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Curtin University
Nanochemistry Research Institute

Nigel Marks Publications

« Nigel Marks

[Year: 2012, 2011, 2010, 2009, 2008, 2007, 2006, 2005, 2003-04, 2000-02, Prior 2000, Book Chapters]

2012

  • CR Stanek, BP Uberuaga, BL Scott, RK Feller, and NA Marks, Accelerated Chemical Aging of Crystalline Nuclear Waste Forms, Current Opinion in Solid State and Materials Science, in press [Invited Article]
  • M Sassi, BP Uberuaga, CR Stanek, and NA Marks, Transmutation in 90SrF2: a density-functional-theory study of phase stability in ZrF2 , Physical Review B, in press.
  • M Robinson, NA Marks, KR Whittle, and GR Lumpkin, Systematic calculation of threshold displacement energies: A case study in rutile, Physical Review B, in press.
  • BA Fairchild, S Rubanov, DWM Lau, M Robinson, I Suarez-Martinez, NA Marks, AD Greentree, DG McCulloch and S Prawer, Mechanisms for the amorphisation of diamond, Advanced Materials, in press.
  • NA Marks, M Lattemann and DR McKenzie, Non-equilibrium route to nanodiamond with astrophysical implications, Physical Review Letters, 108, 075502 (2012).

2011

  • I Suarez-Martinez and NA Marks, Effect of microstructure on the thermal conductivity of disordered carbon, Applied Physics Letters, 99, 033101 (2011).
  • S Furmaniak, AP Terzyk, PA Gauden, NA Marks, RC Powles, and P Kowalczyk, Simulating the changes in carbon structure during the burn-off process, Journal of Colloid & Interface Science, 360, 211-219 (2011)
  • S Sperinck, P Raiteri, N Marks, and K Wright, Dehydroxylation of kaolinite to metakaolin – a molecular dynamics study, Journal of Materials Chemistry, 21, 2118-2125 (2011).
  • DJ Carter, NA Marks, O Warschkow, and DR McKenzie, Phosphorus delta-doped silicon: mixed-atom pseudopotentials and dopant disorder effects, Nanotechnology, 22, 065701 (2011).

2010

  • JM Bennett, O Warschkow, NA Marks, and DR McKenzie, Pathways for thermal phosphorus desorption from the silicon (001) surface, Physical Review B, 82, 235417 (2010).
  • I Suarez-Martinez, PJ Higginbottom, and NA Marks, Molecular dynamics simulations of carbon peapods into double-walled carbon nanotubes, Carbon, 48, 3592-3598, (2010)
  • BP Uberuaga, C Jiang, CR Stanek, KE Sickafus, NA Marks, DJ Carter, and AL Rohl, Implications of transmutation of the defect chemistry in crystalline waste forms, Nuclear Instruments and Methods in Physics Research B, 268, 3261-3264, (2010)
  • C Jiang, CR Stanek, NA Marks, KE Sickafus, and BP Uberuaga, Radioparagenesis: The formation of novel compounds and crystalline structures via radioactive decay, Philosophical Magazine Letters, 90, 435 (2010).
  • O Warschkow, NA Marks, SR Schofield, MW Radny, PV Smith, and DR McKenzie, Comment on “Transformation of C-type defects on Si(100)-2x1 surface at room temperature STM/STS study”, Surface Science, 604, 235 (2010).
  • F Song, X Wang, RC Powles, L He, NA Marks, S Zhao, J Wan, Z Liu, SP Ringer, M Han, and G Wang, Calibrating the atomic balance by carbon nanoclusters, Applied Physics Letters, 96, 033103 (2010).
  • C Jiang, BP Uberuaga, KE Sickafus, FM Nortier, JJ Kitten, NA Marks, and CR Stanek, Using “radioparagenesis” to design robust nuclear waste forms, Energy and Environmental Science, 3, 130 (2010).

2009

  • MB Taylor, DWM Lau, JG Partridge, DG McCulloch, NA Marks, EHT Teo, and DR McKenzie, The origin of preferred orientation during carbon film growth, Journal of Physics: Condensed Matter, 21, 225003 (2009).
  • RC Powles, NA Marks, and DWM Lau, Self-assembly of sp2-bonded carbon carbon from amorphous precursors, Physical Review B, 79, 075430 (2009).
  • DJ Carter, O Warschkow, NA Marks, and DR McKenzie, Electronic structure models of phosphorus delta-doped silicon, Physical Review B, 79, 033204 (2009); ibid, 79, 033204 (2009)
  • JM Bennett, O Warschkow, and NA Marks, Aminoxyl Radicals on the Silicon (001) Surface, Journal of Physical Chemistry C, 113, 1020-1027 (2009).
  • C Jiang, CR Stanek, NA Marks, KE Sickafus, and BP Uberuaga, Predicting from first principles the chemical evolution of crystalline compounds due to radioactive decay: The case of the transformation of CsCl to BaCl, Physical Review B, 79, 132110 (2009).
  • JM Bennet, O Warschkow, NA Marks, and DR McKenzie, Diffusion pathways of phosphorus atoms on silicon (001), Physical Review B, 79, 165311 (2009).

2008

  • GR Lumpkin, KL Smith, MG Blackford, BS Thomas, KL Whittle, NA Marks, and NJ Zaluzec, Structural Control of Radiation Response in the TiO_{2} polymorphs, Physical Review B, 77, 214201 (2008).
  • NA Marks, BS Thomas, KL Smith, and GR Lumpkin, Thermal Spike Recrystallisation: Molecular Dynamics Simulation of Radiation Damage in Polymorphs of Titania, Nuclear Instruments and Methods in Physics Research B, 254, 2665-2670 (2008).
  • O Warschkow, SR Schofield, NA Marks, MW Radny, PV Smith, and DR McKenzie, Water on Silicon (001): C-defects and Initial Steps of Surface Oxidation, Physical Review B (Rapid Communications), 77, 201305 (2008).
  • DWM Lau, DG McCulloch, MB Taylor, JG Partridge, NA Marks, DR McKenzie, E Teo, and BK Tay, Abrupt stress induced transformation in amorphous carbon films with a highly conductive transition phase, Physical Review Letters, 100, 176101 (2008).
  • Q Lu, NA Marks, GC Schatz, and T Belytschko, Nano-fracture of tetrahedral amorphous carbon by molecular dynamics: flaw size insensitivity, Physical Review B, 77, 014109 (2008).

2007

  • MW Radny, PV Smith, TCG Reusch, O Warschkow, NA Marks, HQ Shi, DR McKenzie, SR Schofield, NJ Curson, and MY Simmons, Single P and As dopants in the Si(001) surface, Journal of Chemical Physics, 127, 184706 (2007).
  • BS Thomas and NA Marks, Comment on "Use of a variable-charge interatomic potential for atomistic simulations of bulk, oxygen vacancies and surfaces of rutile TiO_{2}", Physical Review B, 76, 167401 (2007).
  • MW Radny, PV Smith, TCG Reusch, O Warschkow, NA Marks, HF Wilson, SR Schofield, NJ Curson, DR McKenzie, and MY Simmons, Single Hydrogen Atoms on the Si(001) Surface, Physical Review B, 76, 155302 (2007).
  • O Warschkow, TL McDonell, and NA Marks, NH_{3} on Si(001): Can Gaussian Cluster and Planewave Slab Models Agree on Energetics?, Surface Science, 601, 3020-3033 (2007).
  • TCG Reusch, MW Radny, PV Smith, O Warschkow, NA Marks, NJ Curson, DR McKenzie, and MY Simmons, Single phosphorus atoms in Si(001): Doping-induced charge transfer into isolated Si dangling bonds, Journal of Physical Chemistry C, 111, 6428-6433 (2007).
  • DWM Lau, DG McCulloch, NA Marks, NR Madsen, and AV Rode, High-temperature formation of concentric fulllerene-like structures within foam-like Carbon: Experiment and molecular dynamics simulation, Physical Review B, 75, 233408 (2007).
  • TCG Reusch, O Warschkow, MW Radny, PV Smith, NA Marks, NJ Curson, DR McKenzie, and MY Simmons, Doping and STM tip-induced changes to single dangling bonds on Si(001), Surface Science, 601, 4036-4040 (2007).
  • BS Thomas, NA Marks, and BD Begg, Defects and threshold displacement energies in SrTiO_{3} perovskites using atomistic computer simulation, Nuclear Instruments and Methods in Physics Research B, 254, 211-218 (2007).

2006

  • NA Marks, MF Cover, and C Kocer, The importance of rare events in thin film deposition: a molecular dynamics study of tetrahedral amorphous carbon, Molecular Simulation, 32, 1271-1277 (2006).
  • BS Thomas, NA Marks, and Peter Harrowell, Inversion of defect correlations due to disordering in Sr_{1-3x/2}La_{x}TiO_{3} perovskites: an atomistic simulation study, Physical Review B, 74, 214109 (2006).
  • HF Wilson, O Warschkow, NA Marks, NJ Curson, SR Schofield, TCG Reusch, MW Radny, PV Smith, DR McKenzie, and MY Simmons, Thermal dissociation and desorption of PH_{3} on Si(001): a reinterpretation of spectroscopic data, Physical Review B, 74, 195310 (2006).
  • SR Schofield, NJ Curson, MY Simmons, O Warschkow, NA Marks, HF Wilson, DR McKenzie, PV Smith, and MW Radny, Atomic-scale observation and control of the reaction of phosphine with silicon, e-Journal of Surface Science and Nanotechnology, 4, 609-613 (2006).
  • NA Marks, MF Cover, C Kocer, Simulating temperature effects in the growth of tetrahedral amorphous carbon: The importance of infrequent events, Applied Physics Letters, 89, 131924 (2006).
  • MW Radny, PV Smith, TCG Reusch, O Warschkow, HF Wilson, NA Marks, NJ Curson, SR Schofield, DR McKenzie, and MY Simmons, The importance of charging in atomic resolution scanning tunneling microscopy: Study of a single phosphorus atom in a Si(001) surface, Physical Review B, 74, 113311 (2006).
  • SR Schofield, NJ Curson, O Warschkow, NA Marks, HF Wilson, MY Simmons, PV Smith, MW Radny, DR McKenzie, and RG Clark, Phosphine dissociation and diffusion on Si(001) observed at the atomic-scale, Journal of Physical Chemistry B, 110, 3173 (2006).

2005

  • TL McDonell, NA Marks, O Warschkow, HF Wilson, PV Smith, and MW Radny, Molecular Dissocation of Group V Hydrides on Si(001), Physical Review B, 72, 193307 (2005).
  • O Warschkow, HF Wilson, NA Marks, SR Schofield, NJ Curson, PV Smith, MW Radny, DR McKenzie, and MY Simmons, Phosphine Adsorption and Dissociation on the Si(001) Surface: An Ab Initio Survey of Structures, Physical Review B, 72, 125328 (2005).
  • HF Wilson, NA Marks, and DR McKenzie, Defect-induced dimer pinning on the Si(001) surface, Surface Science, 587, 185-192 (2005).
  • SR Schofield, NJ Curson, O Warschkow, NA Marks, HF Wilson, MY Simmons, PV Smith, MW Radny, and DR McKenzie, Towards the routine fabrication of P in Si nanostructures: Understanding P precursor molecules on Si(001) Materials Research Society Symposium Proceedings 864, E5.4.1-9 (2005).
  • BS Thomas, NA Marks, BD Begg, LR Corrales, and R Devanathan, Threshold displacement energies in rutile TiO2: A molecular dynamics study, Nuclear Instruments and Methods in Physics Research B, 239, 191-201 (2005).
  • DR McKenzie, AR Merchant, DG McCulloch, H Malloch, NA Marks, and MMM Bilek, Ab initio studies of amorphous carbon films, Surface and Coatings Technology, 198, 212-216 (2005).
  • NA Marks, Thin film deposition of tetrahedral amorphous carbon: a molecular dynamics study, Diamond and Related Materials, 14, 1223-1231 (2005).
  • GK Pearce, NA Marks, DR McKenzie, and MMM Bilek, Molecular dynamics simulation of the thermal spike in amorphous carbon films, Diamond and Related Materials, 14, 921-927 (2005).
  • BS Thomas, NA Marks, and BD Begg, Developing pair potentials for simulating radiation damage in complex oxides, Nuclear Instruments and Methods in Physics Research B, 228, 288-292 (2005).

2003/2004

  • HF Wilson, O Warschkow, NA Marks, SR Schofield, NJ Curson, PV Smith, MW Radny, DR McKenzie, and MY Simmons, Phosphine Dissociation on the Si(100) Surface, Physical Review Letters, 93, 226102 (2004).
  • BS Thomas, NA Marks, and BD Begg, Empirical variable-charge models for titanium oxides: a study in transferability, Physical Review B 69, 144122 (2004).
  • SR Schofield, NA Marks, NJ Curson, JL O'Brien, GW Brown, MY Simmons, RG Clark, ME Hawley, and HF Wilson, Split-off Dimer Defects on the Si(001)2x1 Surface, Physical Review B 69, 085312 (2004).
  • HF Wilson, NA Marks, DR McKenzie, and KH Lee, Molecular Dynamics simulations of ion implantation for the fabrication of a solid-state quantum computer, Nuclear Instruments and Methods in Physics Research B 215, 99-108 (2004).
  • DR McKenzie, RN Tarrant, MMM Bilek, GK Pearce, NA Marks, DG McCulloch, and SHN Lim, Voltage Dependence of Cluster Size in Carbon Films using Plasma Immersion Ion Implantation, Nuclear Instruments and Methods in Physics Research B 206, 741-744 (2003).
  • DG McCulloch, AR Merchant, NA Marks, NC Cooper, P Fitzhenry, MMM Bilek, and DR McKenzie, Wannier Function Analysis of Tetrahedral Amorphous Networks, Diamond and Related Materials 12, 2026-2031 (2003).
  • NA Marks, JM Bell, GK Pearce, DR McKenzie, and MMM Bilek, Atomistic simulation of energy and temperature effects in the deposition and implantation of amorphous carbon thin films, Diamond and Related Materials 12, 2003-2010 (2003).
  • AS Barnard, NA Marks, SP Russo, and IK Snook, Hydrogen Stabilization of {111} Nanodiamond, Materials Research Society Symposium Proceedings 740, 13.4.1-6 (2003).
  • P Fitzhenry, MMM Bilek, NA Marks, NC Cooper, and DR McKenzie, Wannier Function Analysis of Silicon Carbon Alloys, Journal of Physics: Condensed Matter, 15, 165-173 (2003).

2000-2002

  • NC Cooper, MS Fagan, CM Goringe, NA Marks, and DR McKenzie, Surface structure and sputtering in amorphous carbon thin films: a tight-binding study of film deposition, Journal of Physics: Condensed Matter 14, 723-730 (2002).
  • N Marks, Modelling Diamond-like Carbon with the Environment Dependent Interaction Potential, Journal of Physics: Condensed Matter 14, 2901-2927 (2002). [Invited Article]
  • G Opletal, T Petersen, B O'Malley, I Snook, DG McCulloch, NA Marks and I Yarovsky, Hybrid approach for generating realistic amorphous carbon structure using Metropolis and Reverse Monte Carlo, Molecular Simulation 28, 927-938 (2002).
  • SHN Lim, DG McCulloch, AR Merchant, NA Marks, MMM Bilek, and DR McKenzie, Wannier Function Analysis for Understanding Disordered Structures Generated using Car-Parrinello Molecular Dynamics, Molecular Simulation 28, 971-979 (2002).
  • NA Marks, NC Cooper, DR McKenzie, DG McCulloch, P Bath, and SP Russo, A Comparison of Density Functional, Tight-Binding and Empirical Methods for the Simulation of Amorphous Carbon, Physical Review B 65, 075411 (2002).
  • DR McKenzie, WT Li, EG Gerstner, AR Merchant, DG McCulloch, NA Marks, and MMM Bilek, Applications of tetrahedral amorphous carbon in limited volatility memory and in field programmable gate arrays, Diamond and Related Materials 10, 230-233 (2001).
  • NA Marks, MW Finnis, JH Harding and NC Pyper, A physically transparent and transferable compressible ion model for oxides, Journal of Chemical Physics 114, 4406-4414 (2001).
  • NA Marks, Generalizing the environment-dependent interaction potential for carbon, Physical Review B 63, 035401 (2000).

Prior to 2000

  • NA Marks, S Fabris, and MW Finnis, A coupled compressible and polarizable ionic model applied to oxide crystal structures, Materials Research Society Proceedings 547, 197-202 (1999).
  • NA Marks, Evidence for subpicosecond thermal spikes in the formation of tetrahedral amorphous carbon, Physical Review B 56, 2441-2446 (1997).
  • NA Marks, DR McKenzie, BA Pailthorpe, M Bernasconi, and M Parrinello, Ab initio simulations of tetrahedral amorphous carbon, Physical Review B 54, 9703-9714 (1996).
  • NA Marks, DR McKenzie, and BA Pailthorpe, Molecular dynamics study of compressive stress generation, Physical Review B 53, 4117-4124 (1996).
  • NA Marks, DR McKenzie, BA Pailthorpe, M Bernasconi, and M Parrinello, Microscopic structure of tetrahedral amorphous carbon, Physical Review Letters 76, 768-771 (1996).
  • DG McCulloch, NA Marks, DR McKenzie, and S Prawer, Molecular dynamics and experimental study of preferred orientation induced by compressive stress, Nuclear Instruments and Methods in Physics Research B 106, 545-549 (1995).
  • NA Marks, DR McKenzie, and BA Pailthorpe, Molecular dynamics study of ion impact phenomena, Journal of Physics: Condensed Matter 6, 7833-7846 (1994).
  • DR McKenzie, Y Yin, NA Marks, CA Davis, BA Pailthorpe, GAJ Amaratunga, and VS Veerasamy, Hydrogen Free Amorphous Carbon Preparation and Properties, Diamond and Related Materials 3, 353-360 (1994).
  • NA Marks, P Guan, DR McKenzie, and BA Pailthorpe, Molecular dynamics study of ion impact phenomena and compressive stress in thin films, Materials Research Society Proceedings 317, 497-502 (1993).
  • DR McKenzie, Y Yin, NA Marks, CA Davis, E Kravtchinskaia, BA Pailthorpe, and GAJ Amaratunga, Tetrahedral Amorphous Carbon Properties and Applications, Journal of Non-Crystalline Solids 164-166, 1101-1106 (1993).

Book Chapters

  • DR McKenzie, NA Marks, P Guan, BA Pailthorpe, WD McFall, and Y Yin, Energetic Condensation as a Means of Inducing the Growth of Films Containing High Pressure Phases, Topics in Applied Physics, Springer-Verlag Berlin, 1995.
  • DR McKenzie, NA Marks, P Guan, BA Pailthorpe, WD McFall and Y Yin, Energetic condensation as a means of inducing the growth of films containing high pressure phases. Surface science. Principles and current applications. Springer-Verlag. pp.250-62. Berlin, Germany, 1996
  • DR McKenzie and NA Marks, Amorphous Carbon, ed. SRP Silva, INSPEC, 2002, (ISBN: 085296-961-9)