COLLEGE OF ENGINEERING & ARCHITECTURE
UCD SCHOOL OF MECHANICAL & MATERIALS ENGINEERING
Module Code MEEN40160
Module Title Materials Thermo & Kinetics
Module Coordinator Dr. David Browne
Student Last Name
Student Firstname
Student Number
Date of Submission 28th October 2022
I declare that the material
contained in this project is
the end result of my own
work and that due
acknowledgment has been
given in the bibliography to
ALL sources, be they printed,
electronic or personal
, 1. Aims and objectives
The objective of the assignment and the report is to analyse the thermal properties of an alloy of
aluminium and copper. The thermal properties include the different phases at different temperatures
and compositions. They also include the Gibbs free energy and enthalpy of the different phases at
different conditions. The objective is to analyse how these values change with temperature and
composition and, if possible, establish a correlation between Gibbs free energy and enthalpy and the
phase in which we will encounter the alloy at some given conditions.
2. Introduction
As mentioned, we will be analysing an alloy made out of aluminium and copper. This alloy will be
studied, mainly, in the side of the composition where aluminium dominates. The limit will be where
copper constitutes 50% of the alloy.
To understand the report, it is important to be familiar with the concept eutectic alloys. These are
alloys that have a melting point lower than that any of its components. Aluminium-copper is an
example of an eutectic alloy.
Gibbs free energy is another concept to be explained. This is a potential energy that symbolizes the
maximum amount of work that a system can perform. The change in Gibbs free energy is usually
utilized, and it is defined by the equation:
𝛥𝐺 = 𝛥𝐻 − 𝑇𝛥𝑆
Where H is enthalpy, T is temperature in Kelvin and S is entropy.
3. Computational Software and Methods
To achieve the objectives stated in section 1, a computational method was run to simulate the
performance of the alloy. The software used for this purpose was ThermoCalc. This program includes
a database with a series of alloys, including the aluminium copper one we are interested in. The
database was created from experimental data.
The methodology used consisted on selecting the phase diagram binary equilibrium configuration in
Thermocalc, which redirected us to a binary calculator in which we can select any two elements
included in the database. Aluminium was selected as the main component of the alloy (for the reasons
explained earlier). After that, the phase diagram is selected as the calculation type. Stable phases are
plot only and the result is given in Figure 1.
The same is done to get the Gibbs free energy, only that the calculation type selected is not phase
diagram but Gibbs energy curves. After that, three phases are selected only: liquid, face centered cubic
(FCC) and Al2Cu. In the Y variable we can select whether to plot Gibbs free energy or enthalpy. The
results are shown in Figures 2 to 9.
The software uses the CALPHAD methodology, which is a phenomenological approach for calculating
properties of multicomponent materials systems. It uses extrapolation from the properties of pure
elements to predict the properties of different alloys.
To do this, the software also establishes Gibbs energy as well as other properties as a function of
composition and temperature. Using these properties, it is able to predict the phase in which we will
encounter the alloy at any given conditions of temperature and composition. [2]
UCD SCHOOL OF MECHANICAL & MATERIALS ENGINEERING
Module Code MEEN40160
Module Title Materials Thermo & Kinetics
Module Coordinator Dr. David Browne
Student Last Name
Student Firstname
Student Number
Date of Submission 28th October 2022
I declare that the material
contained in this project is
the end result of my own
work and that due
acknowledgment has been
given in the bibliography to
ALL sources, be they printed,
electronic or personal
, 1. Aims and objectives
The objective of the assignment and the report is to analyse the thermal properties of an alloy of
aluminium and copper. The thermal properties include the different phases at different temperatures
and compositions. They also include the Gibbs free energy and enthalpy of the different phases at
different conditions. The objective is to analyse how these values change with temperature and
composition and, if possible, establish a correlation between Gibbs free energy and enthalpy and the
phase in which we will encounter the alloy at some given conditions.
2. Introduction
As mentioned, we will be analysing an alloy made out of aluminium and copper. This alloy will be
studied, mainly, in the side of the composition where aluminium dominates. The limit will be where
copper constitutes 50% of the alloy.
To understand the report, it is important to be familiar with the concept eutectic alloys. These are
alloys that have a melting point lower than that any of its components. Aluminium-copper is an
example of an eutectic alloy.
Gibbs free energy is another concept to be explained. This is a potential energy that symbolizes the
maximum amount of work that a system can perform. The change in Gibbs free energy is usually
utilized, and it is defined by the equation:
𝛥𝐺 = 𝛥𝐻 − 𝑇𝛥𝑆
Where H is enthalpy, T is temperature in Kelvin and S is entropy.
3. Computational Software and Methods
To achieve the objectives stated in section 1, a computational method was run to simulate the
performance of the alloy. The software used for this purpose was ThermoCalc. This program includes
a database with a series of alloys, including the aluminium copper one we are interested in. The
database was created from experimental data.
The methodology used consisted on selecting the phase diagram binary equilibrium configuration in
Thermocalc, which redirected us to a binary calculator in which we can select any two elements
included in the database. Aluminium was selected as the main component of the alloy (for the reasons
explained earlier). After that, the phase diagram is selected as the calculation type. Stable phases are
plot only and the result is given in Figure 1.
The same is done to get the Gibbs free energy, only that the calculation type selected is not phase
diagram but Gibbs energy curves. After that, three phases are selected only: liquid, face centered cubic
(FCC) and Al2Cu. In the Y variable we can select whether to plot Gibbs free energy or enthalpy. The
results are shown in Figures 2 to 9.
The software uses the CALPHAD methodology, which is a phenomenological approach for calculating
properties of multicomponent materials systems. It uses extrapolation from the properties of pure
elements to predict the properties of different alloys.
To do this, the software also establishes Gibbs energy as well as other properties as a function of
composition and temperature. Using these properties, it is able to predict the phase in which we will
encounter the alloy at any given conditions of temperature and composition. [2]
