5 citations · 5 across the 6 of their papers we have counts for
6 papers
Topological Signatures of Hardness and Structural Order in Network-Forming Materials
Yair Augusto Gutiérrez Fosado, Ayobami Daramola, Davide Marenduzzo +1
Understanding how the topology of network forming materials influences their physical properties remains a longstanding challenge. Here, we investigate the topology of experimental…
Understanding the lifetime of water with dynamic network analysis: the case of CsOH.H2O
Graeme J. Ackland, Ciprian G. Pruteanu, John S. Loveday +1
We describe the atomic-level motions in caesium hydroxide monohydrate (CsOHHO), which is a chemical compound containing layers of water and hydroxide ions. At this compo…
Frustrated supermolecules: the high-pressure phases of crystalline methane
Marcin Kirsz, Miguel Martinez-Canales, Ayobami D. Daramola +3
Methane is the simplest hydrocarbon, yet it exhibits an extraordinarily complicated series of crystal phases. Notably, the non-plastic phases have large unit cells with nearly, but…
Understanding solid nitrogen through machine learning simulation
Marcin Kirsz, Ciprian G. Pruteanu, Peter I. C. Cooke +1
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of . The potential is trained only on high qual…
A comparison of different Fourier transform procedures for analysis of diffraction data from noble gas fluids
John E. Proctor, Ciprian G. Pruteanu, Benjamin Moss +4
A comparison is made between the three principal methods for analysis of neutron and X-ray diffraction data from noble gas fluids by direct Fourier transform. All three methods (st…
On the transition from gas-like to liquid-like behaviour in supercritical N2
J. E. Proctor, C. G. Pruteanu, I. Morrison +2
We have studied in detail the transition from gas-like to rigid liquid-like behaviour in supercritical at 300 K (2.4 ). Our study combines neutron diffraction and Raman…