SHLUGER1 |
Going
amorphous |
Type |
Theoretical/Computational |
#students |
1 |
Orientation |
Why is the scientific problem of
interest at all? . Amorphous oxides are used in most novel electronic devices, such
as transistors, solar and fuel cells. However, disorder in amorphous
structures creates sites vulnerable to formation of structural defects, which
can affect the performance of devices. |
How |
How is the research going to shed
light on the given problem? Computer modelling provides insight into the
atomistic structure of amorphous systems, helps to find sites in these
structures where defects can be formed particularly easily, and to predict
the structure of these defects and how to eliminate them. |
What |
What is
the specific thing that the student will do, and how does it fit inside the
overall project? This
project will involve molecular dynamics simulations of amorphous structures
using existing computer codes and classical interatomic forcefields.
It will require writing additional codes for analysing the structure of
amorphous solids and determining special sites for defect creation. |
Special Knowledge |
Basic knowledge
of Linux and some programming language (Python, C, F90) is desirable, but can
be also acquired during the project. |
Supervisor |
Prof. Alexander Shluger a.shluger@ucl.ac.uk |