Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

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  1. 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 journal › Article › peer-review

  2. 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 proceeding › Conference contribution

  3. DEFECT, SURFACE AND DISPLACEMENT-THRESHOLD PROPERTIES OF ALPHA-ZIRCONIUM SIMULATED WITH A MANY-BODY POTENTIAL

    ACKLAND, GJ., WOODING, SJ., BACON, DJ. & Ackland, G., Mar 1995, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 71, 3, p. 553-565 13 p.

    Research output: Contribution to journal › Article › peer-review

  4. EFFECT OF ORDERING ENERGY ON GRAIN-BOUNDARY STRUCTURE IN L12 ALLOYS

    ACKLAND, GJ., VITEK, N. V. & Ackland, G., 1989, HIGH-TEMPERATURE ORDERED INTERMETALLIC ALLOYS III. LIU, CT., TAUB, AI., STOLOFF, NS. & KOCH, CC. (eds.). PITTSBURGH: MATERIALS RESEARCH SOC, p. 105-111 7 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 133).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  5. VIBRATIONAL ENTROPY OF ORDERED AND DISORDERED ALLOYS

    ACKLAND, GJ. & Ackland, G., 1994, ALLOY MODELING & DESIGN. Stocks, GM. & Turchi, PEA. (eds.). WARRENDALE: MINERALS, METALS & MATERIALS SOC, p. 149-153 5 p.

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  6. VALIDITY OF THE 2ND MOMENT TIGHT-BINDING MODEL

    ACKLAND, GJ., FINNIS, MW., VITEK, N. V. & Ackland, G., Aug 1988, In: Journal of Physics F: Metal Physics. 18, 8, p. L153-L157 5 p.

    Research output: Contribution to journal › Letter › peer-review

  7. Two-band second moment model and an interatomic potential for caesium

    Ackland, G. & Reed, S. K., 1 May 2003, In: Physical Review B: Condensed Matter and Materials Physics. 67, 17, p. - 9 p., 174108.

    Research output: Contribution to journal › Article › peer-review

  8. Interatomic potential development

    Ackland, G. J., 2012, Comprehensive Nuclear Materials. Konings, RJM. (ed.). AMSTERDAM: Elsevier Science Limited, Vol. 1. p. 267-291 25 p.

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

  9. Temperature dependence in interatomic potentials and an improved potential for Ti

    Ackland, G. J., 2012, IUPAP C20 CONFERENCE ON COMPUTATIONAL PHYSICS (CCP 2011). Stocks, GM. & Troparevsky, MC. (eds.). BRISTOL: IOP Publishing Ltd., 9 p. (Journal of Physics Conference Series; vol. 402).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  10. Interpretation of cluster structures in terms of covalent bonding

    Ackland, G., 15 Aug 1991, In: Physical Review B: Condensed Matter and Materials Physics. 44, 8, p. 3900-3908 9 p.

    Research output: Contribution to journal › Article › peer-review

  11. Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals

    Ackland, G. & Finnis, M. W., 1986, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 54, 2, p. 301-315

    Research output: Contribution to journal › Article › peer-review

  12. Pack formation in cycling and orienteering

    Ackland, G., 13 Sep 2001, In: Nature. 413, 1, p. 127 1 p.

    Research output: Contribution to journal › Article › peer-review

  13. Emergent patterns in space and time from daisyworld: a simple evolving coupled biosphere-climate model

    Ackland, G. J. & Wood, A. J., 13 Jan 2010, In: Philosophical Transactions A: Mathematical, Physical and Engineering Sciences. 368, 1910, p. 161-179 19 p.

    Research output: Contribution to journal › Article › peer-review

  14. Hydrogenation induced carrier mobility polarity reversal in single layer AlN

    Ackland, G. & Zong, H., 27 Sep 2017, In: Physica Status Solidi (RRL).

    Research output: Contribution to journal › Article › peer-review

  15. Rapid Equilibration by algorithmic quenching the ringing mode in molecular dynamics

    Ackland, G., 23 May 2016, In: MRS Advances. p. 1-9 9 p.

    Research output: Contribution to journal › Article › peer-review

  16. Twenty five years of Finnis-Sinclair potentials

    Ackland, G., Sutton, A. & Vitek, V., 2009, In: Philosophical magazine. 89, 34-36, p. 3111-3116 6 p.

    Research output: Contribution to journal › Article › peer-review

  17. Evaluation of free energy differences between crystalline phases using the lattice-switch Monte Carlo method

    Ackland, GJ., Wilding, NB. & Bruce, AD., 1998, HIGH-PRESSURE MATERIALS RESEARCH. Wentzcovitch, RM., Hemley, RJ., Nellis, WJ. & Yu, PY. (eds.). WARRENDALE: Materials Research Society, p. 253-264 12 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 499).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  18. Calculation of free energies from ab initio calculation

    Ackland, GJ., 25 Mar 2002, In: Journal of Physics: Condensed Matter. 14, 11, p. 2975-3000 26 p., PII S0953-8984(02)27809-1.

    Research output: Contribution to journal › Article › peer-review

  19. Simulation of martensitic microstructure

    Ackland, G. J., 2005, In: Journal of Materials Science. 40, 12, p. 3205-3208 4 p.

    Research output: Contribution to journal › Article › peer-review

  20. Computer simulation of point defect properties in dilute Fe-Cu alloy using a many-body interatomic potential

    Ackland, G. J., Bacon, D. J., Calder, A. F. & Harry, T., Mar 1997, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 75, 3, p. 713-732 20 p.

    Research output: Contribution to journal › Article › peer-review

  21. DEVELOPMENT OF OXIDATION RESISTANT TITANIUM ALLOYS BY NIOBIUM ADDITION

    Ackland, G., Siemers, C., Tegner, B. E., Saksl, K., Brunke, F. & Kohnke, M., 2014, Proceedings of Metallurgical Society of CIM ( MetSoc ) 2014: Light metals Processing .

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  22. Evolution of microstructure in the bcc-hcp martensitic phase transition in zirconium

    Ackland, GJ. & Pinsook, U., 1998, MICROSCOPIC SIMULATION OF INTERFACIAL PHENOMENA IN SOLIDS AND LIQUIDS. Phillpot, Bristowe, PD., Stroud, DG. & Smith (eds.). WARRENDALE: Materials Research Society, p. 281-286 6 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 492).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  23. Development of an interatomic potential for phosphorus impurities in α-iron

    Ackland, G. J., Mendelev, M. I., Srolovitz, D. J., Han, S. & Barashev, A. V., 2004, In: Journal of Physics: Condensed Matter. 16, 27, p. S2629-S2642

    Research output: Contribution to journal › Article › peer-review

  24. Stability of CrSi 2 grown from the melt

    Ackland, G. J., 2005, In: Physical Review B: Condensed Matter and Materials Physics. 71, 1

    Research output: Contribution to journal › Article › peer-review

  25. Theory of High Pressure Phases of Group-IV and III–V Semiconductors

    Ackland, G. J., Jan 2001, In: physica status solidi (b). 223, 2, p. 361-368 8 p.

    Research output: Contribution to journal › Article › peer-review

  26. Controlling Radiation Damage

    Ackland, G., 26 Mar 2010, In: Science. 327, 5973, p. 1587-1588 2 p.

    Research output: Contribution to journal › Editorial › peer-review

  27. Practical methods in ab initio lattice dynamics

    Ackland, GJ., Warren, MC. & Clark, SJ., 15 Sep 1997, In: Journal of Physics: Condensed Matter. 9, 37, p. 7861-7872 12 p.

    Research output: Contribution to journal › Article › peer-review

  28. Semiempirical model of covalent bonding in silicon

    Ackland, G., 1989, In: Physical Review B. 40, 15, p. 10351-10355 5 p.

    Research output: Contribution to journal › Article › peer-review

  29. Total energy calculation for high pressure selenium: The origin of incommensurate modulations in Se IV and the instability of proposed Se II

    Ackland, G. J. & Fox, H., 2005, In: Journal of Physics: Condensed Matter. 17, 12, p. 1851-1859 9 p.

    Research output: Contribution to journal › Article › peer-review

  30. Theoretical study of the effect of point defects on the elastic constants of copper

    Ackland, G. J., 1988, In: Journal of Nuclear Materials. 152, 1, p. 53-63 11 p.

    Research output: Contribution to journal › Article › peer-review

  31. Pressure-induced symmetry breaking in tetrahedral networks

    Ackland, G. J., 15 Sep 1994, In: Physical Review B. 50, 11, p. 7389-7392 4 p.

    Research output: Contribution to journal › Article › peer-review

  32. Fermi surface effects in solid-solid phase transitions in simple metals under pressure

    Ackland, G., 2005, Solid-Solid Phase Transformations in Inorganic Material 2005, Vol 2. Howe, JM., Laughlin, DE., Lee, JK., Dahmen, U. & Soffa, WA. (eds.). WARRENDALE: MINERALS, METALS & MATERIALS SOC, p. 657-662 6 p.

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  33. Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen

    Ackland, G. & Magdau, I. B., 18 Jun 2015, In: Cogent Physics. 2, 12 p., 1049477.

    Research output: Contribution to journal › Article › peer-review

  34. Icosahedral (H2)13 supermolecule

    Ackland, G. & Martinez-Canales, M., 4 Sep 2018, In: Physical Review Materials. 2, 9

    Research output: Contribution to journal › Article › peer-review

  35. 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 journal › Article › peer-review

  36. Two disordered phases of the β-Tin structure in binary semiconductors

    Ackland, G. J., 2001, In: Physical Review Letters. 86, 23, p. 5301-5304 4 p.

    Research output: Contribution to journal › Article › peer-review

  37. Twinning deformation in martensite microstructure

    Ackland, G. J. & Pinsook, U., 2000, p. 417-422. 6 p.

    Research output: Contribution to conference › Other

  38. High-pressure phases of group IV and III-V semiconductors

    Ackland, G. J., 2001, In: Reports on Progress in Physics. 64, 4, p. 483-516 34 p.

    Research output: Contribution to journal › Article › peer-review

  39. Stability of CrSi2 grown from the melt

    Ackland, G., Jan 2005, In: Physical Review B: Condensed Matter and Materials Physics. 71, 1, p. - 2 p., 012106.

    Research output: Contribution to journal › Article › peer-review

  40. Molecular dynamics simulations of the martensitic phase transition process

    Ackland, G. J., Jones, A. P. & Noble-Eddy, R., 25 May 2008, In: Materials science and engineering a-Structural materials properties microstructure and processing. 481, p. 11-17 7 p.

    Research output: Contribution to journal › Article › peer-review

  41. Boom and bust in continuous time evolving economic model

    Ackland, G. & Mitchell, L., Aug 2009, In: European Physical Journal B. 70, 4, p. 567-573 7 p.

    Research output: Contribution to journal › Article › peer-review

  42. Quantum and isotope effects in lithium metal

    Ackland, G. J., Dunuwille, M., Martinez-Canales, M., Loa, I., Zhang, R., Sinogeikin, S., Cai, W. & Deemyad, S., 23 Jun 2017, In: Science. 356, 6344, p. 1254-1259 6 p.

    Research output: Contribution to journal › Article › peer-review

  43. Bearing down on hydrogen

    Ackland, G. J., 26 Jun 2015, In: Science. 348, 6242, p. 1429-1430 2 p.

    Research output: Contribution to journal › Editorial › peer-review

  44. Embrittlement and the bistable crystal structure of zirconium hydride

    Ackland, GJ., 9 Mar 1998, In: Physical Review Letters. 80, 10, p. 2233-2236 4 p.

    Research output: Contribution to journal › Article › peer-review

  45. Simple N-body potentials for the noble metals and nickel

    Ackland, G., Vitek, V., Tichy, G. & Finnis, M. W., Dec 1987, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 56, 6, p. 735-756 22 p.

    Research output: Contribution to journal › Article › peer-review

  46. Embrittlement and the bistable crystal structure of zirconium hydride - Ackland replies

    Ackland, GJ., 12 Oct 1998, In: Physical Review Letters. 81, 15, p. 3301-3301 1 p.

    Research output: Contribution to journal › Article › peer-review

  47. First principles calculations of defects in unstable crystals: Austenitic iron

    Ackland, G. J., Klaver, T. P. C. & Hepburn, D. J., 2011, p. 55-66. 12 p.

    Research output: Contribution to conference › Other

  48. Soft-mode phase transitions from first principles

    Ackland, G. J. & Warren, M. C., 1997, In: Phase transitions. 61, 1-4 SEC. B, p. 215-223 9 p.

    Research output: Contribution to journal › Article › peer-review

  49. An improved N-body semi-empirical model for body-centred cubic transition metals

    Ackland, G. & THETFORD, R., Feb 1987, In: Philosophical magazine. 56, p. 15-30

    Research output: Contribution to journal › Article › peer-review

  50. Maximization principles and daisyworld

    Ackland, G., 7 Mar 2004, In: Journal of Theoretical Biology. 227, 1, p. 121-128 8 p.

    Research output: Contribution to journal › Article › peer-review

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