Phase Transitions in High Purity Zr Under Dynamic Compression

TL;DR

This study investigates phase transitions in high-purity zirconium under dynamic compression, revealing the effects of shear stress and non-equilibrium conditions on transition pressures and rates through experiments and simulations.

Contribution

It provides new insights into the kinetics and thermodynamics of zirconium phase transitions under dynamic conditions, highlighting the role of shear stress and non-equilibrium effects.

Findings

Dynamic $eta ightarrow ext{omega}$ transition occurs near equilibrium pressure.

Shear stress significantly influences the nucleation rate of phase transitions.

Transition rates are affected by non-hydrostatic stress conditions, aligning with DDAC results after correction.

Abstract

We present results from ramp compression experiments on high-purity Zr that show the $\alpha \rightarrow \omega$, $\omega \rightarrow \beta$, as well as reverse $\beta \rightarrow \omega$ phase transitions. Simulations with a multi-phase equation of state and phenomenological kinetic model match the experimental wave profiles well. While the dynamic $\alpha \rightarrow \omega$ transition occurs $\sim 9$ GPa above the equilibrium phase boundary, the $\omega \rightarrow \beta$ transition occurs within 0.9~GPa of equilibrium. We estimate that the dynamic compression path intersects the equilibrium $\omega - \beta$ line at $P= 29.2$ GPa, and $T = 490$ K. The thermodynamic path in the interior of the sample lies $\sim 100$ K above the isentrope at the point of the $\omega \rightarrow \beta$ transition. Approximately half of this dissipative temperature rise is due to plastic work, and half is due to the non-equilibrium $\alpha \rightarrow \omega$ transition. The inferred rate of the $\alpha \rightarrow \omega$ transition is several orders of magnitude higher than that measured in dynamic diamond anvil cell (DDAC) experiments in an overlapping pressure range. We discuss a model for the influence of shear stress on the nucleation rate. The small fractional volume change $\Delta V/V \approx 0.1$ at the $\alpha \rightarrow \omega$ transition amplifies the effect of shear stress, and we estimate that for this case shear stress is equivalent to a pressure increase in the range of several GPa. Correcting our transition rate to a hydrostatic rate brings it approximately into line with the DDAC results, suggesting that shear stress plays a significant role in the transformation rate.