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DOE OSTI · 3001271

Ab initio equation of state for vanadium

Paul, McKinley Kinard [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]·Despain, Jadon Clinton [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]·Mathis, Mark Alan [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000319379666)·Li, Sabrina Jiayin [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000272601169)·Rehn, Daniel Adam [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000151390393)
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Abstract

Accurate materials’ equations of state (EOS) are essential for understanding materials properties as well as for use in multiphysics simulations. In particular, hydrodynamics simulations are based on three fundamental conservation laws (mass, momentum and energy) that form an under-determined system of equations. The equation of state serves as an additional closure relation between thermodynamic variables for a given material that enables numerical hydrodynamics simulation. In this report, we focus on the development of an ab initio EOS for the body centered cubic (BCC) phase of Vanadium (V) for eventual integration into a multiphase EOS in the OpenSesame EOS database.

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36 MATERIALS SCIENCE

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Paul, McKinley Kinard [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)], Despain, Jadon Clinton [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)], Mathis, Mark Alan [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000319379666), Li, Sabrina Jiayin [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000272601169), Rehn, Daniel Adam [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000151390393). 2025-08-30. Ab initio equation of state for vanadium. https://doi.org/10.2172/3001271

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