Graeme Ackland - Publications

Affiliations: 
Physics University of Edinburgh, Edinburgh, Scotland, United Kingdom 

62 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Ehteshami H, Ackland G. High Pressure Hydrogen and the Potts Model on a Triangular Lattice. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34102627 DOI: 10.1088/1361-648X/ac093a  0.308
2020 Zong H, Wiebe H, Ackland GJ. Understanding high pressure molecular hydrogen with a hierarchical machine-learned potential. Nature Communications. 11: 5014. PMID 33024105 DOI: 10.1038/s41467-020-18788-9  0.308
2019 Crain J, Clark SJ, Ackland GJ, Payne MC, Milman V, Hatton PD, Reid BJ. Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment. Physical Review. B, Condensed Matter. 49: 5329-5340. PMID 10011485 DOI: 10.1103/Physrevb.49.5329  0.355
2018 Bäker M, Rösler J, Hentrich T, Ackland G. Influence of transition group elements on the stability of the δ- and η-phase in nickelbase alloys Modelling and Simulation in Materials Science and Engineering. 26: 15005. DOI: 10.1088/1361-651X/Aa9759  0.382
2016 Mendelev MI, Underwood T, Ackland G. Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium Journal of Chemical Physics. 145: 154102-154102. PMID 27782472 DOI: 10.1063/1.4964654  0.409
2015 Underwood TL, Ackland GJ. Lattice-switch Monte Carlo: The fcc - Bcc problem Journal of Physics: Conference Series. 640. DOI: 10.1088/1742-6596/640/1/012030  0.403
2014 Ackland G, Magdau IB. Efficacious calculation of Raman spectra in high pressure hydrogen High Pressure Research. 34: 198-204. DOI: 10.1080/08957959.2013.856897  0.416
2012 MacLeod SG, Tegner BE, Cynn H, Evans WJ, Proctor JE, McMahon MI, Ackland GJ. Experimental and theoretical study of Ti-6Al-4V to 220 GPa Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.224202  0.407
2012 Lane PD, Galloway GJ, Cole RJ, Caffio M, Schaub R, Ackland GJ. Validating molecular dynamics with direct imaging of radiation damage debris Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.094111  0.313
2012 Husband RJ, Loa I, Stinton G, Evans SR, Ackland G, McMahon M. The Structure of Eu-III Arxiv: Materials Science. 377: 12030. DOI: 10.1088/1742-6596/377/1/012030  0.367
2011 Marqués M, McMahon MI, Gregoryanz E, Hanfland M, Guillaume CL, Pickard CJ, Ackland GJ, Nelmes RJ. Crystal structures of dense lithium: a metal-semiconductor-metal transition. Physical Review Letters. 106: 095502. PMID 21405633 DOI: 10.1103/Physrevlett.106.095502  0.421
2011 Ackland G, Klaver TPC, Hepburn D. First principles calculations of defects in unstable crystals: Austenitic iron Mrs Proceedings. 1363. DOI: 10.1557/Opl.2011.1383  0.338
2011 Zelazny M, Richardson R, Ackland G. Twinning hierarchy, shape memory, and superelasticity demonstrated by molecular dynamics Physical Review B. 84: 144113. DOI: 10.1103/Physrevb.84.144113  0.385
2009 Marqués M, Ackland GJ, Lundegaard LF, Stinton G, Nelmes RJ, McMahon MI, Contreras-García J. Potassium under pressure: a pseudobinary ionic compound. Physical Review Letters. 103: 115501. PMID 19792381 DOI: 10.1103/Physrevlett.103.115501  0.389
2009 Lundegaard LF, Marques M, Stinton G, Ackland G, Nelmes R, McMahon M. Observation of the oP8 crystal structure in potassium at high pressure Physical Review B. 80: 20101. DOI: 10.1103/Physrevb.80.020101  0.326
2009 Hepburn D, Ackland G, Olsson P. Rescaled potentials for transition metal solutes in α-iron Philosophical Magazine. 89: 3393-3411. DOI: 10.1080/14786430903292381  0.305
2009 Marques M, Ackland G, Loveday J. Nature and stability of ice X High Pressure Research. 29: 208-211. DOI: 10.1080/08957950802564031  0.351
2008 Marques M, Ackland G, Lundegaard LF, Falconi S, Hejny C, McMahon M, Contreras-Garcia J, Hanfland M. Origin of incommensurate modulations in the high-pressure phosphorus IV phase Physical Review B. 78: 54120. DOI: 10.1103/Physrevb.78.054120  0.385
2007 Jackson AN, Ackland G. Lattice-switch Monte Carlo simulation for binary hard-sphere crystals. Physical Review E. 76: 66703-66703. PMID 18233939 DOI: 10.1103/Physreve.76.066703  0.394
2007 Mendelev MI, Ackland G. Development of an interatomic potential for the simulation of phase transformations in zirconium Philosophical Magazine Letters. 87: 349-359. DOI: 10.1080/09500830701191393  0.45
2006 Falconi S, Ackland G. Ab initio simulations in liquid caesium at high pressure and temperature Physical Review B. 73: 184204. DOI: 10.1103/Physrevb.73.184204  0.394
2005 Ackland G, Fox H. Total energy calculation for high pressure selenium: the origin of incommensurate modulations in Se IV and the instability of proposed Se II Journal of Physics: Condensed Matter. 17: 1851-1859. DOI: 10.1088/0953-8984/17/12/009  0.423
2003 Mendelev MI, Han S, Srolovitz DJ, Ackland GJ, Sun DY, Asta M. Development of new interatomic potentials appropriate for crystalline and liquid iron Philosophical Magazine. 83: 3977-3994. DOI: 10.1080/14786430310001613264  0.336
2002 Ackland G. Devil's staircase in kinetically limited growth. Physical Review E. 66: 41605. PMID 12443214 DOI: 10.1103/Physreve.66.041605  0.344
2002 Jackson AN, Bruce AD, Ackland GJ. Lattice-switch Monte Carlo method: application to soft potentials. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 036710. PMID 11909310 DOI: 10.1103/Physreve.65.036710  0.377
2002 Drummond ND, Ackland G. Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials Physical Review B. 65: 184104. DOI: 10.1103/Physrevb.65.184104  0.369
2002 Ackland G. Calculation of free energies from ab initio calculation Journal of Physics: Condensed Matter. 14: 2975-3000. DOI: 10.1088/0953-8984/14/11/311  0.349
2001 Ackland G. Two disordered phases of the beta-tin structure in binary semiconductors. Physical Review Letters. 86: 5301-5304. PMID 11384483 DOI: 10.1103/Physrevlett.86.5301  0.347
2001 Blackstock JJ, Ackland G. Phase transitions of copper precipitates in Fe–Cu alloys Philosophical Magazine. 81: 2127-2148. DOI: 10.1080/01418610108217139  0.419
2001 Ackland GJ, Clark SJ. Ab initio molecular dynamics of liquid carbon disulphide Molecular Physics. 99: 855-863. DOI: 10.1080/00268970010018413  0.329
2001 Ackland G. Theory of High Pressure Phases of Group-IV and III–V Semiconductors Physica Status Solidi B-Basic Solid State Physics. 223: 361-368. DOI: 10.1002/1521-3951(200101)223:2<361::Aid-Pssb361>3.0.Co;2-1  0.423
2000 Clark SJ, Markwick PRL, Ackland G, Crain J. Short-time reorientational processes in molecular fluids Epl. 49: 34-40. DOI: 10.1209/Epl/I2000-00116-1  0.332
2000 Pinsook U, Ackland GJ. Atomistic simulation of shear in a martensitic twinned microstructure Physical Review B. 62: 5427-5434. DOI: 10.1103/Physrevb.62.5427  0.597
2000 Kelsey AA, Ackland GJ. Computational analysis of the high-pressure structures of InSb Journal of Physics Condensed Matter. 12: 7161-7173. DOI: 10.1088/0953-8984/12/32/301  0.415
1999 Pinsook U, Ackland GJ. Calculation of anomalous phonons and the hcp-bcc phase transition in zirconium Physical Review B. 59: 13642-13649. DOI: 10.1103/Physrevb.59.13642  0.661
1998 Clark SJ, Ackland GJ, Crain J. Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB Europhysics Letters. 44: 578-584. DOI: 10.1209/Epl/I1998-00512-5  0.315
1998 Hsueh HC, Chen RK, Vass H, Clark SJ, Ackland G, Poon W, Crain J. Compression Mechanisms In Quasimolecular Xi3 (X=As, Sb, Bi) Solids Physical Review B. 58: 14812-14822. DOI: 10.1103/Physrevb.58.14812  0.374
1998 Pinsook U, Ackland GJ. Simulation of martensitic microstructural evolution in zirconium Physical Review B. 58: 11252-11257. DOI: 10.1103/Physrevb.58.11252  0.673
1998 Kelsey AA, Ackland G, Clark SJ. Stability And Electronic Structure Of The Cinnabar Phase In Gaas Physical Review B. 57. DOI: 10.1103/Physrevb.57.R2029  0.432
1998 Allan D, Kelsey AA, Clark SJ, Angel RJ, Ackland G. High-pressure semiconductor-semimetal transition in TiS2 Physical Review B. 57: 5106-5110. DOI: 10.1103/Physrevb.57.5106  0.344
1997 Fuks D, Dorfman S, Ackland G. High-pressure simulations of atom-vacancy solid solution Defect and Diffusion Forum. 143: 161-164. DOI: 10.4028/Www.Scientific.Net/Ddf.143-147.161  0.319
1997 Karki B, Stixrude L, Clark S, Warren M, Ackland G, Crain J. Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures American Mineralogist. 82: 635-638. DOI: 10.2138/Am-1997-5-623  0.318
1997 Karki BB, Stixrude L, Clark SJ, Warren MC, Ackland G, Crain J. Structure and elasticity of MgO at high pressure American Mineralogist. 82: 51-60. DOI: 10.2138/Am-1997-1-207  0.398
1997 Bruce AD, Wilding NB, Ackland GJ. Free energy of crystalline solids: A lattice-switch monte carlo method Physical Review Letters. 79: 3002-3005. DOI: 10.1103/Physrevlett.79.3002  0.351
1997 Clark SJ, Ackland G. Ab initio calculations of the self-interstitial in silicon Physical Review B. 56: 47-50. DOI: 10.1103/Physrevb.56.47  0.352
1997 Karki B, Warren M, Stixrude L, Ackland G, Crain J. Ab initio studies of high-pressure structural transformations in silica (vol 55, pg 3465, 1997) Physical Review B. 56: 2884-2884. DOI: 10.1103/Physrevb.56.2884  0.338
1997 Karki BB, Warren MC, Stixrude L, Ackland G, Crain J. Ab initio studies of high-pressure structural transformations in silica Physical Review B. 55: 3465-3471. DOI: 10.1103/Physrevb.55.3465  0.447
1997 Karki BB, Ackland GJ, Crain J. Elastic instabilities in crystals from ab initio stress-strain relations Journal of Physics Condensed Matter. 9: 8579-8589. DOI: 10.1088/0953-8984/9/41/005  0.406
1997 Karki BB, Clark SJ, Warren MC, Hsueh HC, Ackland G, Crain J. Ab initio elasticity and lattice dynamics of AgGaSe2 Journal of Physics: Condensed Matter. 9: 375-380. DOI: 10.1088/0953-8984/9/2/005  0.329
1997 Clark S, Adam C, Ackland G, Crain J. Conformation energy surface for liquid crystal molecules from first principles : Application to 5CB Molecular Crystals and Liquid Crystals. 299: 39-44. DOI: 10.1080/10587259708041971  0.328
1997 Clark S, Adam C, Ackland G, White J, Crain J. Properties of liquid crystal molecules from first principles computer simulation Liquid Crystals. 22: 469-475. DOI: 10.1080/026782997209199  0.318
1997 Ackland G, Warren MC. Soft-mode phase transitions from first principles Phase Transitions. 61: 215-223. DOI: 10.1080/01411599708223738  0.433
1996 Fuks D, Dorfman S, Ackland G. Pressure-induced thermodynamic properties of atom-vacancy solid solution Physical Review B. 54: 9726-9729. PMID 9984705 DOI: 10.1103/Physrevb.54.9726  0.306
1995 Piltz RO, Maclean JR, Clark SJ, Ackland GJ, Hatton PD, Crain J. Structure and properties of silicon XII: A complex tetrahedrally bonded phase. Physical Review. B, Condensed Matter. 52: 4072-4085. PMID 9981533 DOI: 10.1103/Physrevb.52.4072  0.331
1995 Crain J, Piltz RO, Ackland GJ, Clark SJ, Payne MC, Milman V, Lin JS, Hatton PD, Nam YH. Erratum: Tetrahedral structures and phase transitions in III-V semiconductors Physical Review. B, Condensed Matter. 52: 16936. PMID 9981104 DOI: 10.1103/Physrevb.52.16936  0.384
1995 Clark SJ, Ackland GJ, Crain J. Theoretical stability limit of diamond at ultrahigh pressure Physical Review B. 52: 15035-15038. DOI: 10.1103/Physrevb.52.15035  0.403
1994 Crain J, Piltz RO, Ackland GJ, Clark SJ, Payne MC, Milman V, Lin JS, Hatton PD, Nam YH. Tetrahedral structures and phase transitions in III-V semiconductors. Physical Review. B, Condensed Matter. 50: 8389-8401. PMID 9974857 DOI: 10.1103/Physrevb.50.8389  0.384
1993 Crain J, Ackland GJ, Piltz RO, Hatton PD. Phase-transition-induced defect formation in III-V semiconductors. Physical Review Letters. 70: 814-817. PMID 10054210 DOI: 10.1103/Physrevlett.70.814  0.403
1993 Akbarzadeh H, Clark SJ, Ackland GJ. A theoretical study of selenium I under high pressure Journal of Physics: Condensed Matter. 5: 8065-8074. DOI: 10.1088/0953-8984/5/43/018  0.416
1988 Ackland G. Theoretical study of the effect of point defects on the elastic constants of copper Journal of Nuclear Materials. 152: 53-63. DOI: 10.1016/0022-3115(88)90140-7  0.344
1987 Ackland G, Thetford R. An improved N-body semi-empirical model for body-centred cubic transition metals Philosophical Magazine. 56: 15-30. DOI: 10.1080/01418618708204464  0.364
1986 Ackland G, Finnis MW. Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals Philosophical Magazine. 54: 301-315. DOI: 10.1080/01418618608242900  0.304
Show low-probability matches.