Undergraduates learn that crystalline materials contain specific arrangements of atoms, repeated over and over in three dimensions. While this is certainly true on average, this model conceals the fact that the atoms and molecules in crystals can often move around relatively easily. In materials ranging from solar cells to ferroelectrics, this molecular motion is not just a complication, but contributes directly to these materials’ functionality.
In theory, neutron scattering should be the ideal technique for understanding these dynamically disordered materials, since it is sensitive to both their structure and dynamics (the subject of the 1994 Nobel Prize in Physics). In practice, however, inelastic (INS) and quasielastic (QENS) neutron scattering data are often too complex to be interpreted by hand for any but the very simplest materials.
The aim of this project is to contribute to solving this problem by developing computational tools that link molecular dynamics models to the neutron scattering data they produce, so that neutron scattering can be used to understand the precise molecular motion responsible for these materials’ useful properties. You will work in close collaboration with ISIS staff who develop the Euphonic and MDANSE software and operate neutron spectrometers to collect INS and QENS data.
Our specific interest is in barocalorics – materials that can be cycled between high- and low-entropy states as a function of applied pressure, and which can hence be used for environmentally friendly refrigeration. This work is, however, relevant to many other types of materials, including for sensors, transducers, solar cells, and thermal batteries, and more broadly to soft and biomaterials. The methods developed in this project will be made freely available and we expect that they will soon be used by the international community in these fields.
This project is jointly funded by QMUL and ISIS Neutron and Muon Source. You will split your time between ISIS and QMUL, with about 1 year in total based at ISIS and 2 years in London. Graduates in both physics and chemistry are encouraged to apply. Experience and interest in programming in any language would be an advantage. You will be trained and gain in-depth experience in data collection and analysis from state-of-the-art neutron facilities: an excellent foundation to an academic or industrial career in materials chemistry or physics.
Supervisor Contact Details:
For informal enquiries about this position, please contact Dr Anthony Phillips (QMUL, [Email Address Removed]) or Dr Helen Walker (ISIS, [Email Address Removed]).
Application Method:
To apply for this studentship and for entry on to the PhD Physics programme (Full Time - September - semester one start) please follow the instructions detailed on the following webpage:
Further Guidance: https://www.qmul.ac.uk/postgraduate/research/subjects/physics.html
Deadline for applications: Project will be advertised until a suitable applicant is found. Potential applicants are advised to apply early.
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