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Title: Phase transitions in high-purity zirconium under dynamic compression

Abstract

In this work, we present results from ramp compression experiments on high-purity Zr that show the α → ω, ω → β, as well as reverse β → ω phase transitions. Simulations with a multi-phase equation of state and phenomenological kinetic model match the experimental wave profiles well. While the dynamic α ! ! transition occurs ~ 9 GPa above the equilibrium phase boundary, the ω → β transition occurs within 0.9 GPa of equilibrium. We estimate that the dynamic compression path intersects the equilibrium ω – β line at P = 29:2 GPa, and T = 490 K. The thermodynamic path in the interior of the sample lies ~ 100 K above the isentrope at the point of the ω → β transition. Approximately half of this dissipative temperature rise is due to plastic work, and half is due to the non-equilibrium α → ω transition. The inferred rate of the α → ω 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. We find that the shear stress sji has themore » same effect on the nucleation rate as a pressure increase δP = cϵijsji/(ΔV/V); where c is a geometric constant ~ 1 and, ϵij are the transformation shear strains. The small fractional volume change ΔV/V ≈ 0:1 at the α → ω transition amplifies the effect of shear stress, and we estimate that for this case δP is 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.« less

Authors:
ORCiD logo [1];  [2];  [3];  [4]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  4. Washington State Univ., Argonne, IL (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1879389
Alternate Identifier(s):
OSTI ID: 1872038; OSTI ID: 1879805; OSTI ID: 1890642
Report Number(s):
LA-UR-21-31479; SAND2022-7020J; LLNL-JRNL-837947
Journal ID: ISSN 2469-9950; TRN: US2307641
Grant/Contract Number:  
89233218CNA000001; NA0003525; AC02-06CH11357; AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 105; Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Zirconium Pressure Phase; zirconium pressure phase; Physics

Citation Formats

Greeff, Carl William, Brown, Justin L., Velisavljevic, Nenad, and Rigg, Paulo A. Phase transitions in high-purity zirconium under dynamic compression. United States: N. p., 2022. Web. doi:10.1103/physrevb.105.184102.
Greeff, Carl William, Brown, Justin L., Velisavljevic, Nenad, & Rigg, Paulo A. Phase transitions in high-purity zirconium under dynamic compression. United States. https://doi.org/10.1103/physrevb.105.184102
Greeff, Carl William, Brown, Justin L., Velisavljevic, Nenad, and Rigg, Paulo A. Mon . "Phase transitions in high-purity zirconium under dynamic compression". United States. https://doi.org/10.1103/physrevb.105.184102. https://www.osti.gov/servlets/purl/1879389.
@article{osti_1879389,
title = {Phase transitions in high-purity zirconium under dynamic compression},
author = {Greeff, Carl William and Brown, Justin L. and Velisavljevic, Nenad and Rigg, Paulo A.},
abstractNote = {In this work, we present results from ramp compression experiments on high-purity Zr that show the α → ω, ω → β, as well as reverse β → ω phase transitions. Simulations with a multi-phase equation of state and phenomenological kinetic model match the experimental wave profiles well. While the dynamic α ! ! transition occurs ~ 9 GPa above the equilibrium phase boundary, the ω → β transition occurs within 0.9 GPa of equilibrium. We estimate that the dynamic compression path intersects the equilibrium ω – β line at P = 29:2 GPa, and T = 490 K. The thermodynamic path in the interior of the sample lies ~ 100 K above the isentrope at the point of the ω → β transition. Approximately half of this dissipative temperature rise is due to plastic work, and half is due to the non-equilibrium α → ω transition. The inferred rate of the α → ω 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. We find that the shear stress sji has the same effect on the nucleation rate as a pressure increase δP = cϵijsji/(ΔV/V); where c is a geometric constant ~ 1 and, ϵij are the transformation shear strains. The small fractional volume change ΔV/V ≈ 0:1 at the α → ω transition amplifies the effect of shear stress, and we estimate that for this case δP is 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.},
doi = {10.1103/physrevb.105.184102},
journal = {Physical Review. B},
number = 18,
volume = 105,
place = {United States},
year = {Mon May 09 00:00:00 EDT 2022},
month = {Mon May 09 00:00:00 EDT 2022}
}

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