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PhD Opportunities

Discover more about our exciting training programme and how to apply for a PhD with us!

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Academic Supervisors

Find out how academics at our partners can submit to the Materials 4.0 project calls!

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Industry Collaborators

Learn about opportunities to fund studentships, collaborate with our academics, or support your staff in a “PhD at work”

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Apply for a PhD

Projects involve all aspects of Materials 4.0 and span the Royce research areas. PhD projects will be posted here between October and March in advance of each cohort start.

Prospective students can contact project supervisors ahead of application, but should keep questions specific to the research involved. Contact the Materials 4.0 Team with any other questions.

Why do a PhD with us?

The Materials 4.0 CDT offers a comprehensive training programme in a supportive environment.

Key benefits include:

  • Access to the fabrication, characterisation, and testing facilities and expertise across the seven Royce partners in the centre
  • Work on projects with industrial collaborators, who sponsor and co-supervise most projects
  • Benefit from flexible and inclusive pathways for study; including part-time and at-work PhD options
  • Recieve a fully-funded PhD programme, covering fees, stipend and a research allowance
  • Participate in cohort-based training with other Materials 4.0 students across the UK
  • Develop personal training skills and move from learners to leaders in digital materials

The Materials 4.0 CDT  Team can help answer any questions you have.

Available Projects

The projects listed below will start in the autum of 2026 in Cohort 3. Complete the expression of interest form to be notified of new projects when they are advertised.

Application

The centre has three application deadlines across all the partners:

  • Thursday, 8 January, 2026
  • Tuesday, 3 March, 2026
  • Thursday, 14 May, 2026

Applications will be evaluated after each deadline and shortlisted candidates will be invited to interview with project supervisors. If a project does not recruit, then applications will reopen until the next deadline.

Applicants must:

  1. complete the university-specific application for the project of interest
  2. submit any university-specific additional supporting documents
Invitation to interview

Successful candidates will be invited to an online interview that should last 20-30 minutes. The panel will include the academic supervisor, a CDT representative and other supervisors. Interviews will involve:

  • a 5-minute presentation on previous study or work research
  • questions from the panel about the presentation
  • questions from the panel that will be shared in advance
    • these are identical across all Materials 4.0 CDT  partners
  • a chance for applicants to ask more about the project

Please click on the + or – signs to the right of each project title, to expand or hide further details.

Projects at the University of Strathclyde

Learn more about PhD projects from Strathclyde.

AI Surrogate Modelling to Enhance the Digital Twin of Titanium Cogging with FutureForge

Dr Jianglin Huang

Dr Jianglin Huang

Supervisor

This project is part of cohort 3 of the EPSRC CDT in Developing National Capability for Materials 4.0, with the Henry Royce Institute. It will be a collaboration among the University of Strathclyde, the Advanced Forming Research Centre (AFRC), the National Manufacturing Institute Scotland (NMIS) and the Design, Manufacturing & Engineering Management (DMEM).

Titanium alloys are essential to aerospace applications but remain extremely challenging to forge due to their narrow processing windows, strong sensitivity to temperature gradients, and tendency to develop defects. Cogging is a critical hot-working process used to refine ingot microstructures and prepare billets of different sizes and shapes for downstream processing. The design of cogging schedules is currently highly empirical, relying on expert know-how and time-consuming trial-and-error. With the sector accelerating toward digital transformation, forging processes must evolve beyond traditional empirical practice. Digital twin technologies—integrating physics-based simulation, in-process sensing, and AI models—provide a transformative platform for understanding and optimising titanium cogging, enabling faster development cycles, improved quality, and data-driven manufacturing.

This PhD will tackle the challenge of digital transformation in forging by developing AI-driven surrogate models for titanium cogging and embedding them into the FutureForge digital twin at the National Manufacturing Institute Scotland (NMIS). FutureForge is one of the world’s most advanced and largest hot-forging research and innovation facilities, powered by digital data science. It offers a data-rich environment where the forging industry can de-risk the development of new processes, products, and technologies for faster industrial adoption.

The research will focus on:

  • Developing and validating physics-based models for titanium cogging, generating datasets to understand how key process parameters and schedule designs influence deformation and microstructure.
  • Training surrogate machine learning models to rapidly predict process outcomes such as temperature distribution, strain evolution and microstructural changes.
  • Integrating these surrogate models into a digital twin framework to enable high-speed prediction, quick exploration of forging schedules, and optimisation under physical and operational constraints.
  • Validating AI predictions against experimental titanium forging trials to ensure accuracy, robustness, and industrial relevance.
  • Creating an automated decision-support and optimisation system that enables engineers to design and refine cogging schedules more efficiently and with greater confidence.

The vision is to establish an intelligent digital twin system through which engineers can evaluate, optimise, and adapt cogging schedules to accelerate process design, reduce development costs, and support the digital transformation of advanced metals processing. By creating an AI-empowered digital twin framework for cogging, this PhD will deliver both new scientific insights and transformative digital manufacturing tools for the aerospace metals industry.

How To Apply

Projects at the University of Leeds

Learn more about PhD projects from Leeds.

Smart nanomaterial characterisation

Dr Nicole Hondow

Dr Nicole Hondow

Supervisor

Electron microscopy is often used in the characterisation of nanomaterials, with scanning electron microscopy (SEM) and transmission electron microscopy (TEM) covering a wide range of nano- and micro-length scales, and associated spectroscopies providing chemical information. The ability to image and undertake analysis (size, structure, composition) at the individual particle level is unmatched by other techniques.

The challenge is that electron microscopy is disadvantaged by limited field of view and it being a manual approach. This results in a limited amount of data produced, often with a single “representative” image or data set being used to support characterisation from bulk techniques. A source of bias is introduced as a consequence of it being a manual approach.

The aim of this project is to create automated workflows for representative nanomaterial characterisation, encompassing data collection and subsequent data analysis. This research will challenge current approaches to electron microscopy with a view to establishing the potential for it to be a high-throughput technique with reduced bias.

The initial focus will be on nanomaterials, as electron microscopy is frequently used for size measurements and the immediate impact of automation approaches will be significant. The effect of different sizes will be assessed in terms of the instrumentation used, SEM compared to TEM, utilising the automation processes developed. The multitude of signals available via electron microscopy within imaging, spectroscopy and diffraction will require the development of a range of automation procedures, analysis workflows and data-centric interpretations. Critically, the sample preparation will be optimised utilising different approaches.

By harnessing advanced computer vision and artificial intelligence (AI) techniques, combined with automated cloud-based workflows, large-scale analysis of nanomaterials becomes feasible – enabling the generation of richly annotated datasets for detailed material characterisation. Generative AI can be employed to produce textual summaries of sample scans, allowing researchers to gain high-level insights across broad, representative samples before exploring specific areas of interest. Through the application of sophisticated computer vision algorithms, researchers can rapidly automate statistical analyses, delivering granular metrics on particle size, clustering, composition, and structural properties. This data-driven approach, powered by large-scale, unbiased sample collection, significantly reduces sample bias, improves reproducibility, and supports more robust, scalable insights into nanomaterial properties and behaviour.

The researcher will be trained on the world leading electron microscopy facilities in The Bragg Centre for Materials Research and will be part of the Leeds Electron Microscopy and Spectroscopy (LEMAS) group. Project progress will be accelerated through the researcher being trained in the use of the new instrumentation including the Tescan Amber X Focused Ion Beam Scanning Electron Microscope, equipped with both EDX and TOF-SIMS, and the Tescan Tensor, set up for 4D STEM analysis.

How To Apply

Transforming corrosion resistance of additively manufactured metals using electrochemical surface engineering

Dr Josh Owens

Dr Josh Owens

Supervisor

Additive Manufacturing (AM) offers major advantages in design flexibility and material efficiency, but surface texture remains a key barrier to wider adoption, especially for corrosion-critical applications. This project in collaboration with Holdson, specialists in sustainable electropolishing for aerospace, medical, and renewable energy sectors, aims to develop and optimise a novel electropolishing process tailored for AM metal alloys to minimise corrosion.

The initial phase of the project will evaluate corrosion performance of stainless steel produced via Laser Powder Bed Fusion, comparing various surface treatment approaches. Corrosion testing will replicate harsh conditions relevant to Holdson’s applications. A core innovation of this project is the development of high-throughput corrosion screening methods, enabled by multi-material components produced through advanced AM techniques. This approach enables batch electropolishing and rapid electrochemical testing at specific locations, correlating local alloy composition and microstructure with corrosion behaviour. Advanced microscopy will provide detailed surface and material analysis. Finally, the project will use high-throughput data to build a machine learning framework that predicts optimal electropolishing parameters for AM metal alloys, to support industrial implementation by Holdson.

How To Apply

Hierarchical Failure Analysis and Digital Twin Modelling of Next-Gen Hydrogel Coatings

Dr Shufan Yang

Dr Shufan Yang

Supervisor

This PhD Project sets the foundation for a new class of smart, durable hydrogel coatings designed using digital-first principles. By fusing materials science, machine learning, and advanced simulation, the project offers an exciting opportunity to redefine how we engineer and deploy functional surfaces for next-generation biomedical and medical implants. The project is supported by the University of Leeds, the University of Strathclyde and CN Technology Service Ltd.

Hydrogel coatings represent a critical interface technology for biomedical applications, yet their widespread adoption is severely limited by fundamental challenges in adhesion durability and mechanical integrity under real-world cyclic loading conditions. Structural limitations in current laboratory tests mean that hydrogel-coated prototypes cannot always be mechanically tested, complicating long-term performance evaluation for commercial development.

This project proposes developing an integrated digital twin platform that bridges experimental characterisation, multi-physics modelling, and deep learning to enable predictive design and optimization of hydrogel coating systems. The innovation lies in establishing a closed-loop workflow specifically for interfacial mechanics, with multi-scale integration and physics-informed machine learning and experimental design optimisation.

You will gain interdisciplinary skills in machine learning, medical image analysis, and coating design. As a PhD student within university of Leeds and co-supervised by staff at University of Strathclyde and CN Technology Service Ltd, there will be opportunities to contribute to wider activities related to precision measurement and transferable skill training. Groups of researchers working on aligned projects or using similar methods meet regularly to share ideas and best practice. We will support student long-term career ambitions through bespoke training and encourage external secondments, laboratory visits or participation at international conferences.

Candidates should hold a good bachelor’s degree (first or upper second-class honours degree) or an MEng/MSc degree in a relevant engineering/science subject.

How To Apply

Projects at The University of Manchester

Learn more about PhD projects from Manchester.

Multi-Modal AI Models for Designer Ferroelectric Devices

Dr James McHugh

Dr James McHugh

Supervisor

About the Project

Interfacial ferroelectrics are an emerging class of ferroelectric (FE) materials formed by introducing symmetry-breaking interfaces between stacked 2D van der Waals (vdW) crystals. This architecture enables polarisation without conventional lattice distortions: the out-of-plane component is set by stacking and can be reversibly switched through in-plane sliding. Because the sheets interact via weak vdW forces, these heterostructures are resilient to charge trapping, mechanical strain, and long-term degradation [1]. Stacking multiple layers permits multi-level, dynamically switchable polarisation states [2,4], enabling richer emergent behaviour and precise control of functionality. This out-of-plane FE can be exploited in field-tuneable devices: band-alignment engineering for reconfigurable optoelectronics [5,6], ferroelectric tunnel junctions (fTJs) as analogue synapses [7,8], and two-dimensional multiferroics realised by stacking monolayer magnets [9].

The design space spans many “interface architectures,” dictated by layer chemistry, stacking sequence, and interfacial twist at each boundary in a multilayer stack. Understanding the atomic-level interplay of FE and structure across this space is the key barrier to reproducible, high-precision realisation of targeted functionality. Switching often involves dislocation-mediated motion and twist-dependent relaxation; together with mixed chemistries, this demands tightly coupled theory and large-scale computation.

Project structure

This project will investigate multilayer functional devices built from stacked monolayer semiconductors and magnetic materials. High-throughput ab-initio Density Functional Theory (DFT) will provide layer-resolved properties—band edges, out-of-plane dipoles and magnetic moments—as electrically tuneable order parameters. Lightweight Atomic Cluster Expansion (ACE) machine-learning interatomic potentials (MLIPs) [10] will then efficiently scan chemistry/stacking/twist space, identifying structures with strong out-of-plane FE responses suited to sliding fTJs, field-tuneable optoelectronics, and low-power multiferroic spin-valves and memories. Finally, the student will develop multi-modal, charge-aware MLIPs, trained on the DFT corpus, to predict energies, forces and local charge densities, quantifying how point defects and impurities influence collective polarisation and switching pathways. In the longer term, such models could aid studies of nano-catalysis in disordered environments and improve orbital-free DFT through better kinetic-energy approximations.

Details of supervision

The PGR will join a lively research community across the CDT in Materials 4.0 and the National Graphene Institute (NGI), engaging regularly with NGI and theoretical-physics seminar series and participating in reading groups on ferroelectric interfaces, moiré relaxation and machine learning for materials. The lead supervisor will deliver a 10–15-credit-equivalent, project-specific programme of short lectures, guided notebooks and code walk-throughs covering the modern theory of polarisation and stacking-controlled ferroelectricity, practical DFT/ASE with QE or VASP, workflow automation, and MLIP development with ACE and MACE (including charge-aware models). Hands-on technique training will span vdW-inclusive DFT/MD, NEB for switching barriers, LAMMPS/MACE simulations of domain dynamics, and HPC best practice (SLURM, profiling, data management), alongside research-software and FAIR-data skills.

How To Apply

High-throughput making, characterising and testing of environmental barrier coatings for data-centric innovation

Prof Ping Xiao

Prof Ping Xiao

Supervisor

This PhD project will accelerate the development of novel environmental barrier coatings required for ceramic matrix composite components for the next generation of higher temperature aero-engines in collaboration with Rolls-Royce through machine learning. Silicon carbide-based ceramic matrix composites (SiC-SiC CMCs) are being developed to transform aeroengine design by replacing nickel-based superalloys in the hot section of an aero-engine, due to their superior high-temperature mechanical properties and lower density e.g. density of CMCs is about one third density of superalloys. The use of the lighter weight CMCs would allow engine operating at higher temperature, using less cooling air, and therefore fuel. However, environmental barrier coatings (EBCs) are required to protect SiC-SiC CMCs from steam corrosion in engine environment. Without EBCs, the underlying substrates rapidly degrade in the hostile gas-turbine environment, so the failure of the EBCs is life limiting for the entire component. To introduce EBCs into aero-engine service, extensive research on manufacture, characterization and testing of EBCs has been carried out over decades. A range of materials have been investigated, but the current state-of-the art EBCs are based on ytterbium disilicate deposited via the air plasma spraying (APS) process.

The PhD student will examine electrophoretic deposition (EPD) which is an alternative low cost and simple method alternative allowing easy control of the coating chemistry and microstructure. It can be applied to various substrate types of different sizes including rough surfaces such as SiC-SiC, or complex geometries, covering sharp corners or concave/convex surfaces. EPD of ytterbium disilicates has been developed by Prof Xiao’s group at University of Manchester to manufacture EBCs on SiC-SiC CMCs with better performance than APS produced coatings demonstrated. To optimise performance of the EBCs produced with use of EPD coatings, it is essential to establish relationships between processing parameters, microstructural attributes and properties/performance of the EBCs.

The PhD student will develop high throughput make-test and characterisation to explore various compositions and various powders supplied by different suppliers. This will open the way to a data centric approach. Fast characterisation and mechanical testing methods will be developed to enable our high throughput approach.

In tandem, the student will develop a digital twinning approach and use machine learning to establish the relation between EPD condition-microstructure-mechanical behaviour- performance of the coatings produced using EPD, and to point the way to better formulations and optimised processing at rates currently unachievable. In this way the student will accelerate the development of novel EBCs for this application and showcase how high throughput methods can be used to develop coatings across a wide range of coatings applications.

The successful candidate will collaborate closely with Rolls-Royce (the industrial sponsor) and will join a large research team based in the Henry Royce Institute, University of Manchester.

How to Apply

AI-Enabled Life Cycle Assessments to Transform Material Recovery and Recycling

Prof Michael Shaver

Prof Michael Shaver

Supervisor

This project is part of cohort 3 of the EPSRC CDT in Developing National Capability for Materials 4.0, with the Henry Royce Institute.

The studentship will develop machine learning methods to co-optimise environmental (life cycle assessment) and economic (return on investment) metrology to accelerate the circular economy for plastics and their multi-materials. While LCA & ROI are often used in materials innovation, laborious calculations prevent iteration. This studentship will develop AI-led multiparameter optimisations to apply these Materials 5.0 principles to both optimise waste fates (reuse, recycling, H2) for plastics and predict waste composition for plastic, glass and aluminium. With potential impacts for our industry partner, Resource Futures, and in shaping recycling investment and policy interventions from local and national government, this project has potential to reshape circularity of materials.

We seek an enthusiastic candidate who wants to join an interdisciplinary team in the Sustainable Materials Innovation Hub. The project would be suitable for a range of academic backgrounds in either machine learning and computer science, sustainability metrics and life cycle assessment, or materials engineering. Purpose-driven researchers keen to learn and collaborate on global challenges as change-makers will benefit from this unique opportunity within the Materials 4.0 CDT.

Development of Digital Failure Investigation Tools for Titanium Alloys

Dr Alec Davis

Dr Alec Davis

Supervisor

Ti-6Al-4V (Ti64) jet-engine fan blades and discs fail through crack initiation and propagation during long-duration and cyclical loading. The fracture surfaces of such components often exhibit ‘facets’ that are indicative of localised rapid cleavage of the material, and important aspects of their formation are under current investigation. In particular, the influence of local microstructure and texture, and fatigue-loading frequency and stress on fracture-surface morphology are not understood well enough to enable rapid and straightforward failure investigations. It is therefore of key importance to develop tools for easy correlation between fracture morphologies, microstructure features, and specific loading conditions. This will enhance the efficiency of failure investigation lead time, and reduce aerospace-industry safety and risk-mitigation costs.

Facets and other such common surface morphologies induced by fatigue (e.g. surface striations) are readily recognisable in scanning electron microscopy (SEM) images, and even in optical microscopy images and topography scans should the features be large enough. However, due the complexity of fatigue plane geometry in 3-dimensional space and dissimilar length scales under consideration, it is often difficult to associate the features seen in these images to the precise time frame of bulk-material loading changes that occur during application, and even in lab-scale tests. Correlation of these aspects therefore requires much time and effort before the data can be applied to productive causation investigations. However, there is an opportunity to develop digital tools to correlate fatigue loading changes to fracture morphologies using SEM-image-based data input. In particular, a tool that can recognise facet morphologies in datasets consisting of many SEM images taken over a specific fracture surface area, and then automatically correlate these to known influences of heterogeneous, textured microstructures and mechanical loading changes would significantly accelerate the speed of failure analyses. In addition, the development of such tools would intrinsically mature the knowledge base of fatigue-loading condition and microstructure influence on fracture-surface morphology, and improve the fidelity of the causation investigations.

The project supervisors believe this project to be perfectly suited to the Materials 4.0 CDT as the project goals are to develop digital-based tools that use materials fracture data for classification of crack-surface morphologies, to ultimately redesign titanium aerospace components with better control of fatigue life. In addition, such novel digital tools to ‘fingerprint’ titanium fracture surfaces can be reapplied to other alloy systems and other failure processes, to increase the functionality and maximise the value of the aforementioned materials data.

Projects at The University of Sheffield

Learn more about PhD projects from Sheffield.

FLAME-GPU accelerated agent-based modelling of material response to environmental and operational loading

Prof David Fletcher

Prof David Fletcher

Supervisor

The UK’s leadership in high-value manufacturing sectors, from aerospace to energy, depends on the rapid development of advanced materials. However, a significant bottleneck hinders progress: the current timeline for moving a novel alloy from initial concept to industrial consideration often takes years, stifling innovation. This PhD project is designed to directly address this critical challenge. It will establish, validate, and utilise a high-throughput methodology to bridge this gap, demonstrating a development cycle of just a few months. This work, conducted in close collaboration with Rolls-Royce plc , will use a new Ni-based superalloy as the primary demonstrator system to create a new paradigm for accelerated materials discovery.

This program is at the very heart of the Materials 4.0 initiative. It replaces the traditional, slow, trial-and-error approach with a data-centric and agile workflow. The project integrates three core pillars: (1) Digital & Data-Driven Discovery, by creating a large, unique dataset linking composition to phase stability and fundamental mechanical properties for data-driven down-selection; (2) High-Throughput Automation, leveraging rapid manufacturing via Directed Energy Deposition (DED) and coupling this with a rapid characterisation pipeline (e.g., X-ray diffraction, thermal analysis, automated nanoindentation, high-throughput micro-plastometry) ; and (3) Accelerated Validation, by rapidly screening the top candidates across three distinct, industrially relevant manufacturing pathways (Laser Powder Bed Fusion, Hot Isostatic Pressing, and Field Assisted Sintering).

The initial methodology will serve as the core iterative cycle for this PhD. The student will run multiple, increasingly complex cycles to not only discover new alloys but also to refine the methodology itself.

Year 1: Methodology Validation
The student will execute the foundational FAST-TRACK cycle: Explore compositional space using CALPHAD and simple ML models. Manufacture a materials library and begin the high-throughput characterisation pipeline. Complete characterisation and perform data analysis to identify structure-property relationships and down-select candidates. Conduct rapid manufacturing assessment, involving powder atomisation and consolidation via LPBF, HIP, and FAST. Additionally, dedicated in-depth analysis of this dataset, presenting initial findings, and planning the second cycle will be carried out.

Year 2: Methodology Refinement & ML Integration
A second, more ambitious cycle will be executed. This will involve a more complex alloy system as well as refining and automating the characterisation protocols for even faster screening. A key focus will be integrating machine learning (ML) models, trained on the Year 1 dataset, to predict promising compositions, making Cycle 2 more targeted and efficient.

Year 3: Application & Physical Metallurgy Insights
The student will run a third cycle, applying the now-refined methodology to address a specific, complex industrial challenge posed by Rolls-Royce. This year will also involve deeper scientific investigation into the fundamental structure-property relationships for Ni-based superalloys at a much broader scale, with manufacturing integrated on a fundamental level thus moving beyond rapid screening to generate new understanding.

Year 4: Open Access Knowledge Transfer
The final year will be dedicated to completing all experimental work, final data analysis, and writing the PhD thesis. A critical component of this project is its commitment to the Materials 4.0 ethos. All new data analysis protocols, computational models, and the validated methodology will be prepared for open access publication. This ensures the final report and data packages provide a robust, transferable blueprint for applying this agile approach to other alloy systems, accelerating knowledge creation and solidifying the UK’s position as a leader in industrial innovation.

How To Apply

FAST-TRACK: Fast Alloy Screening and Translation for aeRospACe Knowledge

Prof Kathy Christofidou

Prof Kathy Christofidou

University of Sheffield

This project is part of cohort 3 of the EPSRC CDT in Developing National Capability for Materials 4.0, with the Henry Royce Institute.

The UK’s leadership in high-value manufacturing sectors, from aerospace to energy, depends heavily on the rapid development of advanced materials. However, a significant bottleneck currently hinders progress in this area because the timeline for moving a novel alloy from an initial concept to industrial consideration often takes years, which stifles innovation. This PhD project is designed to directly address this critical challenge by establishing and validating a high-throughput methodology to bridge this gap in just a few months. Conducted in close collaboration with Rolls-Royce plc, this project will use a new Ni-based superalloy as the primary demonstrator system to create a new paradigm for accelerated materials discovery.

The program is situated at the heart of the Materials 4.0 initiative and aims to replace traditional trial-and-error methods with a data-centric, agile workflow. The research strategy integrates three core pillars starting with Digital and Data-Driven Discovery, which involves creating a large, unique dataset linking composition to phase stability and fundamental mechanical properties for data-driven down-selection. The second pillar is High-Throughput Automation, leveraging rapid manufacturing via Directed Energy Deposition (DED) coupled with a rapid characterisation pipeline that includes X-ray diffraction, thermal analysis, automated nanoindentation, and high-throughput micro-plastometry. The final pillar focuses on Accelerated Validation by rapidly screening top candidates across three industrially relevant manufacturing pathways: Directed Energy Deposition (repair based) Laser Powder Bed Fusion (LPBF) and Hot Isostatic Pressing (HIP).

During the first year of the PhD, the student will focus on methodology validation by executing the foundational FAST-TRACK cycle. This involves manufacturing a diverse materials library, performing high-throughput characterisation, and conducting rapid manufacturing assessments. Into the second year, the project moves toward methodology refinement and Machine Learning integration. The student will execute a more ambitious cycle with a complex alloy system and integrate machine learning models trained on the Year 1 dataset to predict promising compositions.

The third year focuses on application and physical metallurgy insights, where the student will apply the refined methodology to a specific, complex industrial challenge posed by Rolls-Royce. This phase will generate deep insights into structure-property-processing relationships. Finally, the fourth year is dedicated to knowledge transfer, where the validated methodology, data analysis protocols, and computational models will be prepared for open-access publication to provide a blueprint for the wider materials community.

Developing novel tools for the analysis of local order using total scattering data (TScat)

Dr Lewis Owen

Dr Lewis Owen

Supervisor

Total scattering is an advanced X-ray and Neutron scattering technique that provides atomic scale information about the structure of a material. Many important materials systems are known to have properties that are strongly affected by this local structure (effects on the atomic scale) including materials for atomic energy, battery components and structural applications. For example, short-range order (the preference of atoms to sit next to or avoid each other) can affect the radiation damage tolerance, electrical resistivity or strengthening properties of a material.

However, despite the importance of local structure and short-range order, studies using total scattering remain limited – particularly in metallurgical systems. One significant reason for this is the complexity involved in the data processing methods employed, and the subsequent analysis and fitting of the data. These steps involve expertise in multiple software suites and an understanding of the interdependence between them. This creates a barrier for novel users of the technique, preventing wide adoption of the method.

This project aims to lower the barrier by creating tools to aid in the analytical workflow. We will look to create novel tools and a coherent workflow that combine the diverse pieces of software used. This will provide a tool to guide the user through the steps of the process, allowing for information transfer between the software, and improving the quality of the resultant analysis. This will also involve the collection of a curated data set, and the use of Machine learning tools to further enhance the analytical process. Together, this will help expand the use of the technique and unlock new areas of materials exploration.

The project will involve a mixture of coding, data curation, practical experiments at UK national X-ray and Neutron facilities, and method development. This project would suit someone with a background in Material Science, Chemistry, Physics or Computer Science. The student will be part of the MOSAIC group at the University of Sheffield. The project will involve close work with colleagues at the ISIS Neutron and Muon Source and Diamond Light Source (the UK national research facilities), and the STFC Scientific Computing team. The student will also be part of the Royce Institute Materials 4.0 CDT and be part of a national cohort working to realise the potential of the digital and data revolutions in materials science. CDT students undertake a doctorate with an in-depth technical and professional skills training across a structured 4-year programme.

Projects at the University of Cambridge

Learn more about PhD projects from Cambridge.

Discovering Next-generation Semiconductors via a Self-driving Lab Approach

Dr Shijing Sun

Dr Shijing Sun

Supervisor

In this project, the student will develop an autonomous experimental platform that integrates robotic synthesis, automated spin-coating, and AI-driven optimisation to discover and control next-generation metal halide perovskite semiconductors. Positioned at the interface of materials science, robotics, and machine learning, the project addresses a key bottleneck in AI-accelerated materials discovery: bridging the gap between AI-generated materials predictions and experimentally realisable, high-quality thin films for clean energy and optoelectronic applications.

Metal halide perovskites are leading candidates for future solar cells, light-emitting diodes, displays, lasers, and photodetectors due to their exceptional optoelectronic properties and compatibility with low-cost, solution-based processing. At the same time, advances in artificial intelligence have enabled the rapid generation of thousands of hypothetical perovskite and perovskite-inspired crystal structures with targeted stability or optoelectronic performance. However, many of these designs remain unrealised experimentally. This disconnect is particularly acute for solution-processed thin films fabricated via spin-coating, where small variations in processing parameters can lead to substantial changes in crystal phase, morphology, defect density, and functional properties.

This project provides training in autonomous laboratory methodologies designed to overcome these challenges. Building on developments in the Autonomous Materials Group at the University of Cambridge, the student will develop automated spin-coating workflows and integrate them into a high-throughput robotic platform for fully automated thin-film fabrication and characterisation. Optical and structural techniques, including photoluminescence (PL) spectroscopy and X-ray diffraction (XRD), will be incorporated to generate high-quality experimental data. These data will inform AI process models that learn processing–structure–property relationships and guide optimisation. The student will receive interdisciplinary training across materials science, automation, and machine learning, making this project well suited to candidates interested in combining experimental research with data-driven methods.

Projects at the University of Oxford

Learn more about PhD projects from Oxford.

Thermomigration of Hydrogen in Reactor Fuel Cladding Materials

This project will study how temperature gradients drive hydrogen diffusion. This little-studied effect, called thermomigration, can strongly impact hydrogen embrittlement. It is especially important in systems with steep thermal gradients, such as hydrogen fuel systems, nuclear fuel cladding and fusion reactor armour. This project will develop a machine-learning-enhanced digital material twin to correctly capture this effect, leveraging new thermo-migration measurements.

The transport of solutes through metals due to a temperature gradient is known as thermomigration. It is important for structural metals exposed to hydrogen (H), as H embrittlement and hydride precipitation are sensitive to local concentration. To correctly predict H transport, especially in the presence of steep temperature gradients, thermomigration must be
accounted for.

In reactor fuel cladding, steep temperature gradients arise radially from internal heating and water-side cooling. Thermomigration is likely to dominate the H concentration profile. For high fidelity modelling of H and hydride embrittlement in cladding materials this effect must be properly understood. Unfortunately, there is a lack of physical clarity regarding of the driving force(s) for thermomigration, including the complex associated electronic effects. The development of new modelling capabilities is urgently needed. These in turn require reliable experimental data across broad temperature and temperature gradient ranges.

The heat of transport, 𝑄∗, is used to quantify the direction and magnitude of thermomigration. Surprisingly, there is little experimental 𝑄∗data, with the most prominent examples found in Zr cladding alloy [1-3]. However, this data was attained post hoc by measuring H content at ambient temperature [4], introducing considerable uncertainties. The most robust heat of transport measurements were reported by Gonzalez and Oriani in the 1960’s for pure Fe and pure Ni, using a thermo-osmosis technique to measure 𝑄∗ in the 400 − 600 °C range [5].

The central goal of this project is to develop a digital material twin that accurately captures hydrogen transport and trapping in Zr under complex conditions (stress, temperature, hydrogen, irradiation etc.). To support this, a new rig will be constructed to allow robust 𝑄∗ measurements across broad temperature ranges. The rig will consist of a permeation cell with
precise temperature gradient control across thin membrane samples, coupled with a mass spectrometer for highly sensitive H flux measurements. A detailed digital twin of the experiment will be constructed to allow rapid inversion of experimental measurements into Q* data.

The new heat-of-transport data will allow the student to test a physically-based model we recently proposed to capture the temperature dependence of heat-of-transport [6], and to calibrate this model for Zr. A key challenge will be to develop approaches to capture and explain differences between the model predictions and the experimental measurement, for example due
to the transient interplay between H thermomigration and hydride precipitation at low temperatures, or evolution of the microstructure. A key complication is that our previous results suggest that molecular dynamics simulations are unlikely to accurately capture thermomigration due to the lack of electronic effects. Here, we propose to leverage the use of machine learning descriptors of atomistic configurations as a proxy to predict evolution in heat-of-transport (similar to an approach we developed to predict thermal conductivity from MD simulations of
defective metals).

To maximise impact, the “thermomigration” digital material twin developed in this project will be integrated into the comprehensive material model being continuously developed by Rolls-Royce for fuel cladding design and optimisation. The combination of sophisticated newexperiments with cutting-edge material simulation and surrogate modelling to tackle a complexmaterials challenge with direct industrial impact strongly reflects the core motivation of the Materials 4.0 CDT.

Projects at Imperial College London

Learn more about PhD projects from Imperial.

Inspection of ceramic-based materials used in demanding environments using data-driven systems

Dr Oriol Gavalda Diaz

Dr Oriol Gavalda Diaz

Supervisor

The long-term performance of energy generation (e.g., nuclear plants) and transport applications (e.g., aviation) is underpinned by ceramic-based coatings and composites that can withstand demanding environments. For instance, thermal barrier coatings (TBCs), environmental barrier coatings (EBCs), and ceramic matrix composites (CMCs) are examples of ceramics which can continue to improve product performance and promote sustainability in the aero-engine industry. Given the harsh conditions, these materials may experience degradation through-life driven by complex combinations of thermal, mechanical, and chemical processes, often accelerated by contaminants such as CMAS (calcium–magnesium–alumino–silicates).

Rolls-Royce has identified Raman spectroscopy as a promising technology for non-destructive and potentially on-wing (without dismounting the aero-engine) inspection of such materials. However, the Raman spectra collected in-service are highly complex, and their interpretation requires new approaches that integrate databases of lab-based characterisation data and data-driven analysis protocols. The key challenge is linking spectral features to specific degradation mechanisms and relate these to the environmental degradation of the component. Moreover, a holistic view of the degradation of the material will require to link these degradation mechanisms to other sources of inspection data (e.g. advanced microscopy techniques or visual inspection).

This project will create a data-rich experimental and analytical framework to overcome these challenges. It will combine the following:

  • Controlled laboratory experiments that simulate degradation mechanisms in ceramics, generating reference datasets of Raman spectra across different conditions (temperature, stresses, and contaminant exposure).
  • Complementary nanoscale characterisation data (e.g., electron microscopy) to validate the key spectral signatures.
  • Advanced data-analysis protocols to link lab data to real applications. Methods such as spectral decomposition, machine learning, and database-driven comparison will be applied to extract characteristic features from the Raman datasets. The goal is to create a systematic approach for data-informed inspection, in which spectra are not simply recorded but actively interpreted against a material database.

Rolls-Royce will provide real aero-engine samples to validate our laboratory-generated databases and analysis protocols. Hence, the outputs of the project will directly support the implementation of in-situ/on-wing inspection tools by Rolls-Royce, reducing reliance on destructive testing, enabling predictive maintenance strategies and extending the lifetime of components.

How To Apply

​​Upscaling Iron Electrolysis: Digital Twins of Electrolysis Systems​

Dr Abigail Ackerman

Dr Abigail Ackerman

Supervisor

​Low temperature electrolysis is an emerging technology that has the potential to revolutionise the ironmaking industry. Iron and steel production currently accounts for around 8% of global CO₂ emissions, with approximately 70% of these emissions resulting from the reduction of iron ore (naturally found as Fe₂O₃). The dominant reduction method—carbon-based blast furnace processing at ~2100 °C—releases oxygen from the ore, which bonds with carbon to form CO₂. On average, producing one tonne of iron this way emits about 1.8 tonnes of CO₂.

​​Low-temperature electrolysis offers a promising alternative. Over the past decade, this experimental method has shown potential to significantly lower both carbon emissions and energy demand compared with other green technologies such as Direct Reduced Iron (DRI), which uses hydrogen as a reducing agent. Unlike many existing approaches, this method produces only oxygen as a by-product and does not require high-purity ore. This makes it particularly suitable for processing lower-grade iron ores and recovering iron from waste streams such as mine water and tailings.

​An important yet underexplored aspect is the application of digital twins to remote sensing of electrolyser cells. In multi-electrolyser systems, digital twins are critical for balancing power input across cells and for predicting component degradation under demanding operating conditions. This project will build on existing digital twin blueprints for electrolysers by developing a robust sensor system that feeds real-time data into a digital twin, designed and implemented by the student. This capability will be central to ongoing upscaling efforts within both the supervisor’s research group and the project’s industrial sponsor.

How To Apply

On-Chip Multi-Modal Operando Gas Analytics to Decode Battery Material Degradation

Dr Jingwen Weng

Dr Jingwen Weng

Supervisor

Battery material performance, lifetime and safety are strongly influenced by gas evolution arising from electrolyte decomposition and interfacial reactions. Gas accumulation can trigger swelling, venting and thermally driven material failure. However, the mechanistic links between gas evolution, thermal effects and battery material degradation remain unclear due to the lack of analytical platforms capable of capturing gas release with high temporal resolution. Recent progress in on-chip electrochemical mass spectrometry (EC-MS) enables operando quantification of gas evolution with picomole-per-second sensitivity, providing a powerful route to uncover how gas signatures reflect interfacial reactions and degradation pathways. Yet this opportunity has not been translated into a generalisable Materials 4.0 capability integrating multi-modal sensing, real-time interpretation and structured data for mechanistic discovery.

This PhD will develop a new on-chip multi-modal operando gas analytics capability to understand how gas evolution triggers degradation in battery materials under thermal effects. EC-MS will be adapted to controlled elevated-temperature environments to quantify gas evolution during electrochemical cycling and thermal stress. By integrating gas, electrochemical and thermal measurements into a real-time analytical framework, the project will provide high-resolution mechanistic insight into temperature-driven degradation and thermally induced failure in battery materials. A curated Gas Evolution Database will document gas fingerprints, thermal conditions and cycling parameters across representative electrode–electrolyte chemistries.

Work packages/Timeline

Year 1: Platform establishment and operando capability development. The student will build the on-chip EC-MS platform for battery materials under controlled thermal conditions, calibrate synchronised gas–electrochemical–thermal measurements and validate data quality on selected chemistries.

Year 2: Multi-Material Screening & Data-Centric Interpretation. The capability will be applied across electrolyte formulations, coatings and additives using thermal perturbation to map gas evolution behaviours. Selected end-of-cycle samples will undergo complementary ex situ characterisation to capture chemical or microstructural signatures of temperature-driven degradation.

Year 3: Mechanistic discovery and ML-enabled insight. Machine-learning interpretation will be used to correlate gas evolution with interfacial reactivity, property decay and precursors to thermally driven failure. Ex situ techniques such as isotopic SIMS and cryogenic microscopy will validate reaction pathways inferred from operando analytics. A complex industrially relevant materials case will be studied in collaboration with SpectroInlets.

Year 4: Deployment, Transfer & Open Materials 4.0 Knowledge. The workflow will be extended beyond battery materials to demonstrate transferability to other reactive systems where gas evolution governs degradation. Final work will include data analysis, thesis writing and preparation of databases, protocols and models for open access.

The student will gain interdisciplinary expertise in electrochemical and thermal characterisation, chip-based sensing, real-time signal processing, database construction and machine learning. The project aligns strongly with the Materials 4.0 vision by combining smart characterisation, cyber-physical sensing and data-enabled modelling. Outcomes will be: (a) new scientific understanding of how gas evolution triggers thermally driven degradation in battery materials, and (b) a deployable Materials 4.0 capability for the wider research community.

Supervisors – 
submit a project

Are you a prospective supervisor from one of the partner organisations? Find out how to get involved in supervising a Materials 4.0 PhD project:

Academic Supervisors

We welcome proposals from supervisors based at our partner universities for postgraduate research projects in Materials 4.0. The research projects must fulfil two basic criteria:

  1. they must develop a new capability, going beyond simply applying existing methods to create new ways of working within the scope of Materials 4.0; and
  2. the capability developed must be applicable to multiple sub-domains of materials.

These criteria will ensure PhD researchers develop the knowledge and skills required to drive impactful, ground-breaking research in materials science.

Submit a project for 2026

  • Round 1: Now Closed
  • Round 2: Now Closed
  • Round 3: Closes Monday 2 February 2026
  • Round 4: Opens Tuesday 3 February 2026; closes Monday 30 March 2026

Submission form

To submit a project to the CDT please complete either the webform, or fill in and email a Word document to doctoral-training@royce.ac.uk by the deadline.

Do get in touch with your local co-investigator to discuss your submission, especially if you are yet to secure industrial funding.