Titanium-hydrogen interaction at high pressure

AB Mazitov and AR Oganov and AV Yanilkin, JOURNAL OF APPLIED PHYSICS, 123, 235901 (2018).

DOI: 10.1063/1.5038933

The process of transport of metal particles (ejecta) in gases is the subject of recent works in the field of nuclear energetics. We studied the process of dissolution of titanium ejecta in warm dense hydrogen at hundred GPa pressure. Thermodynamic and kinetic properties of the process were investigated using classical and quantum molecular dynamics methods. We estimated the dissolution time of ejecta, the saturation limit of titanium atoms with hydrogen, and the heat of dissolution. It was found that particles with a radius of 1 mu m dissolve in hydrogen in a time of 1.5 x 10(-2) mu s, while the process of mixing can be described by diffusion law. The presented approach demonstrates the final state of the titanium-hydrogen system as a homogenized fluid with completely dissolved titanium particles. This result can be generalized to all external conditions under which titanium and hydrogen are atomic fluids. Published by AIP Publishing.

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