consistent monotonic trend, as seen in the changing order of curves when temperatureTemperature increases. The induced electric field contributes to crystal orientation alignment and promotes surface mechanisms throughout the sinteringSintering stages. While a higher electric field leadsLead to greater atomic motion in the initial stage, the relationship is not strictly monotonic. However, it consistently enhances the diffusion coefficient of surface atoms, highlighting its role in surface mechanisms. Further research is warranted to fully understand the interplay between electric field, temperatureTemperature, and sintering mechanismsSintering mechanisms.