PhD Studentship in Model Development to Predict the Effects of Particle Size and Morphology on Energetic Material Sensitivity

About the Project

Applications are sought for a fully funded PhD studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with AWE Nuclear Security Technologies.

Due to the available funding, the position is suitable for candidates eligible for home student rates. The position carries an enhanced tax-free stipend above UKRI rates of approximately £26,000/year, subject to annual inflationary increase.

Background: Energetic materials (EMs; explosives, propellants, pyrotechnics) are an important class of functional materials characterised by their rapid release of energy when subjected to an external stimulus. EMs are pivotal to developments across industry from entertainment and propulsion to demolition and mining, and national security. The robust characterisation of EMs ensures appropriate safety, handling and transport protocols and prevents accidental initiation. Therefore, significant efforts are being devoted to understanding the initiation mechanism with the aim to predict the safety characteristics of existing EMs and design inherently safer alternatives.

We have recently developed a model to predict the sensitivity of EMs to initiation by mechanical impact^[1][2][3]. This model is based on understanding how energy from a mechanical shock redistributes through the vibrational modes of an EM to cause large-amplitude molecular distortions and, eventually, bond rupture. The model has been very successful at ranking the sensitivity of a wide range of EMs and lays the groundwork to begin exploring the influence that crystal size and shape play on explosive initiation.

The Project: This project will develop a new dimension for predicting the safety characteristics of EMs, with particular focus on enabling the in silico screening of realistic particle systems. This work has potential to transform our understanding of EM reactivity and improve safety across the industry. Working in the group of Dr Adam Michalchuk, and in collaboration with scientists at AWE, you will develop computational models and the corresponding tools to study and predict how crystal size and shape influence the impact sensitivity of EMs. You will work with cutting edge computational chemistry and machine learning tools to study the dynamics and reactivity of EMs. The candidate will also have opportunities to experimentally prepare EMs and validate their predictive models using specialised in-house equipment.

The School of Chemistry and University of Birmingham: The School of Chemistry (SoC) is housed in the new £85M molecular sciences building, housing state-of-the-art laboratory and office space. UoB houses a significant high-performance computing facility, available to this project. The candidate will join the Michalchuk group and the SoC Computational Chemistry research section.

The University of Birmingham was founded in 1900 on an anti-discrimination ethos accepting men and women on an equal basis. Today, as a community of over 150 nationalities in one of the UK’s most vibrant cities, we remain committed to promoting equality, diversity and fairness irrespective of age, disability, gender, pregnancy or marital status, race, religion or belief, sexual orientation or gender identity.

AWE Nuclear Security Technologies: For 75 years, AWE has proudly played a role of critical national importance: helping deliver the UK’s nuclear deterrent. We are at the forefront of science, technology and innovation, protecting the UK and NATO allies from the most extreme threats to national security. AWE has pioneered advancements in areas including physics, engineering, materials science, and high-performance computing. Together we’ve helped shape the UK’s technological landscape, driving innovation that extends well beyond defence.

The Candidate: Open to British citizens only. Competitive candidates should have or expect to receive a first or upper second (2.1) honours degree (or equivalent) in physics, chemistry, or other related discipline, and have a strong interest in computational modelling. Familiarity with solid-state and computational chemistry/physics would be advantageous.

Enquiries/Applications: Interested candidates are encouraged to contact Dr Adam Michalchuk by email to discuss the position informally and should include a brief CV detailing their suitability for the role. Formal applications should be made through the UoB online portal and include a CV and covering letter.

Deadline: The post will remain open until a suitable candidate has been identified.

Funding Notes

The position is only suitable for British nationals.

The position is supported by an enhanced tax-free stipend above standard UKRI rates, of approx £26000/year.