Size effect on the oxidation of aluminum nanoparticle: Multimillion-atom reactive molecular dynamics simulations

Journal of Applied Physics

Volumn 114, Issue 13, 2013, Pages

  Li, Ying ^a   Kalia, Rajiv K ^a   Nakano, Aiichiro ^a   Vashishta, Priya ^a  

^a University of Southern California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; ALUMINUM; ALUMINUM OXIDE; ATOMS; MOLECULAR DYNAMICS; NANOPARTICLES; OXIDATION; REACTION KINETICS; SHELLS (STRUCTURES); SIZE DETERMINATION;

ALUMINUM NANOPARTICLES; ATOMISTIC MECHANISM; OXIDATION DYNAMICS; OXIDATION PROCESS; REACTIVE MOLECULAR DYNAMICS; SHELL TEMPERATURES; SYSTEM TEMPERATURE; TOTAL TEMPERATURES;

ALUMINUM ALLOYS;

EID: 84885448421     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4823984     Document Type: Article

References (51)

1. E. L. Dreizin, Combust. Flame 105, 541 (1996). 10.1016/0010-2180(95) 00224-3
2. J. L. Jordan, L. Ferranti, R. A. Austin, R. D. Dick, J. R. Foley, N. N. Thadhani, D. L. McDowell, and D. J. Benson, J. Appl. Phys. 101, 093520 (2007). 10.1063/1.2719272
3. K. Brandstadt, D. L. Frost, and J. A. Kozinski, Proc. Combust. Inst. 32, 1913 (2009). 10.1016/j.proci.2008.08.014
4. A. Ermoline, M. Schoenitz, and E. L. Dreizin, Combust. Flame 158, 1076 (2011). 10.1016/j.combustflame.2010.10.010
5. M. A. Trunov, M. Schoenitz, X. Y. Zhu, and E. L. Dreizin, Combust. Flame 140, 310 (2005). 10.1016/j.combustflame.2004.10.010
6. V. I. Levitas, Combust. Flame 156, 543 (2009). 10.1016/j.combustflame. 2008.11.006
7. E. Stratakis, M. Barberoglou, C. Fotakis, G. Viau, C. Garcia, and G. A. Shafeev, Opt. Express 17, 12650 (2009). 10.1364/OE.17.012650
8. B. S. Bockmon, M. L. Pantoya, S. F. Son, B. W. Asay, and J. T. Mang, J. Appl. Phys. 98, 064903 (2005). 10.1063/1.2058175
9. Z. X. Yan, J. H. Wu, S. Ye, D. Hu, and X. D. Yang, J. Appl. Phys. 101, 024905 (2007). 10.1063/1.2425002
10. S. F. Wang, Y. Q. Yang, H. N. Yu, and D. D. Dlott, Propellants, Explos., Pyrotech. 30, 148 (2005). 10.1002/prep.200400097
11. M. Jones, C. H. Li, A. Afjeh, and G. P. Peterson, Nanoscale Res. Lett. 6, 246 (2011). 10.1186/1556-276X-6-246
12. J. Gesner, M. L. Pantoya, and V. I. Levitas, Combust. Flame 159, 3448 (2012). 10.1016/j.combustflame.2012.06.002
13. D. A. Firmansyah, K. Sullivan, K. S. Lee, Y. H. Kim, R. Zahaf, M. R. Zachariah, and D. Lee, J. Phys. Chem. C 116, 404 (2012). 10.1021/jp2095483
14. R. W. Conner and D. D. Dlott, J. Phys. Chem. C 116, 2751 (2012). 10.1021/jp209912t
15. W. K. Lewis, C. G. Rumchik, M. J. Smith, K. A. S. Fernando, C. A. Crouse, J. E. Spowart, E. A. Guliants, and C. E. Bunker, J. Appl. Phys. 113, 044907 (2013). 10.1063/1.4790159
16. Y. Huang, G. A. Risha, V. Yang, and R. A. Yetter, Proc. Combust. Inst. 31, 2001 (2007).
17. Y. S. Kwon, A. A. Gromov, A. P. Ilyin, E. M. Popenko, and G. H. Rim, Combust. Flame 133, 385 (2003). 10.1016/S0010-2180(03)00024-5
18. V. I. Levitas, B. W. Asay, S. F. Son, and M. Pantoya, Appl. Phys. Lett. 89, 071909 (2006). 10.1063/1.2335362
19. B. Dikici, S. W. Dean, M. L. Pantoya, V. I. Levitas, and R. J. Jouet, Energy Fuels 23, 4231 (2009). 10.1021/ef801116x
20. L. T. De Luca, L. Galfetti, F. Severini, L. Meda, G. Marra, A. B. Vorozhtsov, V. S. Sedoi, and V. A. Babuk, Combust., Explos. Shock Waves 41, 680 (2005). 10.1007/s10573-005-0080-5
21. K. Jayaraman, K. V. Anand, D. S. Bhatt, S. R. Chakravarthy, and R. Sarathi, J. Propul. Power 25, 471 (2009). 10.2514/1.36490
22. Y. Huang, G. A. Risha, V. Yang, and R. A. Yetter, Combust. Flame 156, 5 (2009). 10.1016/j.combustflame.2008.07.018
23. A. B. Morgan, J. D. Wolf, E. A. Guliants, K. A. S. Fernando, and W. K. Lewis, Thermochim. Acta 488, 1 (2009). 10.1016/j.tca.2009.01.016
24. A. N. Pivkina, Y. V. Frolov, and D. A. Ivanov, Combust., Explos. Shock Waves 43, 51 (2007). 10.1007/s10573-007-0008-3
25. K. Moore, M. L. Pantoya, and S. F. Son, J. Propul. Power 23, 181 (2007). 10.2514/1.20754
26. Z. X. Yan, J. Deng, and Z. M. Luo, Mater. Charact. 61, 198 (2010). 10.1016/j.matchar.2009.11.010
27. T. Bazyn, P. Lynch, H. Krier, and N. Glumac, Propellants, Explos., Pyrotech. 35, 93 (2010). 10.1002/prep.200900016
28. K. Park, D. Lee, A. Rai, D. Mukherjee, and M. R. Zachariah, J. Phys. Chem. B 109, 7290 (2005). 10.1021/jp048041v
29. S. W. Chung, E. A. Guliants, C. E. Bunker, P. A. Jelliss, and S. W. Buckner, J. Phys. Chem. Solids 72, 719 (2011). 10.1016/j.jpcs.2011.02.021
30. Y. A. Gan and L. Qiao, Combust. Flame 158, 354 (2011). 10.1016/j.combustflame.2010.09.005
31. R. A. Yetter, G. A. Risha, and S. F. Son, Proc. Combust. Inst. 32, 1819 (2009). 10.1016/j.proci.2008.08.013
32. T. Campbell, R. K. Kalia, A. Nakano, P. Vashishta, S. Ogata, and S. Rodgers, Phys. Rev. Lett. 82, 4866 (1999). 10.1103/PhysRevLett.82.4866
33. T. J. Campbell, G. Aral, S. Ogata, R. K. Kalia, A. Nakano, and P. Vashishta, Phys. Rev. B 71, 205413 (2005). 10.1103/PhysRevB.71.205413
34. S. Alavi, J. W. Mintmire, and D. L. Thompson, J. Phys. Chem. B 109, 209 (2005). 10.1021/jp046196x
35. F. H. Streitz and J. W. Mintmire, Phys. Rev. B 50, 11996 (1994). 10.1103/PhysRevB.50.11996
36. D. J. Keffer and J. W. Mintmire, Int. J. Quantum Chem. 80, 733 (2000). 10.1002/1097-461X(2000)80:4/5<733::AID-QUA23>3.0.CO;2-Q
37. P. Puri and V. Yang, J. Nanopart. Res. 12, 2989 (2010). 10.1007/s11051-010-9889-2
38. A. Perron, S. Garruchet, O. Politano, G. Aral, and V. Vignal, J. Phys. Chem. Solids 71, 119 (2010). 10.1016/j.jpcs.2009.09.008
39. G. Gutierrez, A. Taga, and B. Johansson, Phys. Rev. B 65, 012101 (2002). 10.1103%2FPhysRevB.65.012101
40. G. Gutierrez and B. Johansson, Phys. Rev. B 65, 104202 (2002). 10.1103%2FPhysRevB.65.104202
41. P. Vashishta, R. K. Kalia, A. Nakano, and J. P. Rino, J. Appl. Phys. 103, 083504 (2008). 10.1063%2F1.2901171
42. S. P. Chen, A. F. Voter, and D. J. Srolovitz, J. Phys. 49, 157 (1988).
43. W. Q. Wang, R. Clark, A. Nakano, R. K. Kalia, and P. Vashishta, Appl. Phys. Lett. 95, 261901 (2009). 10.1063%2F1.3268436
44. W. Q. Wang, R. Clark, A. Nakano, R. K. Kalia, and P. Vashishta, Appl. Phys. Lett. 96, 181906 (2010). 10.1063%2F1.3425888
45. A. Shekhar, W. Q. Wang, R. Clark, R. K. Kalia, A. Nakano, and P. Vashishta, Appl. Phys. Lett. 102, 221904 (2013). 10.1063%2F1.4809600
46. W. Wang, " Thermal properties of silicon carbide and combustion mechanisms of aluminum nanoparticle.," Department of Materials Science, University of Southern California, 2008.
47. A. Hasnaoui, O. Politano, J. M. Salazar, G. Aral, R. K. Kalia, A. Nakano, and P. Vashishta, Surf. Sci. 579, 47 (2005). 10.1016/j.susc.2005.01.043
48. T. N. Piehler, F. C. DeLucia, C. A. Munson, B. E. Homan, A. W. Miziolek, and K. L. McNesby, Appl. Opt. 44, 3654 (2005). 10.1364/AO.44.003654
49. S. F. Wang, Y. Q. Yang, Z. Y. Sun, and D. D. Dlott, Chem. Phys. Lett. 368, 189 (2003). 10.1016/S0009-2614(02)01846-8
50. G. I. Pangilinan and T. P. Russell, J. Chem. Phys. 111, 445 (1999). 10.1063/1.479322
51. J. L. Prentice, J. Electrochem. Soc. 122, 260 (1975). 10.1149/1.2134192