Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
University of Leeds
Calculation and measurement of terahertz active normal modes in crystalline PETN
JEC-1: Supported by a Basic Technology Translation grant (EP/E048811, PI:Linfield, £871,778), an FP6 Integrated Project 'TeraNova', and UK government security agencies (HMGCC/DSTL/HOSDB), we performed the first combined experimental/theoretical studies of terahertz active normal modes in crystalline PETN, a high explosive. This was also the first comparison of density functional theory and classical calculations at terahertz frequencies. We showed the energy in each normal mode could be apportioned between ‘internal’ and ‘external’ vibrations, providing fundamental insight into low frequency transitions. This underpinned a €45k consultancy with Selex-Sistemi-Integrati (2012), a £428k HOSDB contract (2009–2012), and a 2013 DTRA award (HDTRA1-14-C-0013, PI:Linfield, $255,671).
