185 citations · 273 across the 6 of their papers we have counts for
6 papers
Development of an Interatomic Potential for the Simulation of Defects, Plasticity and Phase Transformations in Titanium
M. I. Mendelev, T. L. Underwood, G. J. Ackland
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperat…
Efficacious calculation of Raman spectra in high pressure hydrogen
G. J. Ackland, I. B. Magdau
We present and evaluate an efficient method for simulating Raman spectra from molecular dynamics (MD) calculations {\it without} defining normal modes. We apply the method to high…
Probing atomic environments in alloys by electron spectroscopy
T. L. Underwood, G. J. Ackland, R. J. Cole
In alloys exhibiting substitutional disorder, the variety of atomic environments manifests itself as a `disorder broadening' in their core level binding energy spectra. Disorder br…
Molecular Dynamics and OKMC Study of Radiation Induced Motion of Voids and He Bubbles in BCC Iron
G. J. Galloway, G. J. Ackland
We show that voids adjacent to radiation damage cascades can be moved in their entirety by several lattice spacings. This is done using molecular dynamics cascade simulations in ir…
Devil's staircase in kinetically limited growth of Ising model
G. J. Ackland
The devil's staircase is a term used to describe surface or an equilibrium phase diagram in which various ordered facets or phases are infinitely closely packed as a function of so…
Ab initio studies of structural instabilities in magnesium silicate perovskite
M. C. Warren, G. J. Ackland
Density-functional simulations are used to calculate structural properties and high-symmetry phonons of the hypothetical cubic phase, the stable orthorhombic phase and an intermedi…