A Study of Dilute Aluminum and Vanadium Nmr in Alpha-Titanium and in Hydrogen Doped Alpha-Titanium (Knight Shift, Electron Distribution, Quadrupole Interaction, Anisotropic, Alloy(hcp))
Chou, Lih-Hsin
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https://hdl.handle.net/2142/71821
Description
Title
A Study of Dilute Aluminum and Vanadium Nmr in Alpha-Titanium and in Hydrogen Doped Alpha-Titanium (Knight Shift, Electron Distribution, Quadrupole Interaction, Anisotropic, Alloy(hcp))
Author(s)
Chou, Lih-Hsin
Issue Date
1985
Department of Study
Metallurgy and Mining Engineering
Discipline
Metallurgical Engineering
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Physics, Condensed Matter
Abstract
Nuclear magnetic resonance was used to investigate Ti-1 at.% V, Ti-2 at.% V, Ti-1 at.% Al, Ti-2 at.% Al and in addition samples of these alloys containing 1 and 2 at.% H. Computer simulation of the absorption curves incorporates the effects of nuclear quadrupole and anisotropic shift interactions, dipolar broadening, and inhomogeneous Knight shift distribution. From the simulation work, experimental parameters such as electric field gradient (EFG), axial anisotropic Knight shift K(,ax), and isotropic Knight shift are obtained. In addition to shedding light on certain features of bonding of V and Al in Ti, this information is used to discuss the trapping of hydrogen in these systems.
The resonance of a simple metal (Al) and transition metal (V) at low concentration in a transition metal (Ti) matrix are compared. The localized states of an Al impurity appear to differ radically from the host Ti atomic structure; V present as a dilute solute appears to join the Ti lattice smoothly. Very small isotropic and anisotropic Knight shifts were observed for ('27)Al in Ti. This implies an absence of an orbital contribution and a small value for the s conduction electron density at the local Fermi surface in the vicinity of Al in Ti. A sizeable isotropic and anisotropic Knight shift was observed for ('51)V in Ti. This is thought to be the result of a large orbital contribution. The substitutional vanadium retains much of the character of V, but experiences the symmetry of the Ti lattice. Four outer electrons of V may form nearest neighbor bonds similarly to those between Ti atoms in pure titanium. The one extra electron on the V may be more s-like in character. Measurement of the temperature dependence of K(,ax) and EFG values at V solute atoms in a Ti matrix show that both K(,ax) and EFG increase as temperature decreases. The local electric field gradient contribution from non-s-electrons q(,non-s-el) is about 2 to 5 times larger than the q(,ion) values in magnitude. Because the sign of the EFG is not determined, the validity of the so called "universal correlation" could not be tested.
For hydrogen charged Ti-2V alloys, a line shape change was observed at both room and liquid nitrogen temperatures. Thermodynamic and kinetic arguments which include the presence of hydride, dissolved hydrogen, and trapped hydrogen (trapping enthalpy 0.05 eV or greater) are offered to explain the data. No change in the solute resonance line was detected for hydrogen charged Ti-1V, or for hydrogen charged Ti-1Al and Ti-2Al.
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