Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials

    Drummond, N. D. & Ackland, G. J., 2002, In: Physical Review B: Condensed Matter and Materials Physics. 65, 14 p., 184104.

    Research output: Contribution to journalArticlepeer-review

  2. A THEORETICAL-STUDY OF PRESSURE EFFECTS ON SELENIUM-I

    CLARK, SJ., ACKLAND, GJ., AKBARZADEH, H. & Ackland, G., 1995, In: Journal of Physics and Chemistry of Solids. 56, 3-4, p. 329-334 6 p.

    Research output: Contribution to journalArticlepeer-review

  3. A dynamic mechanism for retrograde solid solubility

    Ackland, G., Jul 1991, In: Philosophical Magazine Letters. 64, 1, p. 15-19 5 p.

    Research output: Contribution to journalArticlepeer-review

  4. A first principles and mean field investigation of the conformational properties of 5CB

    Adam, CJ., Ferrarini, A., Wilson, MR., Ackland, GJ. & Crain, J., 20 Aug 1999, In: Molecular Physics. 97, 4, p. 541-550 10 p.

    Research output: Contribution to journalArticlepeer-review

  5. A theoretical study of selenium I under high pressure

    Akbarzadeh, H., Clark, S. J. & Ackland, G. J., 25 Oct 1993, In: Journal of Physics: Condensed Matter. 5, 43, p. 8065-8074 10 p.

    Research output: Contribution to journalArticlepeer-review

  6. ALUMINIUM Simple metal no more

    McMahon, M. I. & Ackland, G. J., Aug 2010, In: Nature Materials. 9, 8, p. 607-608 2 p.

    Research output: Contribution to journalComment/debatepeer-review

  7. AN IMPROVED N-BODY SEMIEMPIRICAL MODEL FOR BODY-CENTERED CUBIC TRANSITION-METALS

    ACKLAND, GJ., THETFORD, R. & Ackland, G., Jul 1987, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 56, 1, p. 15-30 16 p.

    Research output: Contribution to journalArticlepeer-review

  8. APPLICATION OF MANY-BODY POTENTIALS TO NOBLE-METAL ALLOYS

    ACKLAND, GJ., VITEK, N. V. & Ackland, G., 1989, ATOMISTIC SIMULATION OF MATERIALS : BEYOND PAIR POTENTIALS. VITEK & SROLOVITZ, DJ. (eds.). NEW YORK: PLENUM PRESS DIV PLENUM PUBLISHING CORP, p. 193-202 10 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  9. ATOMIC-STRUCTURE AND CHEMICAL-COMPOSITION OF GRAIN-BOUNDARIES IN L1(2) INTERMETALLIC COMPOUNDS - RELATION TO INTERGRANULAR BRITTLENESS

    YAN, M., VITEK, V., ACKLAND, GJ. & Ackland, G., 1992, ORDERED INTERMETALLICS - PHYSICAL METALLURGY AND MECHANICAL BEHAVIOUR. LIU, CT., CAHN, RW. & SAUTHOFF, G. (eds.). DORDRECHT: Kluwer Academic Publishers, p. 335-353 19 p. (NATO ADVANCED SCIENCE INSTITUTES SERIES, SERIES E, APPLIED SCIENCES; vol. 213).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  10. ATOMISTIC MODELING OF EXTENDED DEFECTS IN METALLIC ALLOYS - DISLOCATIONS AND GRAIN-BOUNDARIES IN L12 COMPOUNDS

    VITEK, N. V., ACKLAND, GJ., CSERTI, J. & Ackland, G., 1991, ALLOY PHASE STABILITY AND DESIGN. STOCKS, GM., POPE, DP. & GIAMEI, AF. (eds.). PITTSBURGH: MATERIALS RESEARCH SOC, p. 237-251 15 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 186).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  11. Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

    Malerba, L., Ackland, G., Becquart, C. S., Bonny, G., Domain, C., Dudarev, S. L., Fu, C. -C., Hepburn, D., Marinica, M. C., Olsson, P., Raulot, J. M., Pasianot, R. C., Soisson, F., Terentyev, D., Vincent, E. & Willaime, F., 1 Nov 2010, In: Journal of Nuclear Materials. 406, 1, p. 718 12 p.

    Research output: Contribution to journalArticlepeer-review

  12. Ab initio calculations of the self-interstitial in silicon

    Clark, S. J. & Ackland, G. J., 1 Jul 1997, In: Physical Review B: Condensed Matter and Materials Physics. 56, 1, 4 p., 47.

    Research output: Contribution to journalArticlepeer-review

  13. Ab initio elasticity and lattice dynamics of AgGaSe2

    Karki, B. B., Clark, S. J., Warren, M. C., Hsueh, H. C., Ackland, G. J. & Crain, J., 13 Jan 1997, In: Journal of Physics: Condensed Matter. 9, 2, p. 375-380 6 p.

    Research output: Contribution to journalArticlepeer-review

  14. Ab initio model of porous periclase

    Drummond, N. D., Swift, D. C. & Ackland, G., 2004, SHOCK COMPRESSION OF CONDENSED MATTER - 2003, PTS 1 AND 2, PROCEEDINGS. Furnish, MD., Gupta, YM. & Forbes, JW. (eds.). MELVILLE: American Institute of Physics, p. 1436-1439 4 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  15. Ab initio molecular dynamics of liquid carbon disulphide

    Ackland, G. J. & Clark, S. J., 2001, In: Molecular Physics. 99, 10, p. 855-863 9 p.

    Research output: Contribution to journalArticlepeer-review

  16. Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB

    Clark, S. J., Ackland, G. J. & Crain, J., 1998, In: Europhysics Letters. 44, 5, p. 578-584 7 p.

    Research output: Contribution to journalArticlepeer-review

  17. Ab initio simulations in liquid caesium at high pressure and temperature

    Falconi, S. & Ackland, G., May 2006, In: Physical Review B: Condensed Matter and Materials Physics. 73, 18, p. - 7 p., 184204.

    Research output: Contribution to journalArticlepeer-review

  18. Ab initio studies of high-pressure structural transformations in silica

    Karki, B. B., Warren, M. C., Stixrude, L., Ackland, G. J. & Crain, J., 1997, In: Physical Review B: Condensed Matter and Materials Physics. 55, 6, p. 3465-3471 7 p.

    Research output: Contribution to journalArticlepeer-review

  19. Ab initio studies of high-pressure structural transformations in silica (vol 55, pg 3465, 1997)

    Karki, BB., Warren, MC., Stixrude, L., Ackland, GJ. & Crain, J., 1 Aug 1997, In: Physical Review B: Condensed Matter and Materials Physics. 56, 5, p. 2884-2884 1 p.

    Research output: Contribution to journalArticlepeer-review

  20. Ab initio studies of structural instabilities in magnesium silicate perovskite

    Warren, M. C. & Ackland, G. J., Mar 1996, In: Physics and Chemistry of Minerals. 23, 2, p. 107-118 12 p.

    Research output: Contribution to journalArticlepeer-review

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