In the heart of Bristol, researchers are pushing the boundaries of diamond growth simulation, and their work could have significant implications for the energy sector. Max D. G. Williams, a scientist at the University of Bristol’s School of Chemistry, has developed a sophisticated 3D kinetic Monte Carlo (kMC) model that promises to revolutionize our understanding of chemical vapour deposition (CVD) diamond growth.
Williams’ model is a significant leap forward in the field of diamond growth simulation. It’s the first to incorporate a fully tetrahedral model for the diamond lattice, allowing for a more accurate representation of the growth process. “Previous models have been limited to two dimensions or have oversimplified the 3D structure of diamond,” Williams explains. “Our model provides a more comprehensive view of the growth process, allowing us to explore new mechanisms and interactions.”
The model supports the adsorption and incorporation of CHx species at various sites on the diamond surface. Once incorporated, these species can either be etched back into the gas phase or migrate across the surface until they fuse and add to the bulk. The model also includes specific dimer-creation and dimer-breaking processes, which are crucial for understanding the growth of nanocrystalline and microcrystalline diamond.
The implications of this research for the energy sector are substantial. CVD diamond has a wide range of applications in energy technologies, from cutting and drilling tools to high-power electronics and radiation detectors. A better understanding of the growth process could lead to the development of more efficient and cost-effective manufacturing processes, ultimately driving down costs and increasing the adoption of these technologies.
Williams’ model also sheds light on the role of surface migration in the growth process. “We’ve identified three key migration events that play a crucial role in the growth of diamond,” Williams says. “By incorporating these events into our model, we’ve been able to predict growth rates and roughness with greater accuracy.”
The research, published in the journal Functional Diamond (translated to English as Functional Diamond), is a significant step forward in the field of diamond growth simulation. It provides a more accurate and comprehensive view of the growth process, paving the way for the development of new technologies and applications.
As we look to the future, Williams’ work serves as a reminder of the power of simulation and modelling in driving technological innovation. By pushing the boundaries of what’s possible, researchers like Williams are helping to shape the future of the energy sector and beyond.