Molecular dynamics calculation of thermal expansion coefficient of a series of rare-earth zirconates

To develop more reliable and stable thermal barrier coatings, low thermal conductivity materials with higher thermal expansion coefficients (TECs), like rare-earth zirconates (A 2Zr 2O 7, A = La, Nd, Sm, Eu, Gd, Er, Yb and Lu), have been the focus of a great deal of attention in recent years. But th...

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