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