Ti-6Al-4V to over 1.2 TPa: Shock Hugoniot experiments, ab initio calculations, and a broad-range multiphase equation of state

Kalita, Pat; Cochrane, Kyle R.; Knudson, Marcus D.; Ao, Tommy; Blada, Carrie; Jackson, Jerry; Gluth, Jeffry; Hanshaw, Heath; Scoglietti, Ed; Crockett, Scott D.

doi:10.1103/physrevb.107.094101

Title: Ti-6Al-4V to over 1.2 TPa: Shock Hugoniot experiments, ab initio calculations, and a broad-range multiphase equation of state

Journal Article · Wed Mar 01 00:00:00 EST 2023 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.107.094101· OSTI ID:2008286

Kalita, Pat ^[1]; Cochrane, Kyle R. ^[1]; Knudson, Marcus D. ^[1];

^[1]; Blada, Carrie ^[1]; Jackson, Jerry ^[1];

^[1]; Hanshaw, Heath ^[1];

^[1];

^[2]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Titanium alloys are used in a large array of applications. In this work we focus our attention on the most used alloy, Ti-6Al-4V (Ti64), which has excellent mechanical and biocompatibility properties with applications in aerospace, defense, biomedical, and other fields. Here we present high-fidelity experimental shock compression data measured on Sandia’s Z machine. We extend the principal shock Hugoniot for Ti64 to more than threefold compression, up to over 1.2 TPa. We use the data to validate our ab initio molecular dynamics simulations and to develop a highly reliable, multiphase equation of state (EOS) for Ti64, spanning a broad range of temperature and pressures. The first-principles simulations show very good agreement with Z data and with previous three-stage gas gun data from Sandia’s STAR facility. The resulting principal Hugoniot and the broad-range EOS and phase diagram up to 10 TPa and 10⁵ K are suitable for use in shock experiments and in hydrodynamic simulations. The high-precision experimental results and high-fidelity simulations demonstrate that the Hugoniot of the Ti64 alloy is stiffer than that of pure Ti and reveal that Ti64 melts on the Hugoniot at a significantly lower pressure and temperature than previously modeled.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: 89233218CNA000001; NA0003525

OSTI ID:: 2008286

Alternate ID(s):: OSTI ID: 2311660

Report Number(s):: LA-UR-22-30059; SAND-2023-01252J

Journal Information:: Physical Review. B, Vol. 107, Issue 9; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Ti-6Al-4V to over 1.2 TPa: Shock Hugoniot experiments, ab initio calculations, and a broad-range multiphase equation of state

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