CCP5: The Computer Simulation of Condensed Phases

Allan, Neil L (Principal Investigator)

School of Chemistry

4 Article (Academic Journal)

4 results

2020
Multiple Cascade Radiation Damage Simulations of Pyrochlore
Archer, A., Foxhall, H. R., Allan, N. L., Shearer, J. R. W., Gunn, D., Harding, J., Todorov, I., Travis, K. P. & Purton, J., 28 Oct 2020, In: Molecular Simulation. 12 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
2 Citations (Scopus)

95 Downloads (Pure)
2017
Simulations of doped CeO₂ at finite dopant concentrations
Purton, J., Allan, N. & Gunn, D., Jan 2017, In: Solid State Ionics. 299, p. 32–37 6 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
19 Citations (Scopus)

433 Downloads (Pure)
2016
Growth of nano-domains in Gd-CeO₂ mixtures: Hybrid Monte Carlo simulations
Purton, J., Archer, A., Allan, N. L. & Gunn, D. S. D., 1 Mar 2016, In: Journal of Materials Chemistry A. 4, 12, p. 4592-4602 11 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
23 Citations (Scopus)

383 Downloads (Pure)
2015
Multi-million atom Monte Carlo simulation of oxide materials and solid solutions
Purton, J. A. & Allan, N. L., 1 Jun 2015, In: Computational Materials Science. 103, p. 244-249 6 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
3 Citations (Scopus)

441 Downloads (Pure)