department of materials part ii projects 2013/2014

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DEPARTMENT OF MATERIALS PART II PROJECTS 2013/2014

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DEPARTMENT OF MATERIALS

PART II PROJECTS

2013/2014

2

UNDERGRADUATE PART II PROJECTS

The project descriptions can also be found at:

http://www.materials.ox.ac.uk/teaching/part2/pt2newprojects.html

Further projects may be publicised at a later date.

There will be an open afternoon on Tuesday 5 February 2013, with introductory talks

on Part II from the Head of Department and the Part II Co-ordinator. Attendance at

these talks is mandatory for all MS students commencing Part II in Michaelmas Term

2013.

The following staff members can be contacted, from 2.30 – 5.00 pm on the same

afternoon, either in their office or by phone to discuss the projects listed:

3

Name Room Building Tel. No.

Dr David Armstrong 15.04 21 Banbury Road 73768

Prof Fernando Audebert 110.20 21 Banbury Road 73731

Dr Hazel Assender 30.06 Hume Rothery Building 73781

Dr Simon Benjamin 195.40 12/13 Parks Road 73732

Dr Paul Bagot 20.09 Hume Rothery Building 73711

Prof Andrew Briggs 195.30 12/13 Parks Road 83336

Dr Jan Czernuszka 110.10 21 Banbury Road 71771

Dr Frank Dillon 317.10 Begbroke 83729

Dr Marina Galano 20.07 21 Banbury Road 73731

Eric Gauger 195.40 12/13 Parks Road 83341

Dr Feliciano Giustino 40.27 Rex Richards Building 12790

Prof Nicole Grobert 30.13 Holder Building 73672

Prof Chris Grovenor 30.17 Hume Rothery Building 73737

Dr Colin Johnston Begbroke 83705

Dr Antal Koos 317.10 Begbroke 83729

Dr Edward Laird Will discuss projects on 7 Feb. +31 64128749

Dr Kanad Mallik 40.03 Engineering & Techology Bldg. 83097

Prof. James Marrow 110.10 21 Banbury Road 73938

Laura Miranda-Perez 317.10 Begbroke 83729

Dr Michael Moody 179.30 Hume Rothery Building 73693

Prof Peter Nellist 154.30 Holder Building 73656

Dr Rebecca Nicholls 30.23 Holder Building 73707

Dr Keyna O’Reilly 10.02 21 Banbury Road 73743

Dr. Kyriakos Porfyrakis 30.12 12/13 Parks Road 73724

Prof. Steve Roberts 10.16 21 Banbury Road 73775

Dr Jason Smith 30.10 12/13 Parks Road 73780

Dr Susie Speller 20.05 21 Banbury Road 73734

Dr Kumar Sundaram 110.08 21 Banbury Road 73778

Dr Ed Tarleton 110.15 21 Banbury Road 73768

Prof Richard Todd 40.23 Engineering & Techology Bldg. 73718

Dr Jamie Warner 20.03 12/13 Parks Road 73790

Prof Angus Wilkinson 10.19 21 Banbury Road 73792

Dr Peter Wilshaw 50.15 Engineering & Techology Bldg. 73736

Dr Jonathan Yates 40.17 Rex Richards Building 12797

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Dr Robin Young 10.02A Begbroke 83723

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Fundamentals of Creep in ODS Steels

David Armstrong/Angus Wilkinson

Oxide dispersion strengthened (ODS) steels are regarded as critical materials for

high temperature applications in future advanced nuclear fission and fusion reactors,

where they will be subjected to high levels of neutron irradiation damage. While

much work has been carried out assessing the static mechanical properties of these

materials in both the irradiated and unirradiated conditions there is little data on the

creep performance of these materials after irradiation, and how specific

microstructural features control the creep mechanisms. In this project Ion irradiation

will be used to mimic neutron damage and then nanoindentation used to measure

creep parameters in both irradiated and unirradiated materials. The deformation

structures will then be studied using SEM and EBSD.

Characterization of gas-barrier polymer films

Hazel Assender

The wider exploitation of polymer electronics e.g. PV, or flexible displays, is limited

by the performance of transparent flexible gas barrier materials to exclude water

vapour from the sensitive device materials. The part II project will be focused on

characterization of what limits the performance of the best films by use of the ‘Ca

test method’ by observing the microstructure of the features that develop as a thin

layer of Ca reacts with water vapour which passes through micro- and nano-scale

holes in the barrier material.

Polymer surface crystallization

Hazel Assender

We have demonstrated that in the more-mobile surface region of a polymer, it is

possible to induce surface-specific crystallization by annealing at temperatures

slightly below the bulk crystallization temperature. Thin-film crystallization has

previously been reported in the literature in a number of polymers, and this project

will seek to revisit these materials to demonstrate whether the particular

morphologies observed previously are associated with crystallization of this more-

mobile surface region.

Humidity and temperature sensors using low-cost manufacturing methods

Hazel Assender

Simple electronic devices are now being developed based on organic materials that

can be deposited using roll-to-roll (R2R) manufacture, allowing for large numbers to

be produced very cheaply. The project seeks to exploit some materials’ sensitivity to

moisture and temperature to build simple sensor devices suitable for R2R

processing that might be incorporated, for example, into packaging.

Atomic-scale Characterization of Catalytic Alloys

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Paul Bagot/Michael Moody

Catalysts in fuel-cells/automobile exhausts rely on expensive metals including Pt,

Rh, Ru and Pd. The surface structure and composition of these alloys can alter

markedly under high temperature operation, which is still not fully understood. This

project will use Field Ion Microscopy (FIM) and Atom Probe Tomography (APT) to

investigate structural/chemical changes to catalyst alloys following exposure to

realistic operating environments. The student will also be involved in cutting-edge

developments to look at individual catalyst nanoparticles (in collaboration with Univ.

Bath).

High-temperature oxidation of Nickel-superalloys

Paul Bagot/Michael Moody

Nickel-based superalloys operate in extreme environments such as gas turbines for

aerospace/power generation and in racing automobile exhausts. The oxidation

behaviour of these alloys is complex, and understanding this is the key to pushing

them to operate at higher temperatures for future high-efficiency engines. This

project will use Atom Probe Tomography (APT) and complementary electron

microscopy (SEM/TEM/EDX) to characterize the kinetics of early-stage oxidation and

identify possible failure sites in a series of nickel-superalloys.

Energy transfer and distribution in quantum nanostructures

Simon Benjamin/Erik Gauger

Energy transfer through molecular networks occurs as an early step in the process of

photosynthesis. Efficient energy transfer and distribution will also play a crucial role

for next generations technologies ranging from light harvesting to molecular

electronics and devices. However, the physical mechanisms underlying this process

are not yet properly understood. This project is concerned with developing suitable

techniques for investigating energy transfer in quantum nanostructures.

This project would be suitable for a student with exceptional mathematical talent and

/ or an interest in developing code for large parallel computer clusters.

Spatially controlled self expanding tissue expanders

Jan Czernuszka

Hydrogel systems have been developed that can expand uniaxially. The swelling

ratio and direction of swelling can be controlled via thermo-mechanical treatments.

The aim of this project is to manufacture a device with different expansion properties

within the same device. The work will involve materials processing, mechanical

testing and characterisation of these polymer hydrogel based systems

Scaffolds for neurons

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Jan Czernuszka

As part of a collaborative project with colleagues in DPAG we are developing

scaffolds to help tissue engineer neuronal networks. The ultimate aim is to repair

neurodegenerative diseases. The project will involve processing of scaffolds based

on GAGs and PGs. This is a new area for tissue engineering

An injectable bone augmentation system

Jan Czernuszka

Bone is second only to blood in the needs of surgeons. This project will develop an

injectable system based on ECMs and calcium phosphates as a delivery vehicle for

orthobiologics. The initial rheology and how this varies with time in the body is

important as is the release profile of the eluting components. The project will also

involve extensive characterisation of the system using SEM, XRD, FTIR and DSC.

Development of aluminium matrix nanocomposites

Marina Galano/Fernando Audebert

This project is based on the development of novel Aluminium Matrix Complex

Nanocomposites with combinations of reinforcement strategies at the nanoscale that

offer unique properties to target specific applications with an enhancement of

combined properties e.g. increase thermal stability, ductility, strength and Young’s

modulus. New materials will be used as nanoreinforcements or plasticizers for

improving targeted properties

A detailed study on the processing and the mechanisms responsible for

microstructural stability and mechanical properties is required to develop these new

Al matrix complex nanocomposites and to provide a platform of knowledge for

designing the right material for each application.

Materials will be manufactured by a powder metallurgy route and microstructural and

mechanical properties characterization will be carried out.

Manufacturing and characterization of new light weight alloys

Marina Galano/Fernando Audebert

The design of new light weight materials (Al and Mg based) is of extreme importance

to industry due to the constant need to develop materials that combine high strength

and light weight.

This project is going to be based on the development of new alloys systems by

means of diverse rapid solidification techniques. These rapid solidification

techniques allow obtaining microstructures that combine several stable and

metastable phases such as amorphous, quasicrystalline and crystalline phases.

Materials are going to be characterised by X- Ray analysis, calorimetry and electron

microscopy techniques. The evolution of the microstructure is going to be studied by

means of heat treatments, structural characterisation and microhardness in order to

understand the phase transformations

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Atomic-scale computational design of two-dimensional transition-metal

chalcogenide nano-superlattices

Feliciano Giustino

In the very same scientific work that initiated graphene research [KS Novoselov et al,

PNAS 102, 10451 (2005)] it was shown that it is possible to produce many two-

dimensional atomic crystals by mechanical exfoliation, for example MoS2, NbSe and

BN. While during the first few years of graphene research the attention was focused

entirely on graphene and its modifications, more recently the attention has been

shifting towards other promising 2D crystals. For example last year the the first

transistor with a monolayer-thick MoS2 channel was reported [B. Radisavljevic et al,

Nature Nanotech. 6, 147 (2011)]. The next step in the world of 2D electronics and

photonics is to ask what would happen if we could combine together different 2D

crystals in various nanoscale stacking arrangements. For example by stacking

metallic and insulating nanosheets [S. J. Haigh et al, Nature Mater. 11, 764 (2012)] it

could be possible to form nanoscale Schottcky contacts for photovoltaics or sensing.

In this project we will proceed to explore the electronic and optical properties of

various combinations of transition-metal chalcogenide nano-superlattices using

density-functional theory calculations. We will investigate how band structures,

effective masses, and optical absorption are modified when 2D crystals of transition

metal chalcogenides (TMC) are stacked in various arrangements. The goal of this

project is to identify design rules for TMC nano-superlattices using atomic-scale

computational design. This project requires a good understanding of quantum

mechanics and solid state physics, willingness to learn Unix shell scripting and some

Fortran programming, and will involve the use of the high-performance computing

clusters in the MML.

Graphene and boron nitride lateral heterostructures

Antal Koos/Nicole Grobert

Recent advances in CVD methods have enabled the production of graphene and

hexagonal boron nitride, but controlled fabrication of heterostructures in these

systems has not been achieved. Graphene/h-BN interfaces are of particular interest,

because areas of different atomic compositions may coexist and the bandgap can be

engineered. The aim of the project is to develop a CVD process that allows for the

spatially controlled synthesis of lateral junctions between electrically conductive

graphene and insulating h-BN. It is envisaged to publish the findings in a peer

reviewed journal and conference participation will be encouraged.

Fast and facile synthesis of nanoparticles with dedicated functionalities

Frank Dillon/Nicole Grobert

The synthesis of monodisperse nanoparticles of transition metal oxides is of great

interest since they display an extensive assortment of structures, properties, and

phenomena. A multitude of procedures have been developed for their synthesis,

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unfortunately most are relatively expensive and time consuming. Recently, new

techniques for the precise structural control of these nanoparticles were developed in

house. The aim of this project is to synthesise and characterise a range of transition

metal /metal oxide nanoparticles using this fast and inexpensive method. The shape

and size of the particles will be systematically varied to determine their effect on

functionality. It is expected that the findings will be published in a peer reviewed

journal and conference participation will be encouraged. It is envisaged to publish

the findings in a peer reviewed journal and conference participation will be

encouraged.

Novel catalysts for the growth of coiled carbon nanotubes

Frank Dillon/Nicole Grobert

The unique 3D structure and resultant properties of coiled carbon nanotubes (CCNT)

have led many researchers to consider their use for various applications ranging

from ‘nano-springs’ to novel reinforcements for composites. However, the synthesis

of CCNTs in high yield with control over coil morphology remains a massive

challenge. The aim of this project is to investigate various chemical vapour

deposition synthesis routes for CCNT. The effect of temperature, time and gas

mixtures on the morphology, yield and purity of the CCNTs produced will be

revealed. It is envisaged to publish the findings in a peer reviewed journal and

conference participation will be encouraged.

Ultra strong and ultra light carbon nanotube inorganic composite materials

Richard Todd/Laura Miranda/Nicole Grobert

In recent years, carbon nanotubes (CNTs) have been heralded as the ultimate

reinforcement material for ultra strong and ultra light organic and inorganic

composite materials. However, research on CNT composites has been hindered by

the fact that commercially available CNTs are often tightly agglomerated and hence

require sophisticated dispersion techniques to detangle them before they can be

employed as fillers or reinforcements. Recent developments in the production and up

scaling of nanotubes in Oxford have paved the way towards the successful

exploitation of CNT properties for the generation of multifunctional CNT composite

materials. This project will be part of a larger research activity and will produce and

characterise novel inorganic composites using various types of in-house generated

CNTs to move further towards materials with genuinely outstanding properties. It is

envisaged to publish the findings in a peer reviewed journal and conference

participation will be encouraged.

Novel routes to manufacturing layered inorganic nanomaterials

Frank Dillon/Nicole Grobert

Carbon nanotubes, have attracted increasingly more attention due to their

outstanding properties in recent years. Concurrently, other 1D nanomaterials such

as, inorganic nanowires and nanotubes of other layered materials, such as MoS2,

WS2, BN, have been explored. Recently, new techniques for the precise structural

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control of WS2 nanomaterials were developed in house. Larger laboratory scale

production, however, is still scarce and needs to be developed in order to make

these novel nanomaterials viable for further characterisation, manipulation and

application. This project will be focusing on the development of novel routes to

inorganic 1D nanomaterials using chemical vapour deposition techniques. In this

project the student will work closely with other members of the group and the

samples produced by the student will be an integral part of a collaborative project

with Dr Michael B Johnston (Department of Physics) and Dr Kylie Vincent

(Department of Chemistry). It is envisaged to publish the findings in a peer reviewed

journal and conference participation will be encouraged.

NanoAg bonding

Colin Johnston

Increasingly electronics are being required to operate at higher temperatures where

conventional interconnect technologies fail. In recent years nanoparticulate silver

has been demonstrated as a candidate for joining electronic components. The

nanosized material “melts” or sinters at relatively low temperature but has a high

reflow temperature. The exact mechanisms involved in this sintering are poorly

understood. This project will explore the processing space and use high

temperature microscopic imaging to investigate the sintering process.

Tin whisker formation

Colin Johnston

Lead free solders, usually based around high tin alloys are now the dominant solder

material. However, under certain conditions, for example under mechanical strain or

in high temperature variations, tin whiskers can grow and cause electrical shorts.

This project will investigate tin whisker formation as a function of mechanical strain

and temperature with in situ microscopic imaging to better understand the growth

mechanisms and propose methods for mitigation.

Carbon nanotube fabrication for quantum devices

Edward Laird / Andrew Briggs

Carbon nanotubes are attractive materials for electronic devices, especially quantum

computers, but a central challenge is avoiding contamination during fabrication. You

will develop the new technology of stamping, in which a single pristine nanotube is

placed over a prefabricated device. The goal is devices in which the same nanotube

can be measured both electrically and through TEM imaging. This will involve

training in nanofabrication, electron microscopy, and low-temperature

measurements.

Three-Dimensional Studies of Damage by X-ray Tomography

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James Marrow

We will study the development of damage (yielding and crack initiation) in

engineering materials, such as ceramic matrix composites, metal matrix composites,

ODS steels, nuclear graphite and concrete, mapping displacements and strains in

3D by digital image correlation of high-resolution X-ray computed tomography data.

We aim to understand the effect of microstructure on criteria for deformation and

failure initiation. This is in support of international collaborations on Generation IV

nuclear fission materials.

Effects of multi-axial loading on short crack propagation in engineering

materials

James Marrow

We will study the propagation of small crack-like defects in 3D, under displacement

controlled uniaxial flexure (3-point bend) and equi-biaxial flexure (ball-on-ball

loading). Displacements around the crack front in model and engineering materials,

under different levels of constraint by multi-axial loading, will be studied at high

resolution using techniques including X-ray tomography and image correlation. This

supports the development of miniature specimens to study the effects of extreme

environments on nuclear materials.

Novel techniques to measure strain-hardening in nuclear materials by nano--

indentation testing and 3D modelling

James Marrow

Ion-irradiation may simulate neutron irradiation in advanced nuclear fission and

fusion materials, but the irradiated volumes are too small to obtain strain hardening

behaviour by experiment. X-ray computed nano-tomography, combined with image

correlation, measures the plastic zone under nano-indents in ODS steels, and may

be applied to irradiated samples, tested at elevated temperatures. Via experiments

on ODS steel and model materials, you will develop finite element modelling

methods to extract the strain hardening properties.

Atom Probe Investigation of Thermal Ageing on the Microstructure and

Properties of 17-4 PH Steel

Michael Moody/Paul Bagot

17-4 PH steels are used for structural components in aerospace and nuclear reactor

applications. Unfortunately, during service, properties can change. At elevated

temperatures, additional copper precipitation can occur and the ferrite can undergo a

spinodal decomposition to α and chromium-rich α’ (sometimes called 475 °C

embrittlement). These changes increase strength and hardness at the expense of

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embrittling the steel. Such changes are time and temperature dependent and can

also be accelerated by fast neutron fluxes in nuclear applications.

The project will carry out series of precipitation hardening treatments, at different

times and temperatures, on solution annealed material. The 3D atom-by-atom

analyses provided by atom probe tomography will further understanding of the

effects of copper precipitate size and number density on mechanical properties. A

selected sub-set will then be thermally aged to determine the in-service changes and

their interaction with the original microstructure. A model will be developed to predict

mechanical properties. The project will be undertaken in collaboration with Rolls

Royce.

Detection of single energetic ion tracks by photoresist polymers and AFM

imaging

S Myhra/N Falzone/Chris Grovenor

A joint project undertaken by a group at the Churchill Hospital and the Department of

Materials has been exploring a novel method for the detection of single energetic ion

tracks for possible applications in fields ranging from archeometry to targeted cancer

therapy with radioactive drugs. Preliminary results from a related project obtained in

a previous Part II (G. Royle, 2012) were promising in terms of the sensitivity and

spatial resolution of the technique. This follow-on project will develop a better

understanding of the physics and chemistry of the interactions of energetic ions with

photoresist polymers and biological materials.

Electron microscopy characterisation of nanoparticle composition or

morphology changes in catalyst materials

Pete Nellist (co-supervised by Dr Dogan Ozkaya of Johnson-Matthey)

Many heterogeneous catalyst systems (such as those used in automotive exhausts

or hydrogen fuel cells) consist of metal nanoparticles on carbon or oxide supports.

Often, these nanoparticles can change composition or morphology during use. The

aim of this project is to use quantitative electron microscope techniques at nanoscale

spatial resolution to make quantitative measurements of these changes. This project

will involve both experiments using the electron microscopes in the department along

with sophisticated data processing methods.

Modelling of 2D nanomaterials

Rebecca Nicholls/Jonathan Yates

Two dimensional inorganic materials (eg MoS2, WS2) are of great interest due to

their potential applications in areas such as nanoelectronics. The controlled

introduction of defects into these materials enables control of their electronic

properties; an essential step towards the realization of practical devices. This project

will use quantum mechanical simulations and high-performance computing to model

these materials with the aim of guiding on-going experimental work in the

department.

13

Nucleation and growth of intermetallic phases in Al alloys

Keyna O’Reilly/Kumar Sundaram

Intermetallic phases such as Al-Fe compounds and Al-Fe-Si compounds form in all

Al alloys and have a significant effect on the mechanical properties and

processability of the alloys. Historically the morphology of these intermetallics has

been studied using conventional metallography which only presents a 2D slice

through the material. More recently, we have been investigating the 3D structure of

these intermetallics by dissolving away all of the Al matrix and collecting the resulting

intermetallics for viewing in the SEM. So far we have revealed the morphologies of

intermetllics in 1xxx series and 6xxx series alloys, and they are vastly different from

one another. 6xxx series alloys have a highly connected 3D structure containing

complex morphologies, whereas 1xxx series alloys typically contain spherical

clusters and needles. This project will investigate the morphologies found in other

industrially relevant Al alloys and determine what it is about the nucleation and

growth mechanisms operating which is determining which structure forms.

Functional intermetallic particles?

Keyna O’Reilly/Kumar Sundaram

Intermetallic phases such as Al-Fe compounds and Al-Fe-Si compounds form in all

Al alloys. We now have the ability to dissolve away the Al matrix of the alloy and to

collect these intermetallics. The intermetallics can have different morphologies,

including fine-scale spherical clusters and needles. In other materials and chemical

systems it has been shown that many nano-particles have special properties. This

project will investigate whether intermetallics formed in Al alloys could be used to

provide specialist functionality. Additions of transition elements such as V and Mo

have been seen to influence the morphology of the intermetallics, and this may well

be true of other transition elements. This project will use a combination of additions

of transition metals and the use of rapid solidification to produce very fine scale

intermetallics which will then be extracted from the matrix and their functionality

investigated.

Control of iron rich intermetallics (dross): nucleation and growth during hot

dip galvanizing of steel sheet

Keyna O’Reilly/Kumar SundaramA number of different galvanic coatings can be applied to sheet steel by hot dipping.

The 55Al-Zn coating has two principal phases in its microstructure. One phase is the

primary aluminium-rich dendritic phase that begins to grow initially during

solidification. The other is an inter-dendritic zinc-rich region that forms when the zinc

concentration in the solidifying liquid reaches a higher level. . Other phases in the

microstructure of the coating layer include small discrete particles of elemental

silicon, and an iron-rich phase which results because the coating bath becomes

14

saturated with iron during the production process. Saturation of iron in the bath

results in the precipitation of a dross in the liquid metal. The dross gradually sinks

and deposits at the bottom of the bath. Once a significant amount of bottom dross is

accumulated, turbulence can dislodge particles of the accumulated dross and bring it

into contact with the steel strip causing quality and maintenance issues. A new

method has been proposed for the removal of the dross by introducing a

recirculatory loop in the process which continuously cycles a proportion of the molten

zinc through a treatment cell to remove the dross. This project will investigate

processes which could be employed within the treatment cell for the effective

removal of dross.

In collaboration with N-Tec and of interest to Bluescope Steel, Corus and Wheeling

Nisshin.

Molecular Machines with Fullerene Derivatives

Kyriakos Porfyrakis

The project involves the synthesis of fullerene derivatives that will have specific

functionality. Well known reaction methods will be used to anchor functional groups

on the fullerene cage. The functionalized fullerenes could be used as a thread and

axle component for potential anion templated rotaxane synthesis. For this reason,

we will collaborate with the group of Prof. P.D. Beer in the Chemistry Department,

who has vast expertise in the synthesis of interlocked molecular architectures.

Synthesis of N@C60 Derivatives for Quantum information Processing

Kyriakos Porfyrakis

N@C60 is a remarkable molecule with the longest electron spin coherence time (T2)

ever recorded for a molecular system. In order to use this molecule as a qubit for a

quantum computer, it is necessary to be able to create building blocks with multi-

qubit arrays. As a first step, the project involves the synthesis and purification of

N@C60. The second step involves the chemical modification of this endohedral

fullerene in a way that gives it functionality for the development of dimer and

oligomer molecules.

Synthesis of Fullerene-based, Donor-Acceptor Dyads

Kyriakos Porfyrakis

Fullerenes have excellent electron affinity and are frequently used as electron

acceptors in donor-acceptor linked systems (dyads). The project involves the

chemical synthesis of dyads made of fullerenes and donor molecules such as

porphyrins. The formed dyads are expected to have long-lived charge separated

state with high quantum efficiency. The dyads will be characterized by mass-

spectrometry, UV-Vis-NIR, FTIR and ESR spectroscopies. Such systems are

attractive for solar-energy conversion systems.

Master Thesis/Diplomarbeit

15

Structural characterization in Cr/Cu (or Cu/W or Ti/W) nanocomposite prepared

by high pressure torsion (HPT) using advanced TEM techniques

Steve Roberts

Immiscible binary system, such Cu/Cr and Cu/W, can be transformed to

nanocomposites and become partly miscible by sever plastic deformation.

In this project, nanocomposites will be produced by HPT method. Mechanical

properties, such as hardness and tensile strength, will be measured. The nano-

structure of these nanocomposites will be intensively characterized using TEM,

HRTEM and analytical TEM. The majority of work in this project will be chemical

composition measurement using energy dispersive X-ray spectroscopy (EDXS) or

electron energy loss spectroscopy (EELS) techniques in order to get chemistry

profile across the grain boundary by quantifying the numerous EELS and EDXS

spectrum-images. The goal is to understand better the development of

supersaturated solid solutions during plastic deformation. Ensuing structural study

will be achieved by HRTEM and TEM. The overview morphology of nanocomposite

will be also studied by SEM.

Supervisors:

Dr. Zaoli Zhang Prof. Reinhard Pippan

Erich Schmid Institute of Materials

Science

Austrian Academy of Sciences

Erich Schmid Institute of Materials

Science

Austrian Academy of Sciences

Institute of Material Physics, Univ. Leoben

Jahnstraße 12 Jahnstraße 12

8700 Leoben 8700 Leoben

Austria Austria

Tel: +43 3842 804 311 Tel: +43 3842 804 308

E-mail: [email protected] E-mail: [email protected]

Master Thesis/Diplomarbeit

Temperature effects on the mechanical behavior of thin films on flexible

substrates

Steve Roberts

To advance the flexible electronic technology understanding, the research of thin film

systems like metal films on polymer substrates is very important. The main goal is to

assess the mechanical behavior in order to predict the lifetime of such materials

depending on applied load, film thickness and also the operating temperatures. In

this study, as-deposited copper films on polymer substrates will be examined at

elevated temperatures. Films of different thickness (50-500nm) will be strained at

two difference temperatures (150°C and 350°C) to determine the influence of the

temperature, film thickness and substrate on the fracture and deformation behavior

as measured with the localized deformation spacing. At these temperatures, Cu may

have enough energy to cause grain growth or stress induced grain growth with

straining and thus will also be evaluated. With increasing film thickness, the localized

deformation increases and the probability of film delamination decreases. This

16

behavior is due to the influence of the interface structure which becomes dominant

as the film thickness decreases. Comparison of the films strained at elevated

temperatures to room temperatures will be made and the role of temperature,

thickness, and grain size determined.

Supervisor Leoben:M.J. Cordill Reinhard Pippan

Erich Schmid Institute of Materials ScienceAustrian Academy of Sciences

Erich Schmid Institute of MaterialsScienceAustrian Academy of SciencesInstitute of Material Physics, Univ.Leoben

Jahnstraße 12 Jahnstraße 12

8700 Leoben 8700 Leoben

Austria Austria

Tel: +43 3842 804 311 Tel: +43 3842 804 308

[email protected]:[email protected]

Details: High Temperature experiments – Cu/PI

a) 50, 100, 200, 500 nm Cu on PI

b) Characterize unstrained & strained films: SEM, EBSD, AFM, TEM?

c) Strain films (and bare substrates) at 150°C and 350°C with Zwick (with

vacuum and lead cell)

d) Measure deformation spacing using necks and cracks, thickness, t

temperatures effects, and the role of grain size on deformation

e) TEM cross-sections - change in interface structure (with MJC and ZZ?).

Properties of irradiated Silicon Carbide

David Armstrong/Richard Todd/Steve Roberts

Silicon carbide has been identified as a key material for high temperature

applications in both advanced fission and fusion power plants. However in these

applications the SiC will undergo significant microstructural and chemical changes

due to neutron irradiation. In particular the transmutation of carbon into helium could

result in He levels of up to 10,000appm/year.

This project will use heavy ion and helium ion implantation (at the National Ion beam

Centre, University of Surrey ) to mimic radiation damage in SiC. This produces an

implanted layer on the order of 3µm thick and to study its mechanical properties

nanoindentation, SEM, AFM and Raman microscopy will be used. The changes in

mechanical properties will be related back to microstructure and damage level to

gain a better understanding of the influences of neutron damage and helium

production on the mechanical properties of SiC.:

17

Modelling Micromechanics of irradiated materials

Ed Tarleton/Steve Roberts

Small-scale mechanical testing techniques are currently being developed and used

in Oxford and elsewhere for the study of thin ion-irradiated layers (ion irradiation is

an analogue for neutron damage as produced in fusion and fission reactors). This

project will involve modelling micro-pillar tests on irradiated materials conducted by

researchers in Oxford.

The student will first learn the principles of dislocation modelling and finite element

analysis before learning how to run simulations, using a coupled 2D discrete

dislocation dynamics + finite element code, already developed in Matlab. Simulations

for different specimen sizes and different material properties will be set up and the

results will be compared with the experimental load-displacement curves. There may

also be the opportunity to develop the model further to include effects such as

dislocation pinning at obstacles.

The results will give a deeper understanding of micron-scale plasticity and should

show the possibilities and limits of 2-D DDD simulations for studying such problems.

The student will gain knowledge of two different modelling techniques (dislocation

dynamics and FEM) as well as learning how to use Matlab.

Optical and magnetic characterisation of colour centres in diamond

Jason Smith

Diamond and its crystal defects provide an extremely attractive platform for a variety

of applications, from biosensing and nano-magnetometry to quantum information

processing. Despite enormous progress in recent years in the synthesis of diamond,

many of the defects observed have yet to be well characterised. In particular the

negatively charged nitrogen-vacancy centre (NV-) remains the only defect that is

known to possess optical transitions that are sensitive to the spin state of the

electrons in the defect, key to a number of advanced applications. This project will

involve the optical and spin resonance characterisation of defects in diamond, and

the application of these defects to nano-scale magnetic field sensing. You will be

trained in a range of spectroscopic techniques and will be part of a small but

dynamic team working on this topic. The project will involve communication with

industrial collaborators including DeBeers and Element Six Ltd.

Spectroscopy of light harvesting molecules using resonant optical

microcavities

Jason Smith

This project will involve the optical spectroscopy of photosynthetic molecules as a

means to understanding in detail the multi-stage energy transfer processes that are

crucial to their effectiveness as light harvesters. You will use a range of

spectroscopic methods for this study, including novel techniques being developed in

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the group in which the molecules are placed in resonant optical microcavities that

modify their fluorescent properties. The project is part of a larger research project

being carried out in collaboration with Prof Robert Taylor in the Department of

Physics, funded by the Martin School Oxford.

Semiconductor Nanocrystal lasers

Jason Smith

Semiconductor nanocrystal quantum dots offer potential for development of printable

optical gain media that can be used in optical amplifiers and lasers, but there are

several outstanding challenges to be addressed. This project will involve fabricating

devices that allow lasing experiments to be performed in a controlled way, and using

them to establish information that will feed into the design of improved materials. You

will be trained in a range of optical spectroscopy techniques, and will work in a small

team within the group focused on this topic, and which interfaces with both academic

and industrial collaborators regarding the design and synthesis of materials. The

project is supported by Samsung Electronics.

Microstructural characterisation of high temperature superconducting bulk

materials

Susie Speller

The (RE)BCO (RE = Y, Nd, Sm, Gd, etc.) family of bulk, melt processed high

temperature superconductors (HTS) is the subject of extensive world-wide

developmental research because the very high magnetic fields that can be trapped

in these materials make them suitable for a wide range of applications

(http://www.youtube.com/watch?v=heauu4Um5b4). This project will use EBSD and

EDX analysis to investigate the microstructure of state-of-the-art melt processed

bulks produced by Prof. David Cardwell’s group (Cambridge University Engineering

Dept).

Investigation of phase separation phenomena in novel superconductor and

topological insulator single crystals

Susie Speller

Single crystal samples are typically used to investigate the magnetic and electronic

properties of novel device materials. This project involves using SEM/EDX and AFM

to develop a better understanding of the phase separation phenomena that influence

their properties. The materials studied will include Fe-based superconductors and

topological insulators, both of which are considered to be “hot topics” in condensed

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matter physics. Samples will be grown by collaborators in the Physics Department

and at PSI*.

*Paul Scherrer Institute, Switzerland.

Flash sintering of ceramics

Richard Todd/Peter Wilshaw/T. Rodriguez Suarez

Normally, it takes several hours at a temperature well in excess of 1000 C to sinter a

structural ceramic. However, it has recently been discovered that ceramics can be

sintered in a few seconds with furnace temperatures below 1000C by applying a

voltage to the specimen whilst it is heated. We have repeated the result and it seems

to occur due to a thermal runaway effect in which the current and specimen

temperature rapidly increase within a few seconds, also causing the specimen to

sinter. The aim is to answer some of the many questions that have arisen concerning

the science and practical use of this new phenomenon.

Synthetic Graphene for Electronic Applications

Jamie Warner

The 2D crystalline nature of graphene makes it suitable for large area transparent

conducting electrodes and in nanoelectronics. The biggest challenge in synthetic

graphene is achieving large single crystals of graphene and uniformity in the layer

number on the centimeter scale. We have recently shown how chemical vapour

deposition (CVD) can be used to grow centimeter scale continuous films of pure

monolayer graphene with graphene crystal grain sizes approaching the millimeter

scale. This project will extend this body of work to focus on understanding the growth

mechanisms behind CVD grown graphene and then developing approaches to

improve the atomic structure and electronic properties. Techniques to transfer the

sheets to transparent substrates, such as glass or flexible polymers will be examined

and the sheet resistance determined. Nanoelectronic devices such as field effect

transistors and Hall bar structures will be fabricated using lithography in order to

evaluate the electronic properties of the synthetic graphene. The material produced

in this project will underpin a wide range of applications based on graphene and has

the potential for significant impact.

Sensor Technology Based on Large Area Synthetic Graphene

Jamie Warner

Sensor technology, such as touch screen displays and pressure/strain sensors, will

be developed using graphene. The graphene will be synthetic and of large area,

produced using metal catalyst assisted chemical vapour deposition. Processing

methods for transferring the graphene onto transparent flexible polymer substrates

will be developed. This project aims at bringing graphene into application and will

utilize recent advances within the group for producing outstanding synthetic

graphene material. Optical and electron beam lithography will be used to pattern the

graphene and metal electrodes for devices. Interfacing with computer hardware will

be undertaken to achieve functioning sensor technology.

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Graphene-nanocrystal solar cells (Jamie Warner and Andrew Watt)

Jamie Warner/Andrew Watt

Utilizing graphene in opto-electronic devices will require the effective integration of

other nanomaterials to produce hybrid nanosystems. Inorganic nanocrystals such as

PbS, ZnSe, TiO2 and Si, have unique semiconducting properties with band gaps that

span from the near-IR to UV. This project will focus on synthesizing novel inorganic

nanocrystals using solution-phase chemistry. Control over the shape to tailor

spherical, rod and branched structures will be investigated. Variation of surface state

morphology will be conducted through various chemical approaches to control the

inter-nanocrystal interactions. Synthetic graphene will be produced using chemical

vapour deposition. Composite hybrid devices will be fabricated that use synthetic

graphene as a working transparent conducting electrode and the inorganic

nanocrystal as the active functional nanomaterial. Viability in solar cells will be

explored.

Effects of dilute alloying on the types and properties of grain boundaries in

copper

David Armstrong/Angus Wilkinson,

During the course of our work on grain boundary embrittlement of Cu by small

Bi(0.02wt%) additions we have noted that coherent twin boundaries are almost

entirely suppressed in the cast alloy even though they are low energy and prevalent

in pure Cu. The effects on mechanical properties are similarly profound. This

project will explore the extent to which other low melting point, low symmetry metallic

alloying additions (eg Sb, Sn, In, Ga) affect the statistics of grain boundary types and

properties in Cu. These will be studied by a combination of bend testing,

nanoindentation and EBSD.

[Micro-mechanical measurements of fracture toughness of bismuth embrittled copper

grain boundaries, DEJ Armstrong, AJ Wilkinson, and SG Roberts, Philosophical

Magazine Letters, (2011) vol. 91, 394-400]

What does Peening Really do?

Angus Wilkinson

Peening introduces a surface layer of highly deformed material and used in many

industries as a means of inhibiting crack formation though fatigue, fretting, and/or

stress corrosion. The deformation process is known to introduce residual stresses

that are on the average compressive near the surface, and work hardens the metal

to increase flow stress. This project will study peened Ti-alloy and use

nanoindentation to assess near surface hardening, and high resolution EBSD

mapping to assess dislocation content and local stress variations at the sub-grain

level. The project will involve interaction with Rolls-Royce.

Template Matching – Delivering a Step Change in EBSD Analysis

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Angus Wilkinson/Ben Britton*

Automated analysis of electron backscatter diffraction (EBSD) patterns for crystal

phase and orientation has remained largely unchanged over the last two decades (ie

your lifetime!). This project will develop a new approach based upon template

matching, where experimental patterns are compared to a library of simulated

patterns, which represent potential phases and crystal orientations present in the

sample. Pattern simulation code is available and the project will centre on developing

the automated image analysis procedures needed to make reliable, rapid and

quantitative identification of the simulation that best fits the observed pattern. We will

look at important materials systems which conventional EBSD struggles to correctly

analyse due to small (few percent) tetragonal distortions from cubic symmetry (eg

martensite, barium titanate - piezoelectric, Cu(In,Ga)Se2 –solar cells, Fe-based

superconductors)

(* Imperial College London)

Passivation of semiconductor surfaces for high efficiency solar cells

Peter Wilshaw

Carrier recombination at surfaces and interfaces in solar cells reduces their

efficiency. For future generations of high efficiency solar cells it is essential that

cheap techniques are found for producing semiconductor/dielectric interfaces with

very low recombination. There are two possible elements to this project. The first is

to apply techniques we have already successfully developed for high quality thermal

oxide to cheaper oxides more suitable for use in solar cells (plasma enhanced

chemical vapour deposition oxide!). The aim will be to determine the optimum

processing conditions and the long term stability of the effect. This process is called

passivation. The student performing the work will be involved in deposition of the

dielectrics using semiconductor facilities, characterisation of their properties using

sophisticated electronic techniques and then modification by charge deposition and

further testing. The second aspect is the development of a new measuring technique

for minority carrier lifetimes in semiconductors. This technique is becoming

increasingly necessary as the amount of surface recombination is reduced. This

project would suit a student who is interested in electronics and simple computer

programming and the building of precision equipment. Any interested student should

choose either the passivation part OR the new measurement technique part. It will

not be possible for a single student to do both.

Control of impurity defect interactions for cheaper silicon solar cells

Peter Wilshaw

Most of the silicon used for silicon solar cells (the dominant technology) comes in the

form of multi-crystalline wafers sliced from ingots of cast silicon. This material

contains relatively high concentrations of metallic impurities, dislocations and grain

boundaries, all of which enhance electron-hole recombination and hence reduce

solar cell efficiency. This project aims to develop a range of novel ideas originating

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from the Semiconductor Group in Oxford. The research will be performed performed

in collaboration with leading suppliers of silicon to the photovoltaic industry and will

involve some work in a semiconductor clean room.

The production of semi-insulating silicon

Peter Wilshaw/Kanad Mallik

This project will provide an opportunity to research the making of semi-insulating

(resistivity of 10-300kohm-cm) silicon-on-insulator (SOI) substrates grown by the

Czochralski technique for microwave monolithic integrated circuits (MMIC). This has

been identified as a novel substrate material in the ITRS Roadmap and has the

potential to bring about a paradigm shift in the semiconductor industry.

Structure Property Relationships in Superengineering Polymers

Robin Young

High performance “super engineering” polymers are becoming invaluable in a range

of demanding applications such as in the aerospace and biomedical sectors.

Standard PEEK (poly ether ether ketone) and PEKK (poly ether ketone ketone) are

commercially available from a number of sources. The project will compare the

physical, mechanical and thermal properties of a range of Ketonex’s polymers to

commercially available materials such as Victrex®PEEK™, PEKK and Ultem® (poly

ether imide). A vital aspect will be the measurement of the melt stability of the

materials at processing temperatures. A range of analytical techniques will be used,

to include DSC, TGA, mechanical testing, rheology, inherent viscosity and particle

size analysis. The results will be used to interpret the differences in observed

behaviours. Ketonex Limited will act as an industrial partner for this project.

Controlling and optimising properties in Carbon Carbon Composites

Robin Young/Nicole Grobert

Novel processing routes for carbon fibre-carbon matrix composite materials are

emerging and are fast finding commercial application in demanding environments.

This is an important class of materials with applications in automotive, aviation and

space. Novel applications are dependent on the thermal properties of the materials

demanding exceptionally high or low specific thermal conductivity. The project aims

to identify and optimise the factors controlling thermal conductivity in a range of

material variants with and without CNT additions. Techniques include microscopy,

XRD, thermal conductivity measurement, hot pressing. The industrial partner is

FrenoCarbon.

Decompostion behaviours in ammonium borohydride hydrogen storage

systems

Robin Young

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We are looking at different polymer based materials to act as filters to purity

hydrogen from a contaminated gas stream. These operate on solution diffusion

mechanism; where the gas adsorbs on the surface diffuses through the polymer and

then desorbs from the other side. The performance depends on the solubility and

diffusion constants of the different gases within the polymer.

The project will be to search for new filter materials, and then develop and test them

to optimise their performance for use in a real application. It will involve making the

filters and testing them as well as characterising the materials using techniques such

as x-ray diffraction and electron microscopy. It will also be necessary to develop

simple models to understand how they are operating, both to assist with the

development and the search.

Cella Energy is a spin-out of the Rutherford Appleton Laboratory, University College

London and Oxford University. Its aim is to develop safe, low-cost hydrogen storage

materials for use with fuel cells in battery replacement projects and automotive

power applications. It currently has 21 employees/ contractors and students at two

sites: one at the Rutherford Appleton Laboratory and one at the Kennedy Space

Center in Florida. The project work will be done with the Cella Team at the UK

laboratory.