Periodic Reporting for period 1 - RADON (Irradiation driven nanofabrication: computational modelling versus experiment)
Reporting period: 2020-01-01 to 2023-07-31
RADON delivers state of the art programme, which addresses the modelling needs of the research and industry communities working on advancement of the methods of controlling irradiation-driven nanofabrication, whilst simultaneously training research and innovation staff capable of exploiting modern computational tools in this area of research and technology. RADON contains well-established academic and enterprise partners so that the involved research and innovation staff will have a unique opportunity to gain new research and technical skills on the utilization of modern computational and modelling tools in the breakthrough research and technological developments. Exposure of a system to radiation results in changes of the system's morphology, electronic, mechanical and catalytic properties. Controlling them with the nanoscale resolution is a considerable challenge, and irradiation of nanosystems especially during their growing or fabrication phase opens novel and efficient technologies to address the challenge. Currently such technologies allow for the controlled fabrication of nanostructures with nanometer resolution, although the control over their various properties remains to be improved. RADON aims at deeper understanding of the underlying molecular interactions and the key dynamical phenomena in irradiated nanosystems that will help to improve the technologies. This will be achieved through exploiting computational modelling approach supported by highly relevant experimental studies. RADON novelty is in using advanced computational methods to study irradiation-induced phase transitions and chemical transformations in complex nanosystems by means of large-scale molecular dynamics simulations.