Date of Award
Doctor of Philosophy (PhD)
An improved theory of vacancy formation energy and volume, based on local pseudopotential theory, is presented and applied to vacancies in the alkali metals and in aluminum. Good agreement with the existing experimental results is obtained.
The solubility of hydrogen in magnesium has been measured in the temperature interval 400°C - 600°C and for pressures 50 - 760 mmHg, from which the heat of solution of hydrogen has been determined.
A theory of the heat of solution of hydrogen is developed. The host lattice is treated with the local pseudopotential theory.
Nonlinear theory is used for the screening of the proton and a method for an approximate self-consistent solution proposed. The theoretical results for the heats of solution in aluminum and magnesium are in good agreement with the experimental values, particularly when one considers the magnitude of the numbers involved.
Popović, Zoran D., "An Experimental and Theoretical Investigation of Vacancies and Hydrogen in Simple Metals" (1974). Open Access Dissertations and Theses. Paper 3013.