CCP5: The Computer Simulation of Condensed Phases

Allan, Neil L (Principal Investigator)

School of Chemistry

4 Article (Academic Journal)

4 results

Filter

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)