Persons at STU
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Basic information about a final thesisAdditional informationAdditional information about the final thesis follows. Click on the language link to display the information in the desired language.
|Language of final thesis:||English|
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|Title of the thesis:||Phase diagram of titanium from first principles calculations|
|Summary:||The aim of this work was to study the phase transition curve between α and ω phases of titanium, and to predict the phase transition curve using first principles calculations based on density functional theory. In this work, we have analyzed the contribution of 0 K total energy, phonon Helmholtz free energy and thermal electronic contribution to the Gibbs free energy. we have developed semi-automated protocols to calculate all relevant thermodynamic quantities. We present preliminary results of titanium α-ω phase coexistence curve. |
|Key words:||Phase diagram, Calculations from first principles , Density functional theory, Gibbs free energy, Helmholtz free energy|
To display the final thesis assignment form click on the Display the final thesis assignment form icon. The following icons - Final thesis, Thesis appendices, Supervisor's review, Opponent's review - relate to the final thesis and can be downloaded. They could be displayed on condition they have been inserted and are available publicly.Parts of thesis with postponed release:
|–||Final thesis (final thesis appendices) unlimited|
|–||Reviews for final thesis unlimited|