The Crystallography Group at ISIS operates nine neutron instruments for diffraction and imaging studies, performing world class powder and single crystal diffraction measurements.
In the contest of the Endeavour project, which will bid for significant capital investment at ISIS for a suite of new instruments and major upgrades to the current facilities, the Crystallography Group has a project for extending the single crystal neutron diffraction capabilities at the facility, with an upgrade of the existing SXD instrument and the construction of a new instrument LMX.
The single crystal upgrade programme will allow to perform diffraction experiments beyond the capabilities currently offered by the suite of instruments within the ISIS Crystallography Group, widening the breath of science covered by the single crystal diffraction instruments to include large molecules from functional materials to small proteins. This upgrade program is an unique opportunity to further expanding the neutron user community and fill the gap between supramolecular chemistry and structural biology!
The objective of this post is carrying out Monte Carlo simulations in order to optimise the final designs of the SXD and LMX instrument, taking advantage of the recent developments in neutron guide and detector technologies. Simulations will start from existing initial design and focus in particular on the optical neutron path, flux at the sample position and expected count rates for a given specific resolution. The project will offer the student the opportunity to work at a world leading facility, learn about neutron diffraction methods and instrumentation and gain firsthand experience of the use of Monte Carlo methods to optimise a sophisticated design with many variables.
After learning about the application of single crystal diffraction methods, current instrumentation at neutron facilities worldwide and methods to simulate their performance using Monte Carlo methods, the student will:
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