Tuning the shell structure deformation of APS thermal barrier coatings: A molecular dynamics study

Abstract

A key parameter for the performance of ceramic topcoats in a thermal barrier coating is the porosity, which is sensitive to many growing conditions. In the present work, molecular dynamics simulations are performed to investigate the microscopic mechanism for the dependence of the porosity on several experimental conditions in the atmospheric plasma spraying deposition process, including temperature, substrate roughness, and the thickness-to-radius ratio of the yttrium-stabilized zirconia shell. These factors can significantly modify the porosity through changing the buckling mode of the yttrium-stabilized zirconia shell. Our findings provide some microscopic mechanisms for improving the deposition quality of the atmospheric plasma spraying thermal barrier coatings.