6 papers
Calculations of the Krypton Phase Diagram and Novel Plasticity
Marcin Kirsz, Asuka Iwasaki, Graeme John Ackland
The phase diagram for Kr, as represented by the Tadah! two-body potential is shown to have face-centred cubic (fcc), hexahonal close packed (hcp), and body centred cubic (bcc) regi…
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…
Observation of ÎJ=0 Rotational Excitation in Dense Hydrogens
Jie Feng, XiaoDi Liu, Haian Xu +3
Raman measurements performed on dense H2, D2 and H2+D2 in a wide pressure-temperature range reveal the presence of the ÎJ=0 rotational excitation. In the gas/fluid state this exci…
The distinction between Ice phases VII, VIII and X
Graeme J Ackland, Andreas Hermann, Kazuki Komatsu +2
Ice phases VII, VIII and X are all based on a body-centered cubic arrangement of molecules, the differences coming from molecular orientation. There is some debate as to whether th…
Oscillation in the SIRS model
D. Marenduzzo, A. T. Brown, C. Miller +1
We study the SIRS epidemic model, both analytically and on a square lattice. The analytic model has two stable solutions, post outbreak/epidemic (no infected, ) and the endemi…
Tadah! A Swiss Army Knife for Developing and Deployment of Machine Learning Interatomic Potentials
M. Kirsz, A. Daramola, A. Hermann +2
The Tadah! code provides a versatile platform for developing and optimizing Machine Learning Interatomic Potentials (MLIPs). By integrating composite descriptors, it allows for a n…