Publications by Graeme Ackland

Refereed Journal Papers

• "Semi-empirical calculation of solid surface tensions in b.c.c. transition metals" G.J.Ackland and M.W.Finnis, Phil.Mag.A 54, 301. (1986)

• "An improved N-body semi-empirical model for b.c.c. transition metals" G.J.Ackland and R.Thetford, Phil.Mag.A, 56, 15. (1987)

• "Simple N-body potentials for the noble metals and nickel" G.J.Ackland, G.I.Tichy, V.Vitek, and M.W.Finnis, Phil.Mag.A, 56, 735. (1987)

• "Theoretical Study of the effect of point defects on the elastic constants of copper" G.J.Ackland, J.Nucl.Mater. 152, 53, (1988)

• "Validity of the second-moment tight-binding model" G.J.Ackland, M.W.Finnis, and V.Vitek, J.Phys.F 18, L153. (1988)

• "A semi-empirical model of covalent bonding in silicon" G.J.Ackland, Phys.Rev.B, 40, 10351. (1989)

• "Many-body potentials and atomic scale relaxations in noble metal alloys" G.J.Ackland, and V.Vitek, Phys.Rev.B, 41, 10324. (1990)

• "On the stability of random cubic alloys" G.J.Ackland and V.Vitek, Phil.Mag.B, 62, 149. (1990)

• "Interpretation of silicon cluster structures in terms of covalent bonding" G.J.Ackland, Phys.Rev.B, 44, 3900. (1991)

• "A dynamic mechanism for retrograde solid solubility" G.J.Ackland, Phil.Mag.Letters, 64, 15. (1991)

• "Dynamics of Bond-Diluted Ising Magnets" K.A.Hawick, W.C-K.Poon and G.J.Ackland, Journal of Magnetism and Magnetic Materials, 104, 423. (1992)

• "Calculated Energies and Relaxations of the Low Index Planes of Ordered Cu3Au", W.E.Wallace, and G.J.Ackland, Surf.Sci.Letters, 275, L685. (1992)

• "Theoretical study of titanium surfaces and defects with a new many-body potential" G.J.Ackland, Phil.Mag.A, 66, 917. (1992)

• "A Molecular Dynamics Study of Vitrification and Amorphization Employing Many-Body Potentials for CuTi2 Intermetallic Alloy", D.T.Kulp, G.J.Ackland, M.M.Sob, V.Vitek and T.Egami, Modelling and Simulation in Materials Science and Engineering, 1, 315 (1992).

• "Calculating Defect Energies in Alloys: Point Defect and Displacement Energies in Ni3Al" F.Gao, D.J.Bacon, and G.J.Ackland, Phil.Mag.A, 67, 275. (1993)

• "Phase Transition-induced Defect Formation in III-V Semiconductors" J.Crain, G.J.Ackland, R.O.Piltz and P.D.Hatton, Phys.Rev.Letters 70, 814. (1993)

• "Interatomic Forces and Atomic Structure of Grain Boundaries in Copper-Bismuth Alloys" Min Yan, M.Sob, G.J.Ackland, D.E.Luzzi, V.Vitek, M.Methfessel and C.O.Rodriguez, Phys.Rev.B, 47, 5571 (1993)

• "Equipartition and finite-size effects in 1d closed systems" G.J.Ackland, Phys.Rev.E, 47, 3268 (1993).

• "Vibrational and elastic effects of point defects in silicon" S.J.Clark and G.J.Ackland, Phys.Rev.B, 48, 10899 (1993).

• Theoretical study of selenium I under high pressure" H.Akbarzadeh, S.J.Clark and G.J.Ackland, J.Phys.CM, 5, 43, 8065, (1993).

• "Theoretical study of high-density phases of covalent semiconductors I. Ab initio treatment". J.Crain, S.J.Clark, G.J.Ackland, M.C.Payne, V.Milman, P.D.Hatton, and B.J.Reid Phys.Rev.B, 49, 5329 (1994).

• "Theoretical study of high-density phases of covalent semiconductors II. Empirical treatment" S.J.Clark, G.J.Ackland, and J.Crain, Phys.Rev.B, 49, 5341, (1994)

• "Very low energy surface of silicon" S.J.Clark, G.J.Ackland, J.Crain and M.C.Payne, Phys.Rev.B, 50, 5728 (1994)

• "Tetrahedral Structures and Phase Transitions in III-V Semiconductors" J.Crain, R.O.Piltz, G.J.Ackland, S.J.Clark, M.C.Payne, V.Milman, J.S.Lin, P.D.Hatton and Y.H.Nam, Phys.Rev.B, 50, 8389 (1994)

• "Pressure induced symmetry breaking in tetrahedral networks" G.J.Ackland, Phys.Rev.B, 50, 7389 (1994).

• "Reversible pressure-induced structural transitions between metastable phases of silicon" J.Crain, G.J.Ackland, J.R.Maclean, R.O.Piltz, P.D.Hatton and G.S.Pawley, Phys.Rev.B, 50, 13043 (1994).

• "A theoretical study of pressure effects on selenium" S.J.Clark, G.J.Ackland and H.Akbarzadeh, J.Phys.Chem. Solids, 56, 329 (1995)

• "Dense tetrahedral structures of compound semiconductors" J.Crain, S.J.Clark and G.J.Ackland, J.Phys.Chem. Solids, 56, 495 (1995)

• "Defect, surface and displacement-threshold properties in alpha-zirconium simulated with a many-body potential" G.J.Ackland, S.J.Wooding and D.J.Bacon, Phil. Mag. A 71 553-565 (1995)

• "The Structure and Properties of Silicon XII: A Complex Tetrahedrally-bonded Phase" R.O.Piltz, J.R.Maclean, S.J.Clark, G.J.Ackland, P.D.Hatton and J.Crain Phys.Rev.B 52, 4072 (1995)

• "Pressure-induced polymorphism in CuCl: An ab initio study" H-C Hsueh, J.R.Maclean, G.Y.Guo, M-H. Lee, S.J.Clark, G.J.Ackland and and J.Crain, Phys.Rev.B 51 12216 (1995)

• "High-Pressure effects in the layered semiconductor Germanium Selenide" H-C Hsueh, H.Vass, S.J.Clark, G.J.Ackland and J.Crain. Phys.Rev.B 51, 16750 (1995)

• " Theoretical stability limit of diamond at ultrahigh pressure " S.J.Clark, G.J.Ackland and J.Crain. Phys.Rev.B 52, 15035-8 (1995)

• "Exotic Structures of tetrahedral semiconductors"> J.Crain, G.J.Ackland and S.J.Clark, Reports on Progress in Physics, 58, 7, 705 (1995)

• "Ab initio studies of structural instabilities in magnesium silicate perovskite" M.C.Warren and G.J.Ackland, Phys. Chem. Minerals 23, 107-118 (1996).

• "Vibrational properties of the layered semiconducting germanium sulfide under hydrostatic pressure" H.C.Hsueh, M.C.Warren, H.Vass, G.J.Ackland, S.J.Clark and J.Crain, Phys.Rev.B 53 14806--14817 (1996)

• "Pressure-induced thermodynamic properties of atom-vacancy solid solution" D.Fuks, S.Dorfman and G.J.Ackland, Phys.Rev.B, 54 9726-9 (1996)

• "Ab initio studies of high-pressure structural transformations in silica" B.B.Karki, M.C.Warren, L.Stixrude,, G.J.Ackland, and J.Crain Phys.Rev.B 55 3465 (1997)

• "Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB" S.J.Clark, C.J.Adam, G.J.Ackland, and J.Crain, Molecular Crystals and Liquid Crystals Science and Technology A - Molecular Crystals and Liquid Crystals, 299, 39 (1997)

• "Soft-mode phase transitions from first principles" G.J.Ackland and M.C.Warren, Phase Transitions, 61, 215 (1997).

• " Ab initio elasticity and lattice dynamics of AgGaSe2 " B.B.Karki, S.J.Clark, M.C.Warren, H.C.Hsueh, G.J.Ackland and J.Crain J. Phys. C., 9 375 (1997)

• "Structure and elasticity of MgO at high pressure" B.B.Karki, L.Stixrude, S.J.Clark, M.C.Warren, G.J.Ackland and J.Crain, American Mineralogist, 82, 52-61 (1997).

• "Computer simulation of Point Defect Properties in dilute Fe-Cu alloy using a many-body interatomic potential" G.J.Ackland, D.J.Bacon, A.F.Calder and T.Harry Phil.Mag.A, 75 713-732 (1997)

• "Comparison of bonding in amorphous silicon and carbon" S.J.Clark, G.J.Ackland and J.Crain Phys.Rev.B 55, 14059 (1997)

• initio calculations of the self interstitial in silicon" S.J.Clark and G.J.Ackland Phys.Rev.B 56, 47 (1997)

• "Structural and vibrational properties of large molecules from first principles: application to 5CB" S.J.Clark, C.J.Adam, J.A.White, G.J.Ackland and J.Crain Liquid Crystals 22 469 (1997)

• "Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles" C.J.Adam, S.J.Clark, G.J.Ackland and J.Crain Phys.Rev.E 55, 5641, 1997.

• "Elastic properties of orthorhombic MgSiO_3 perovskite at lower mantle pressures" B.B.Karki, L.Stixrude, S.J.Clark, M.C.Warren, G.J.Ackland and J.Crain, Am. Mineral. 82, 635-638, 1997.

• "Practical methods in ab initio lattice dynamics" G.J.Ackland, M.C.Warren and S.J.Clark J.Phys.CM, 9, 37 p7861-7872 (1997)

• " Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB " S.J. Clark, C. Adam, G.J. Ackland and J. Crain Mol. Cryst. and Liq. Cryst. Sci & Tech 299, 39 (1997):

• "Free energies of crystalline solids: a lattice-switch Monte Carlo method" A.D. Bruce, N.B. Wilding and G.J. Ackland, Phys.Rev.Letters, 79, 3002, (1997)

• "Electronic structure calculations of liquid crystal molecules: Application to chiral solutes." S.J.Clark, G.J.Ackland, and J.Crain, Liquid Crystals: Physics, Technology and Applications, 1998, Vol.3318, Ch.99, pp.166-170 (1998)

• "Elastic instabilities in crystals from ab initio stress-strain relations" B.B.Karki, G.J.Ackland and J.Crain, J.Phys.CM vol 9, 41 p8579-8589 (1997)

• "Stability and electronic structure of the cinnabar phase in GaAs" A.A.Kelsey, G.J.Ackland and S.J.Clark, Phys.Rev.B 57, 4, R2029 (1998)

• "High pressure semiconductor - semimetal transition in TiS_2" D.R.Allan, A.A.Kelsey, S.J.Clark, R.J.Angel and G.J.Ackland Phys.Rev.B 57, 9, 5106 (1998)

• "Embrittlement and the bistable crystal structure of zirconium hydride" G.J.Ackland, Phys.Rev.Letters, 80, 2233 (1998)

• Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB Clark,S.J., Ackland,G.J., Crain,J. Europhysics Letters, 44, 5, 578-584 (1998)

• "Transferability of liquid crystal intra-molecular potentials" C.J. Adam, S.J. Clark, M.R. Wilson, J. Crain and G.J.Ackland Molecular Physics, 93, 947 (1998)

• "Dynamic overshoot in alpha-iron by atomistic simulations" A. Machova and G.J.Ackland Modelling and Simulation in Materials Science and Engineering. 6, 521 (1998)

• "Compression mechanisms in quasimolecular XI3 (X = As, Sb, Bi) solids" Hsueh HC, Chen RK, Vass H, Clark SJ, Ackland GJ, Poon WCK and Crain J Physical Review B, 58, 22, pp.14812-14822, (1998)

• "Phase transitions in silicate perovskites from first principles." M.C.Warren, G.J.Ackland, B.B.Karki and S.J.Clark. Mineralogical Magazine, 62, pp 585-598 (1998).

• "Simulation of martensitic microstructural evolution in zirconium" U.Pinsook and G.J.Ackland, Phys.Rev.B, 58, 11252-57 (1998)

• "Structure of crystalline methanol at high pressure" D.R.Allan, S.J.Clark, M.J.P.Brugmans, G.J.Ackland and W.L.Vos, Phys.Rev.B, 58,18, pp.11809-11812 (1998)

• "Simulation of microscopic strain in semiconducting heterojunctions" A.A.Kelsey and G.J.Ackland, Modelling and Simulation in Materials Science and Engineering, 7, 311-320 (1999)

• "Calculation of anomalous phonons and the hcp-bcc phase transition in zirconium" U.Pinsook and G.J.Ackland Phys Rev.B 59, 13642-13649 (1999)

• "A first principles and mean field investigation of the conformational properties of 5CB" C.J.Adam, A.Ferrarini, M.R.Wilson, G.J.Ackland and J.Crain Molecular Phys. 97 541-550 (1999)

• "Short time reorientational processes in molecular fluids" S.J.Clark, P.R.L.Markwick, G.J.Ackland and J. Crain Europhys.Lett 49, 1, 34 (2000)

• "Local size segregation in polydisperse hard sphere fluids" I. Pagonabarraga, M.E. Cates and G.J. Ackland Phys Rev Letters, 84, 911, (2000)

• "The Lattice Switch Monte Carlo method" A.D.Bruce, A.N.Jackson, G.J. Ackland and N.B.Wilding Phys Rev E, 61, 906, (2000)

• "How efficiently do hard rods sample phase space?" S.G.Cox and G.J.Ackland, Phys.Rev.Letters, 84, 2362 (2000)

• "Theoretical and computational study of high pressure structures in barium" S.K.Reed and G.J.Ackland Phys Rev Letters, 84, 5580, (2000)

• "Computational analysis of the high pressure structures of InSb" A.A.Kelsey and G.J.Ackland J.Phys.CM, 12, 32, (2000)

• "Atomistic simulation of shear in a martensitic twinned microstructure" U.Pinsook and G.J.Ackland Phys Rev.B 62 5427 (2000)

• "Interaction between metallic p orbitals and the pi orbitals of organic molecules: The binding between ethylene and aluminum" E.M.King, S.J.Clark, C.Verdozzi and G.J.Ackland J.Phys.Chem. B 105 641-645 (2001)

• "High Pressure Phases of Group IV and III-V Semiconductors" G.J.Ackland Rep.Prog.Physics 64, 483-517 (2001)

• "Ab initio molecular dynamics of liquid carbon disulphide" G.J.Ackland and S.J.Clark, Mol.Phys. 99, 855 (2001)

• "Theory of high pressure phases of Group IV and III-V semiconductors" G.J. Ackland, physica status solidi 223, 361 (2001)

• " Phase Transitions of Copper Precipitates in Fe-Cu Alloys" J.J.Blackstock and G.J.Ackland, Phil.Mag.A, 81, 2127-48 (2001)

• "The two disordered phases of the beta-tin structure in binary semiconductors" G.J.Ackland, Phys.Rev.Letters, 86 5301 (2001)

• "Pack formation in cycling and orienteering" G.J.Ackland and D.Butler, Nature, 413, 127 (2001)

• "First principles equations of state for simulations of shock waves" D C Swift, G J Ackland, A. Hauer and G. A. Kyrala Phys.Rev.B 64, 214107 (2001)

• "Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials" N D Drummond and G J Ackland Phys.Rev.B 65, 184104 (2002)

• "Calculation of free energies from ab initio calculation" G.J.Ackland, J.Phys.CM, 14, 2975 (2002)

• "Lattice-switch Monte Carlo method: Application to soft potentials" Jackson AN, Bruce AD, Ackland GJ Phys Rev E 65 (3) 036710 (2002)

• "High pressure instrumentation: Low and negative pressures" Dunstan DJ, Van Uden NWA, Ackland GJ High. Pressure. Res. 22 (3-4): 773-778 (2002)

• "Devil's staircase in kinetically limited growth" Ackland GJ Phys Rev E 66 (4) 041605 (2002)

• Self-interstitials in V and Mo, Han S, Zepeda-Ruiz LA, Ackland GJ, Car R, Srolovitz DJ Phys Rev B 66 (22): . 220101 (2002)

• Interatomic potential for vanadium suitable for radiation damage simulations Han SW, Zepeda-Ruiz LA, Ackland GJ, Car R, Srolovitz DJ J Appl Phys 93 (6): 3328-3335 2003

• First-principles study of the structural energetics of PdTi and PtTi Huang X, Rabe KM, Ackland GJ Phys Rev B 67 (2): 024101 (2003)

• "Crystal Structures and shape memory behaviour of NiTi" Huang X, Rabe KM, Ackland GJ Nature materials 2 307-311 (2003)

• "Catastrophic Desert formation in Daisyworld" G.J.Ackland, M.Clark and T.M.Lenton, J.Theo.Biology 223 39-44(2003)

• "Quantum mechanical predictions of nonscalar equations of state and nonmonotonic elastic stress-strain relations." D.Swift and G.J.Ackland Applied Physics Letters vol 83 no 6 pp 1151-3 (2003)

• "Two-band second moment model and an interatomic potential for caesium" Ackland GJ, Reed SK Phys Rev B 67 174108 2003

• "First-principles thermodynamics of transition metals: W, NiAl, PdTi" G.J. Ackland, X Huang, and K. M. Rabe Phys.Rev.B 68 214104 (2004)

• Maximisation Principles and Daisyworld G.J. Ackland J.Theo.Bio. 227, 121, (2004)

• "Development of New Interatomic Potentials Appropriate for Crystalline and Liquid Iron", Mendelev M.I., Han S., Srolovitz D.J., Ackland G.J., Sun D.Y. and Asta M., Phil. Mag. A, 2003, v.83, pp. 3977-3994.

• "ab initio and empirical potential description of point defects in phosphorus doped iron". G.J.Ackland, M.I.Mendelev, D.J.Srolovitz, S.Han and A.V.Barashev J.Phys.CM 16 S2629 (2004)

• "Strongly non-Arrhenius self-interstitial diffusion in vanadium" L A. Zepeda-Ruiz, J Rottler, S Han, GJ. Ackland, R.Car, and David J. Srolovitz Phys. Rev. B 70, 060102(R) (2004)

• "Origin of the complex crystal structures of elements at intermediate pressure" G.J.Ackland, and I.R.MacLeod New J.Phys 6 138 (2004)

• Stabilization of large generalized Lotka-Volterra foodwebs by evolutionary feedback Ackland GJ, Gallagher ID Phys Rev Lett 93 (15): 158701 2004

• Performance of an ab initio equation of state for magnesium oxide Luo SN, Swift DC, Mulford RN, Drummond ND and Ackland GJ J Phys-CM 16 (30): 5435-5442 2004

• "Stability of CrSi2 grown from the melt" G.J.Ackland, Phys. Rev. B 71, 012106 (2005)

• "Total energy calculation of high pressure selenium: The origin of incommensurate modulations in Se-IV and the instability of proposed Se-II" Ackland GJ and Fox H J. Phys.: Condens. Matter 17 (2005) 1851-1859.

• "Simulation of Martensitic microstructure" G.J.Ackland Journal of Materials Science 40, 12 3205 - 3208 (2005)

• Thermodynamically complete equations of state for nickel-titanium alloy D.C. Swift, J. G. Niemczura, D. L. Paisley, R.P. Johnson, A.Hauer R. E. Hackenberg, J.Cooley, D.Thoma and G.J. Ackland Journal of Applied Physics 98, 093512

• "Atomistic Simulation of Grain Boundary Migration in Al". M.I.Mendelev, D.J.Srolovitz, G.J.Ackland, S.Han and J.R.Morris Phys.Rev.B (submitted)

• "Effect of Fe Segregation on the migration of a Non-symmetric sigma-5 tilt Grain Boundary in Al". M.I.Mendelev, D.J.Srolovitz, G.J.Ackland and S.Han Journal of Materials Research 20 208 (2005)

• "The effect of pack formation at the 2005 world orienteering championships" G.J.Ackland Scientific Journal of Orienteering 17 12 (2005)

• "Structure of an amphiphilic lattice gas, and its relationship to microclustering of methanol in water" Ackland GJ, and Guerin JA Phys Rev E 73 021504 (2006)

• "Applications of local crystal structure measures in experiment and simulation" Ackland GJ, and Jones AP Phys Rev B 73 054104 (2006)

• "Microscopic model of diffusion limited aggregation and electrodeposition in the presence of leveling molecules" Ackland GJ, Tweedie ES Phys Rev E 73 011606 (2006)

• "Ab initio simulations in liquid caesium at high pressure and temperature" S. Falconi and G. J. Ackland Phys. Rev. B 73, 184204 (2006)

• Two-band second moment model for transition metals and alloys. G. J. Ackland Journal of Nuclear Materials 351, 1-3, 20-27 (2006)

• "Magnetically induced immiscibility in the Ising model of FeCr stainless steel" G.J. Ackland Phys. Rev. Lett. 97, 015502 (2006)

• "Constrained dynamics and extraction of normal modes from ab initio molecular dynamics" M.M. Siddick, G.J. Ackland, and C.A. Morrison Journal of Chemical Physics, 125 064707 (2006)

• Mutation of albedo and growth response produces oscillations in a spatial Daisyworld Wood AJ, Ackland GJ, Lenton TM , J.Theoretical Biology 242 188 (2006)

• "Development of an interatomic potential appropriate for simulation of phase transformations in zirconium" M.I.Mendelev and G.J.Ackland Phil Mag Letters 87 349-359 (2007)

• Evolving the selfish herd: emergence of distinct aggregating strategies in an individual-based model. Wood AJ and Ackland GJ Proc.Roy.Soc.B 274 1637-1642 (2007)

• Cultural hitchhiking on the wave of advance of beneficial technologies G J. Ackland, M Signitzer, K Stratford and M H. Cohen, PNAS, 2007 104 21 8714-8719 (2007)

• The equation of state of solid nickel aluminide D.C.Swift, D.L.Paisley, K.J.McClellan and G.J.Ackland Phys.Rev.B 76 13 134111 (2007)

• "Lattice-switch Monte Carlo for binary hard-sphere crystals" A.N. Jackson, G.J. Ackland Phys. Rev. E 76, 066703 (2007)

• "Strategy bifurcation and spatial inhomogeneity in a simple model of competing sellers" L. Mitchell and G. J. Ackland Europhysics Letters 79 48003 (2007)

• "Simulation of the interaction between Fe impurities and point defects in V" M.I.Mendelev, S.W.Han, W.Son G.J.Ackland and D.J.Srolovitz Phys.Rev.B 76 214105 (2007)

• Daisyworld: A review, Rev. Geophys, 46, RG1001, doi:10.1029/2006RG000217. Wood, A. J., G. J. Ackland, J. G. Dyke, H. T. P. Williams, and T. M. Lenton (2008),
• Origin of incommensurate modulations in the high-pressure phosphorus IV phase M. Marques, G. J. Ackland, L. F. Lundegaard, S. Falconi, C. Hejny, and M. I. McMahon J. Contreras-Garcia and M. Hanfland Phys.Rev.B 78 054120 (2008)
• "Molecular dynamics simulations of the martensitic phase transition process" G.J.Ackland A.P.Jones and R.Noble-Eddy Materials Science and Engineering A 481-482, 11 (2008)
• "The phonon spectrum of phase-I ammonia: reassignment of lattice mode symmetries from combined molecular and lattice dynamics calculations" AM Reilly, DS Middlemiss, MM Siddick, DA Wann, GJ Ackland, CC Wilson, DWH Rankin, and CA Morrison, J.Phys.Chem 112, 1322 (2008)
• "Metallic-covalent interatomic potential for carbon in iron" D.J.Hepburn and G.J.Ackland Physical Review B, 78, 16, 165115 (2008)
• Mesoscale kinetics produces martensitic microstructure O.Kastner and G.J.Ackland Journal of the Mechanics and Physics of Solids, 57 109-121 (2009),
• Ordered sigma-type phase in the Ising model of Fe-Cr stainless steel Ackland, GJ Phys Rev B 79 9 094202 (2009)
• Nature and stability of ice X Marques, M; Ackland, GJ; Loveday, JS High Pressure Research 29 2 208-211 (2009)
• Observation of the oP8 crystal structure in potassium at high pressure Lundegaard LF, Marques M, Stinton G, Ackland GJ, Nelmes RJ, McMahon MI Phys Rev B 80 020101 (2009)
• Boom and bust in continuous time evolving economic model Mitchell, L and Ackland, GJ European Physical Journal B 70 4 567-573 (2009)
• Rescaled potentials for transition metal solutes in alpha-iron D.J.Hepburn, G.J. Ackland and P.Olsson Phil.Mag 89 34-36 3393 (2009)
• Potassium under Pressure: A Pseudobinary Ionic Compound Marques M, Ackland GJ, Lundegaard LF, Stinton G, Nelmes RJ, McMahon MI and Contreras-Garcia J Physical Review Letters 103, 11, 115501 (2009)
• Emergent patterns in space and time from daisyworld: a simple evolving coupled biosphere-climate model Ackland, GJ and Wood, AJ Phil.Trans.Roy.Society A-Mathematical Physical and Engineering Sciences 368 1910 161-179 (2010)
• Controlling Radiation Damage Graeme Ackland, Science 327 5973 1587 (2010)
• Income and poverty in a developing economy A. K. Chattopadhyay, G. J. Ackland and S. K. Mallick Europhysics Letters, 91 58003 (2010)
• Aluminium: Simple metal no more McMahon, MI and Ackland, GJ Nature Materials 9, 8 607 (2010)
• "Ab initio calculations and interatomic potentials for iron and iron alloys: achievements within the PERFECT project" J.Nucl.Mater. . L.Malerba, G.J.Ackland et al 406, 1, 7 (2010)
• Effects of local interaction and dispersal on the dynamics of size-structured populations Thomas Adams, Graeme Ackland, Glenn Marion, Colin Edwards DOI: 10.1016/j.ecolmodel.2011.02.006 Ecol.Modelling (2011)
• Understanding plantation transformation using a size-structured spatial population model Thomas Adams, Graeme Ackland, Glenn Marion, Colin Edwards Forest Ecology and Management 261 799-809 (2011)
• Crystal Structures of Dense Lithium: A Metal-Semiconductor-Metal Transition M Marques, MI McMahon, E Gregoryanz, GJ Ackland et al. Phys.Rev.Letters 106 9 095502 (2011)
• The MOLDY short-range molecular dynamics package GJ Ackland, K D'Mellow, SL Daraszewicz, DJ Hepburn, M Uhrin and K.Stratford Computer Physics Communications, 182 2587 (2011)
• Boundaries between Ancient Cultures: Origins and persistence M.H.Cohen, and G.J.Ackland Advances in Complex Systems, 14, 6 (2011)
• Molecular dynamics simulation study of microstructure evolution during cyclic martensitic transformations O Kastner, G Eggeler, W Weiss, G.J. Ackland, J. Mech Phys. Solids 59 9 1888 (2011)
• Twinning hierarchy, shape memory, and superelasticity demonstrated by molecular dynamics M. Zelazny, R.Richardson, G.J. Ackland Phys.Rev.B 84 144113 (2011)

• Mass-radius relationships for exoplanets Damian Swift, Jon Eggert, Damien Hicks, Sebastien Hamel, Kyle Caspersen, Eric Schwegler, Gilbert Collins, Nadine Nettelmann and Graeme Ackland

Lattice dynamics of dense lithium F. A. Gorelli, S. F. Elatresh, C. L. Guillaume, M. Marques, G. J. Ackland, M. Santoro, S. A. Bonev, and E. Gregoryanz Physical Review Letters 108, 055501 (2012)
• Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys: an ab initio study T.P.C. Klaver, D.J. Hepburn, G.J. Ackland submitted to PRB

• Proceedings and Other Publications

  • "Non-pairwise potentials and defect modelling for transition metals" G.J.Ackland, D.Phil Thesis, University of Oxford, (1987)

  • "Application of many-body potentials to noble metal alloys" G.J.Ackland and V.Vitek in `Atomistic modelling of materials: beyond pair potentials'. Proceedings of the World Materials Congress. (1988)

  • "Effect of ordering energy on grain boundary structure in L12 alloys" G.J.Ackland and V.Vitek in `High-temperature ordered intermetallic alloys' MRS.Symp.Proc. 133, 105. (1988)

  • "A pair-potential model of covalent bonding in silicon" G.J.Ackland and V.Vitek, in Many-atom interactions in solids, ed. M.J.Puska, Springer-Verlag, Berlin. (1990)

  • "Atomic structure of grain boundaries in ordered and disordered binary alloys" V.Vitek, G.J.Ackland, M.Meynhard and Min Yan Procedings Indo-US Workshop on Interfaces: Structure and Properties, Bangalore, December 1989. Oxford Press Comp. Delhi. p258. (1991)

  • "Atomistic Modeling of extended defects in metallic alloys: Dislocations and grain boundaries in L12 compounds" V.Vitek, G.J.Ackland and J.Cserti, MRS.Symp.Proc., 186, 237. (1991)

  • "Atomic Structure and Chemical Composition of Grain Boundaries in L12 Intermetallic Compounds: Relation to Intergranular Brittleness" Min Yan, Vitek,V. and Ackland,G.J., 1992, Proceedings of the NATO Symposium on Intermetallic Compounds. Irsee.

  • "Image Plate Studies of Tetrahedral Semiconductors Under Pressure: Implications for Experiment and Theory" J.Crain, G.J.Ackland, P.D.Hatton, M.I.McMahon, R.J.Nelmes and R.O.Piltz, High Pressure Semiconductor Physics (Kyoto). (1992)

  • "Structure of Grain Boundaries in L12 Alloys at finite temperatures: Effects of deviations from stoichiometry" Min Yan, V.Vitek and G.J.Ackland, Structure and Properties of Interfaces in Materials, MRS Symp.Proc., 238, 139, (1992)

  • "The Embedded Atom Method and Related Techniques" (Review Article) G.J.Ackland, Encyclopedia of Materials Science and Engineering, Volume 3 eds R.W.Cahn and M.B.Bever p1667 Pergamon, Oxford. (1993)

  • "Vibrational Entropy of ordered and disordered alloys" G.J.Ackland, in Alloy Modeling and Design, edited by G. M. Stocks and F. E. A. Turchi (The Minerals, Metals, and Materials Society, Warrendale, PA, 1994), p. 149.

  • "The Embedded Atom Method and Related Techniques" (Review Article) G.J.Ackland, Encyclopedia of Advanced Materials eds D.Bloor, R.J.Brook, M.C.Flemings and S.Mahajan Pergamon, Oxford. (1994)

  • "Molecular Dynamic Simulations Of Microcrack Growth in Iron", MRS Symp.Proc. W8.37 (Spring 1996) Anna Machova and Graeme J. Ackland,

  • High-pressure simulations of atom-vacancy solid solution Fuks,D., Dorfman,S., Ackland,G.J. Defect and Diffusion Forum, 1997, 143, 1, pp.161-164

  • "First principles molecular dynamics" (Invited review) Proceedings of New Models and Numerical Codes for Shock Wave Processes in Condensed Media held at Oxford, September 1997

  • "Evolution of microstructure in the bcc-hcp martensitic phase transition in zirconium." G.J.Ackland and U.Pinsook, MRS Symp.Proc., S7.7 (1997)

  • "Evaluation of free energy differences between crystalline phases using the lattice-switch Monte Carlo method" G.J.Ackland, N.B.Wilding and A.D.Bruce MRS Symp.Proc. 499, 253 (1997)

  Electronic structure calculations of liquid crystal molecules: Application to chiral solutes. Clark, SJ; Ackland, GJ; Crain, J Conference on Liquid Crystals - Physics, Technology and Applications, MAR 03-08, 1997 ZAKOPANE POLAND Editor(s): Rutkowska J, Klosowicz SJ, Zielinski J, Zmija J SPIE LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS 3318 166-170 (1998)
  • "Ab initio predictions of material properties compared with time resolved crystallography of laser-shocked silicon" D.C.Swift, G.J.Ackland, A.Hauer, J.S.Wark, D.H.Kalantar, G.A.Kyrala and R.Kopp 40th APS Plasma Physics Group meeting , New Orleans LA USA 16-20 Nov (1998)

  • "New Vistas for First-Principles Simulation" G.J. Ackland, D. Bird, P. Bristowe, M.W. Finnis, M.J. Gillan, N.M. Harrison, V. Heine, P.A. Madden, M.C. Payne, and A.P. Sutton Proceedings of the HPCI98 , Manchester 1998.

  • "Temporal Embedding" G.J.Ackland and C.Verdozzi MRS Symp.Proc D3 (1999) Structural phase transitions in calcium: A first principle calculation Ahulwalia, PK; Clark, SJ and Ackland, GJ 41st DAE Solid State Physics Symposium, DEC 27-31, 1998 KURUKSHETRA UNIV KURUKSHETRA INDIA SOLID STATE PHYSICS, VOL 41, 1998 147-148 (1999)

  • " Twinning Deformation in Martensite Microstructure" G.J.Ackland and U.Pinsook MRS Symp.Proc (1999)

  • "Elastic Properties as a pointer to phase transitions" G.J.Ackland, RIKEN review 29, 34 (2000)

  • Stress instabilities in uniaxial compression, D.C. Swift and G.J. Ackland, LA-UR-00-2654 (2000).

  • "First Principles predictions of the mechanical properties of nickel-titanium alloy" D.C.Swift and G.J.Ackland Los Alamos NL report LAUR-00-5049 (2000)

  • "First Principles predictions of the cold curve of nickel-aluminium alloy in the CsCl structure" D.C.Swift and G.J.Ackland Los Alamos NL report LAUR-01-4689 (2001)

  • Climate-biosphere coupling in desert formation G.J.Ackland APS 2002 Lay language paper

  • "Quasiharmonic free energies with soft modes". G.J Ackland and N.D. Drummond Perovskite Materials MRS Symp.Proc, , April 2002 D 6.5

  • "How do martensitic twin boundaries move?". G.J. Ackland and U Pinsook Modeling and Numerical Simulation of Materials Behavior and Evolution MRS Symp.Proc. April 2002 W 8.20

  • "Ab initio calculation of interstitial formation energy in vanadium" S.W.Han, L.Ruiz-Zepeda, G.J. Ackland R. Car and D Srolovitz MRS Symp.Proc. April 2002 W 9.8

  • "Multi-Scale Modelling of Beryllium: Quantum Mechanics and Laser-Driven Shock Experiments Using Novel Diagnostics" D.C. Swift, D. Paisley , G. Kyrala , A. Hauer and G.J. Ackland Procedings of International Workshop: New Models and Hydrocodes for Shock Wave Processes in Condensed Matter Edinburgh, Scotland, 19-24 May, 2002

  • "Elastic Instabilities in Uniaxial Compression" D.Swift and G.J. Ackland Procedings of International Workshop: New Models and Hydrocodes for Shock Wave Processes in Condensed Matter Edinburgh, Scotland, 19-24 May, 2002

  • "High Pressure Phases of group IV and III-V semiconductors" G.J. Ackland High Pressure Surface Science and Engineering IoP Publishing, Bristol UK and Philadelphia USA. p120-159 (2003)

  • "High-pressure phases of group IV and III--V semiconductors" G J Ackland High Pressure Surface Science and Engineering Taylor & Francis, ISBN: 0750308818 pp 120-159 eds Yu. Gogotsi, V Domnich (2003)

  • Stabilization of large generalized Lotka-Volterra foodwebs by evolutionary feedback GJ Ackland and ID Gallagher Virtual Journal of Biological Physics Research. (2004)

    Ab initio model of porous periclase ND Drummond, DC Swift,and GJ Ackland, Meeting of the Health Communication Division of the Western-States-Communication-Association, Date: MAR, 2002 Long Beach CA, Editor(s): Furnish MD, Gupta YM, Forbes JW SHOCK COMPRESSION OF CONDENSED MATTER - 2003, PTS 1 AND 2, PROCEEDINGS 706 1436-1439 (2004)

  • "Atomistic modelling of the shape memory effect" G. J. Ackland, TMS Procedings: Solid-Solid Phase Transformations in Inorganic Materials 2005, vol. 2 TMS, edited JM Howe, DE Laughlin, JK Lee, U Dahmen, and WA Soffa (Warrendale, PA, 2005);

  • "Fermi surface effects in solid-solid phase transitions in simple metals under pressure" G. J. Ackland, Solid-Solid Phase Transformations in Inorganic Materials 2005, vol. 2 TMS, edited JM Howe, DE Laughlin, JK Lee, U Dahmen, and WA Soffa (Warrendale, PA, 2005);

  • http://arxiv.org/pdf/0705.0227 Self assembly of a model multicellular organism resembling the Dictyostelium slime molds GJ. Ackland, R.D.L.Hanes and M.H. Cohen

  • Separating runners in Orienteering Bernt O. Myrvold, Jan Kocbach, Henning Spjelkavik

  • Kastner, O., Ackland, G.J., Martensitic transformations in 2D Lennard-Jones crystals, ICOMAT 2008 Proceedings

  • Kastner, O., Ackland, G.J., Load-induced martensitic transformations in pseudo-elastic Lennard-Jones crystals, SMASIS08-413, Proceedings of the ASME SMASIS08 Conference, October 2008 (PDF)

  • Interatomic forces for transition metals including magnetism, G.J.Ackland, D.J.Hepburn and J.Wallenius TMS Annual Meeting, Seattle Feb 2010

  • Twenty-five Years of Finnis-Sinclar Potentials Graeme Ackland Adrian Sutton and Vasek Vitek Phil.Mag 89 34-36 3111 (2009) An Experimental and Theoretical Multi-Mbar Study of Ti-6Al-4V. Bengt E. Tegner, Simon G. MacLeod, Hyunchae Cynn, John Proctor, William J. Evans, Malcolm I. McMahon and Graeme J. Ackland (2011). MRS Online Proceedings Library, 1369, mrss11-1369-xx01-03 doi:10.1557/opl.2011.1336