Optimization of large amorphous silicon and silica structures for molecular dynamics simulations of energetic impacts

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Volumn 269, Issue 14, 2011, Pages 1568-1571

  Samela, Juha ^a   Norris, Scott A ^b   Nordlund, Kai ^a   Aziz, Michael J ^c  

^a UNIVERSITY OF HELSINKI   (Finland)

^b SOUTHERN METHODIST UNIVERSITY   (United States)

^c HARVARD UNIVERSITY   (United States)

Author keywords

Amorphous network; Molecular dynamics simulation; Silica; Silicon

Indexed keywords

AMORPHOUS NETWORKS; HYPERVELOCITY IMPACTS; ION IMPACT; LARGE CLUSTERS; LOW ENERGIES; MOLECULAR DYNAMICS SIMULATIONS; PRACTICAL METHOD; SILICA STRUCTURES; SMALL DISPLACEMENT;

COMPUTER SIMULATION; ION BOMBARDMENT; MOLECULAR DYNAMICS; OPTIMIZATION; SILICA;

AMORPHOUS SILICON;

EID: 79955074681     PISSN: 0168583X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.nimb.2010.11.017     Document Type: Conference Paper

References (19)

1. S.A. Norris, M.P. Brenner, and M.J. Aziz From crater functions to partial differential equations: a new approach to ion bombardment induced nonequilibrium pattern formation J. Phys.: Condens. Matter 21 2009 224017
2. J. Samela, and K. Nordlund Classical molecular dynamics simulations of hypervelocity nanoparticle impacts on amorphous silica Phys. Rev. B 81 2010 054108
3. F. Wooten, K. Winer, and D. Weaire Computer generation of structural models of amorphous Si and Ge Phys. Rev. Lett. 54 1985 1392 1395
4. Y. Tu, J. Tersoff, G. Grinstein, and D. Vanderbilt Properties of a continuous-random-network model for amorphous systems Phys. Rev. Lett. 81 1998 4899 4902 (Pubitemid 128627013)
5. R.L.C. Vink, and G.T. Barkema Large well-relaxed models of vitreous, silica, coordination, numbers, and entropy Phys. Rev. B 67 2003 245201
6. S. von Alfthan, A. Kuronen, and K. Kaski Realistic models of amorphous silica: a comparative study of different potentials Phys. Rev. B 68 2003 073203
7. P.N. Keating Effect of invariance requirements on the elastic strain energy of crystals with application to the diamond structure Phys. Rev. 145 1966 637 645
8. G. Kornich, G. Betz, V. Zaporojtchenko, and K. Pugina Low energy ion bombardment of metal nanoclusters on graphite Nucl. Instr. Meth. Phys. Res. B 255 2007 233 237 (Pubitemid 46241578)
9. M. Ghaly, K. Nordlund, and R.S. Averback Molecular dynamics investigations of surface damage produced by kiloelectronvolt self-bombardment of solids Phil. Mag. A 79 1999 795 820 (Pubitemid 129488634)
10. K. Nordlund, M. Ghaly, R.S. Averback, M. Caturla, T.D. de la Rubia, and J. Tarus Defect production in collision cascades in elemental semiconductors and fcc metals Phys. Rev. B 57 1998 7556 7570 (Pubitemid 128490308)
11. J.F. Justo, M.Z. Bazant, E. Kaxiras, V.V. Bulatov, and S. Yip Interatomic potential for silicon defects and disordered phases Phys. Rev. B 58 1998 2539 2550 (Pubitemid 128493355)
12. F.H. Stillinger, and T.A. Weber Computer simulation of local order in condensed phases of silicon Phys. Rev. B 31 1985 5262 5271
13. H. Ohta, and S. Hamaguchi Classical interatomic potentials for Si-O-F and Si-O-Cl systems J. Chem. Phys. 115 2001 6679 6690 (Pubitemid 33046641)
14. T. Watanabe, D. Yamasaki, K. Tatsumura, and I. Ohdomari Improved interatomic potential for stressed Si, O mixed systems Appl. Surf. Sci. 234 2004 207 213
15. J. Samela, K. Nordlund, V.N. Popok, and E.E.B. Campbell Origin of complex impact craters on native oxide coated silicon surfaces Phys. Rev. B 77 2008 075309
16. L. Pusztai, and S. Kugler Comparison of the structures of evaporated and ion-implanted amorphous silicon samples J. Phys.: Condens. Matter 17 2005 2617 2624 (Pubitemid 41244614)
17. S. Kugler, and Z. Várallyay Possible unusual atomic arrangements in the structure of amorphous silicon Phil. Mag. Lett. 81 2001 569 574 (Pubitemid 34590582)
18. D.I. Grimley, A.C. Wrighta, and R.N. Sinclair Neutron scattering from vitreous silica iv. Time-of-flight diffraction J. Non-Cryst. Solids 119 1990 49 64
19. X. Yuan, and A.N. Cormack Si-O-Si bond angle and torsion angle distribution in vitreous silica and sodium silicate glasses J. Non-Cryst. Solids 319 2003 31 43