Research

Overview

My research uses molecular simulations to understand nanoscale phenomena at interfaces, with applications in thermal management, de-icing, and self-cleaning surfaces. I combine molecular dynamics with continuum methods to bridge scales from atoms to engineering devices.

Current Projects

Nanomaterial-Enhanced Cooling

High-performance electronics generate extreme heat fluxes that conventional cooling cannot handle. This project investigates how nanomaterials can enhance liquid cooling through:

  • Nanoporous membranes for controlled evaporation
  • Engineered solid-liquid interfaces for improved heat transfer
  • Machine learning potentials for accurate molecular simulations

Ice Nucleation and De-Icing

Understanding how ice forms at the nanoscale is crucial for designing surfaces that prevent icing on aircraft, wind turbines, and infrastructure. We study:

  • Heterogeneous ice nucleation on different surface chemistries
  • Effects of surface vibrations on ice formation
  • Design principles for icephobic surfaces

Nanoscale Heat Transfer

Heat flow across solid-liquid interfaces is governed by atomic-scale phenomena. We investigate:

  • Spectral mechanisms of interfacial thermal conductance
  • Effects of surface chemistry and structure
  • Role of interfacial water structure

Boiling and Bubble Dynamics

Phase change at surfaces is central to many cooling technologies. Our work explores:

  • Heterogeneous vapour bubble nucleation
  • Effects of surface wettability on bubble growth
  • Acoustically-driven nanobubble dynamics

Methods

Molecular Dynamics

We use classical MD with both empirical potentials and machine-learning interatomic potentials to simulate systems of millions of atoms over nanosecond timescales.

Multiscale Modelling

Our group develops methods to couple molecular simulations with continuum solvers, enabling simulation of macroscale problems while retaining nanoscale physics at interfaces.

High-Performance Computing

Simulations run on UK national supercomputers (ARCHER2, CIRRUS) and institutional HPC facilities.

Group Website

For more details on our research activities, visit the mfX Group Website.