ADDIS ABABA UNIVERSITY

SCHOOL OF GRADUATE STUDIES

MASTER’S THESIS PROPOSAL FORM

INTRODUCTION
1. This form must be completed in three copies
2. Additional pages may be inserted as necessary

II

IDENTIFICATION
Name:--------------------------Daniel Gebreegziabher Kiflu

Faculty/college/institute:---Natural Science

Department:------------------Material Science

Major:--------------------------PHYSICS

Advisor:------------------------Dr. Mulugeta_Bekele

Title of Thesis:---------------Statistical thermodynamics of ordered intermetallic

B2-NiAl and B2-CoAl binary alloys containing point defect
III. The Project

What are your research goals? Describe the background of the problem.
Giving a measure of its magnitude (how widespread and important)

Intermetallic compounds are defined as solid phases containing two or more metallic
elements, with optionally one or more non metallic elements, whose crystal structure
differs from that of the other constituents.
The relationship between point defect properties and thermodynamic data of ordered
intermetallic compounds can be described quantitatively by statistical thermodynamic
models of the Bragg-Williams type. From thermodynamic data as functions of the
composition and, if available of the temperature, enthalpy and entropy parameters can be
calculated that characterize the interaction between pairs of atoms.
In the present work it is shown that the B2-phases NiAl and CoAl can be described by the
triple defect model based on such kind of model.
Compared with other statistical thermodynamic methods (Wagner-Schottky approach, ab
initio electron theory based approach) the Bragg-Williams formalism is an easy
applicable method that- proper use supposed- leads to accurate predictions concerning
thermodynamic as well as defect properties.

IV. OBJECTIVES
What are the specific and general objectives of the thesis research?

The primary objective of the present work is to contribute to the investigation of the
relationship between thermodynamic properties and the internal structure of the B2-NiAl
and B2-CoAl alloys.
Ordered intermetallic compounds draw great interest at the present time because of both
possible applications and fundamental scientific importance. The scientific interest is
derived from the recognition that many intermetallics exhibit considerable ranges of
nonstoichiometry which correspond to the presence of constitutional point defects which
are temperature independent. Additional to these constitutional point defects thermally
activated point defects can occur. The total defect structure (i.e. the types and the
concentrations of the point defects) determines important properties of the intermetallic
compounds (e.g. all diffusion dependent properties). Hence, for understanding and
control of these properties a detailed knowledge of the defect structure in intermetallic
compounds as function of composition and temperature within the homogeneity range of
the compounds is a prerequisite.
Thermodynamic quantities are important properties for the prediction of the stability of
intermetallic compounds. The internal structure of the ordered alloys is determined
largely by the types and concentrations of the point defects present in the structure. The
crystal structures of the compounds studied will be presented. Statistical thermodynamic
models of the Bragg-Williams type will be introduced as a method for quantifying
relationships between thermodynamic properties and defects of intermetallic compounds.
We will then check if our description agrees with the known experimental results.
V. METHODS
Describe in general terms the methods to be employed to achieve the objectives of the research, data,
sources, collection, experimentation and processing of data, method of arriving at conclusions.

The method to be employed will be statistical thermodynamics of ordered intermetallic compounds

containing point defect on the basis of a Bragg Williams approach.
The proposed modeling will be checked whether it is successfully applied to B2 compounds, namely B2-
NiAl and B2-CoAl, or not using measured thermodynamic properties and defect concentrations.
For studying point defect concentrations, the outline is as follows: we divide the rigid, body centered cubic
lattice into two interpenetrating cubic sublattice called α and β which are made up of the cube corners and
body centers respectively. We write a generic free energy function(G) that involves the temperature T and
the six sublattice occupancies viz., the A(Ni,Co), B(Al) and vacancies(V) on the two sublattices α and β.
We use the constraints on the number of α and β sublattice sites viz., the number of α sublattice sites equal
to the number of β sublattice sites, to write G as a function of four of the six sublattice occupancies and T.
The G can now be minimized with respect to the three auxiliary variables.

VI. PROCEDURE
Give a breakdown of the thesis into its component stages, estimating the amount of time which will be
required for the work involved in each of the stages and giving an approximate timetable for the completion
of each stage, and the project as a whole.

List of activities Sep. Oct. Nov. Dec. Jan. Feb. Mar. Apr. May Jun. Jul.
Title selection X
Proposal submission X
Performing test Jobs X X X
Computational work of X X
the thesis
Data analysis and thesis X
writing
Thesis submission X

VII. APPLICATION OF RESULTS

What are the probable applications of results? Who will benefit from your
results and why?

Intermetallic compounds are generally brittle and high melting. They often offer a
compromise between ceramic and metallic properties when hardness and/or resistance to
high temperatures is important enough to sacrifice some toughness and ease of
processing. They can also display desirable magnetic, superconducting and chemical
properties, due to their strong internal order and mixed (metallic and covalent/ionic)
bonding, respectively. Intermetallics have given rise to various novel materials
developments. Some examples include alnico and the hydrogen storage materials in
nickel metal hydride batteries. Ni3Al, which is the hardening phase in the familiar nickel-
base superalloys, and the various titanium aluminides have also attracted interest for
turbine blade applications, while the latter is also used in very small quantities for grain
refinement of titanium alloys.
VIII. COST OF THE PROJECT
Give an itemized listing of the costs involved in the thesis excluding those costs which are normally borne
by the Faculty.

Number Item Quantity Unit price Total price

(Birr) (Birr)
1 Typing and duplicating paper 8RIM 60.00 480.00
2 Flash disk 1 500.00 500.00
3 DVD-RW 5 35.00 175.00
4 CD-RW 20 20.00 400.00
5 Flat Dell computer 1 10000.00 10000.00
6 Printing and photocopy of books and journals, can 5000 0.75 3700.00
be searched from internet
7 HP Laser Jet Cartridge C7115A (13A) 1 800.00 800.00
8 Binding 3 copies of thesis 3 15.00 45.00
Total 16100.00
10% contingency 1610.00
Grand Total 17710.00

IV. REFERENCES
Provide a list of references to works cited in the proposal.


Statistical thermodynamics of ordered intermetallic compounds containing point defects
PHILOSOPHICAL MAGAZINE A, 2001, VOL. 81, NO. 11, 2591 - 2612
Intermetallics, Wiley-VCH, Weinheim 1995, 165 pages

IX. OTHER FINANCIAL SUPPORT

List all project funds/equipment you have received, have applied for or intend to solicit, and their sources.
Solicitation of other grants, travel stipends, and equipment is encouraged.