The valence electron structure analysis on the influence of hydrogen solid solution to the thermoplasticity of α-Ti and β-Ti
2017
The thermo-hydrogen (THP) of titanium can improve the thermoplasticity
performance by increasing volume fraction of the plastic phase, promoting
the movement of dislocations and reducing the flow stress. It can
significantly reduce the difficulty of titanium alloy hot working.
Most of the explainations on THP remain at the grain and phase scale
and some researches at the electron scale are not clear enough, which
cannot fully reveal the mechanism of hydrogen induced thermoplasticity
of titanium. Empirical electron theory (EET) of solids and molecules
was applied to analysis the changes of valence electron structures
when H dissolved into different interstices of α-Ti or β-Ti.
Through bond length diffrence method (BLD), the the number of covalent
bonding electron pairs between Ti-Ti, the energy of the chemical bond
and the lattice electron density between glide planes were calculated,
it can be got that the obvious decrease of he number of covalent bonding
electron pairs and the energy of the chemical bond between Ti-Ti,
and the increase of the lattice electron density between glide planes
are the essential reasons of hydrogen induced thermoplasticity of
titanium.
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