Thermochemical behavior of nickel-coated nanoaluminum particles

Journal of Physical Chemistry C

Volumn 117, Issue 15, 2013, Pages 7858-7869

  Sundaram, Dilip S ^a   Puri, Puneesh ^a,b   Yang, Vigor ^a  

^a Georgia Institute of Technology   (United States)

^b INTEL CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EMBEDDED-ATOM METHOD; EXPONENTIAL DEPENDENCE; IGNITION TEMPERATURES; INTERMETALLIC REACTION; MECHANICAL CONSTRAINTS; MOLECULAR DYNAMICS SIMULATIONS; THERMOCHEMICAL BEHAVIOR; THERMODYNAMIC ENERGY;

ACTIVATION ENERGY; ALUMINUM; ALUMINUM POWDER METALLURGY; ATOMS; CORE MELTDOWN; DIFFUSION; MELTING POINT; MOLECULAR DYNAMICS; NICKEL; NICKEL COATINGS;

SHELLS (STRUCTURES);

EID: 84876542600     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp312436j     Document Type: Article

References (56)

1. Price, E. W.; Sigman, R. K. Solid Propellant Chemistry, Combustion, and Motor Interior Ballistics; Yang, V., Brill, T. B., Ren, W. Z., Eds.; AIAA Progress in Astronautics and Aeronautics: Reston, VA, 2000; Vol. 185; pp 663-687.
2. Trunov, M. A.; Schoenitz, M.; Dreizin, E. L. Effect of Polymorphic Phase Transformations in Alumina Layer on Ignition of Aluminum Particles Combust. Theory Modell. 2006, 10, 603-623
3. Campbell, T.; Kalia, R. K.; Nakano, A.; Vashishta, P. Dynamics of Oxidation of Aluminum Nanoclusters using Variable Charge Molecular-Dynamics Simulations on Parallel Computers Phys. Rev. Lett. 1999, 82, 4866-4869
4. Huang, Y.; Risha, G. A.; Yang, V.; Yetter, R. A. Effect of Particle Size on Combustion of Aluminum Particle Dust in Air Combust. Flame 2009, 156, 5-13
5. Foley, T. J.; Johnson, C. E.; Higa, K. T. Inhibition of Oxide Formation on Aluminum Nanoparticles by Transition Metal Coating Chem. Mater. 2005, 17, 4086-4091
6. Uchikoshi, T.; Sakka, Y.; Yoshitake, M.; Yoshihara, K. A Study of the Passivating Oxide Layer on Fine Nickel Particles Nanostruct. Mater. 1994, 4, 199-206
7. Shafirovich, E.; Mukasyan, A.; Thiers, L.; Varma, A.; Legrand, B.; Chauveau, C.; Gokalp, I. Ignition and Combustion of Al Particles Clad by Ni Combust. Sci. Technol. 2002, 174, 125-140
8. Yagodnikov, D. A.; Voronetskii, A. V. Experimental and Theoretical Study of the Ignition and Combustion of an Aerosol of Encapsulated Aluminum Particles Combust., Explos. Shock Waves (Engl. Transl.) 1997, 33, 49-55
9. Andrzejak, T. A.; Shafirovich, E.; Varma, A. Ignition Mechanism of Nickel-Coated Aluminum Particles Combust. Flame 2007, 150, 60-70
10. Ilyin, A. P.; Gromov, A. A.; Vereshchagin, V. I.; Popenko, E. M.; Surgin, V. A.; Lehn, H. Combustion of Agglomerated Ultrafine Aluminum Powders in Air Combust., Explos. Shock Waves (Engl. Transl.) 2001, 37, 664-669
11. Kwon, Y. S.; Gromov, A. A.; Ilyin, A. P.; Popenko, E. M.; Rim, G. H. The Mechanism of Combustion of Superfine Aluminum Powders Combust. Flame 2003, 133, 385-391
12. Pivkina, A.; Ulyanov, P.; Frolov, Y.; Zavyolov, S.; Schoonman, J. Nanomaterials for Heterogeneous Combustion Propellants, Explos., Pyrotech. 2004, 29, 39-48
13. Klabunde, K. J.; Stark, J.; Koper, O.; Mohs, C.; Park, D. G.; Decker, S.; Jiang, Y.; Lagadic, I.; Zhang, D. Nanocrystals as Stoichiometric Reagents with Unique Surface Chemistry J. Phys. Chem. 1996, 100, 12142-12153
14. Puri, P.; Yang, V. Effect of Particle Size on Melting of Aluminum at Nano Scales J. Phys. Chem. C 2007, 111, 11776-11783
15. Rai, A.; Lee, D.; Park, K.; Zachariah, M. R. Importance of Phase Change of Aluminum in Oxidation of Aluminum Nanoparticles J. Phys. Chem. B 2004, 108, 14793-14795
16. Risha, G. A.; Son, S. F.; Yetter, R. A.; Yang, V.; Tappan, B. C. Combustion of Nano-Aluminum and Liquid Water Proc. Combust. Inst. 2007, 31, 2029-2036
17. Puri, P.; Yang, V. Thermomechanical Behavior of Nanoaluminum Particles with Oxide Layers During Melting J. Nanopart. Res. 2010, 12, 2989-3002
18. Delogu, F. Numerical Simulation of the Thermal Response of Al Core/Ni Shell Nanometer-Sized Particles Nanotechnology 2007, 18, 505702
19. Henz, B. J.; Hawa, T.; Zachariah, M. Molecular Dynamics Simulation of the Energetic Reaction between Ni and Al Nanoparticles J. Appl. Phys. 2009, 105, 124310
20. Evteev, A. V.; Levchenko, E. V.; Riley, D. P.; Belova, I. V.; Murch, G. E. Reaction of a Ni-Coated Al Nanoparticles to Form B2-NiAl: A Molecular Dynamics Study Philos. Mag. Lett. 2009, 89, 815-830
21. Andersen, H. C. Molecular Dynamics Simulations at Constant Pressure and/or Temperature J. Chem. Phys. 1980, 72, 2384-2393
22. Nose, S. A Unified Formulation of the Constant Temperature Molecular Dynamics Methods J. Chem. Phys. 1984, 81, 511-519
23. Tuckerman, M. E. Statistical Mechanics: Theory and Molecular Simulation; Oxford University Press: New York, 2010.
24. Shibuta, Y.; Suzuki, T. A Molecular Dynamics Study of Cooling Rate during Solidification of Metal Particles Chem. Phys. Lett. 2011, 502, 82-86
25. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1989.
26. Zhuo, Y.; Karplus, M.; Ball, K. D.; Berry, R. S. The Distance Fluctuation Criterion for Melting: Comparison of Square-Well and Morse Potential Models for Clusters and Homopolymers J. Chem. Phys. 2002, 116, 2323-2329
27. Gezelter, J. D.; Rabani, E.; Berne, B. J. Can Imaginary Instantaneous Normal Mode Frequencies Predict Barriers to Self-Diffusion? J. Chem. Phys. 1997, 107, 4618-4627
28. Daw, M. S.; Baskes, M. I. Embedded-Atom Method: Derivation and Application to Impurities, Surfaces, and Other Defects in Metals Phys. Rev. B 1984, 29, 6443-6453
29. Cleri, F.; Rosato, V. Tight-Binding Potentials for Transition Metals and Alloys Phys. Rev. B 1993, 48, 22-33
30. Krissinel, E. B.; Jellinek, J. 13-Atom Ni-Al Alloy Clusters: Structures and Dynamics Int. J. Quantum Chem. 1997, 62, 185-197
31. Delogu, F. Demixing Phenomena in NiAl Nanometer-Sized Particles Nanotechnology 2007, 18, 065708
32. Kittel, C. Introduction to Solid State Physics; Wiley: New York, 1966.
33. Brandes, E. A.; Brook, G. B. Smithells Metals Reference Handbook; Butterworth-Heinemann: Oxford, U.K., 1992.
34. Kubaschewski, O.; Alcock, C. B.; Spencer, P. J. Materials Thermochemistry; Pergamon Press: Oxford, U.K., 1993.
35. Puri, P.; Yang, V. Effect of Voids and Pressure on Melting of Nano-Particulate and Bulk Aluminum J. Nanopart. Res. 2009, 11, 1117-1127
36. Mei, Q. S.; Lu, K. Melting and Superheating of Crystalline Solids: From Bulk to Nanocrystals Prog. Mater. Sci. 2007, 52, 1175-1262
37. Qi, Y.; Cagin, T.; Johnson, W. L.; Goddard, W. A. Melting and Crystallization in Ni Nanoclusters: The Mesocale Regime J. Chem. Phys. 2001, 115, 385-394
38. Eckert, J.; Holzer, J. C.; Ahn, C. C.; Fu, Z.; Johnson, W. L. Melting Behavior of Nanocrystalline Aluminum Powders Nanostruct. Mater. 1993, 2, 407-413
39. Lai, S. L.; Carlsoon, J. R. A.; Allen, L. H. Melting Point Depression of Al Clusters Generated during the Early Stages of Film Growth: Nanocalorimetry Measurements Appl. Phys. Lett. 1998, 72, 1098-1100
40. Levitas, V. I.; Samani, K. Size and Mechanics Effects in Surface-Induced Melting of Nanoparticles Nat. Commun. 2011, 2, 284
41. Levitas, V. I.; Samani, K. Coherent Solid/Liquid Interface with Stress Relaxation in a Phase-Field Approach to the Melting/Solidification Transition Phys. Rev. B 2011, 84, 140103
42. Luo, S. N.; Ahrens, T. J. Superheating Systematics of Crystalline Solids Appl. Phys. Lett. 2003, 82, 1836-1838
43. Daeges, J.; Gleiter, H.; Perepezko, J. H. Superheating of Metal Crystals Phys. Lett. A 1986, 119, 79-82
44. Zhong, J.; Zhang, L. H.; Jin, Z. H.; Sui, M. L.; Lu, K. Superheating of Ag Nanoparticles Embedded in Ni Matrix Acta Mater. 2001, 49, 2897-2904
45. 3 Shells Without Epitaxial Interface Acta Mater. 2005, 53, 1059-1066
46. Sheng, H. W.; Ren, G.; Peng, L. M.; Hu, Z. Q.; Lu, K. Superheating and Melting-Point Depression of Pb Nanoparticles Embedded in Al Matrices Philos. Mag. Lett. 1996, 73, 179-186
47. Lu, K.; Jin, Z. H. Melting and Superheating of Low-Dimensional Materials Curr. Opin. Solid State Mater. Sci. 2001, 5, 39-44
48. Jin, Z. H.; Sheng, H. W.; Lu, K. Melting of Pb Clusters Without Free Surfaces Phys. Rev. B. 1999, 60, 141-149
49. Hu, R.; Nash, P. The Enthalpy of Formation of NiAl J. Mater. Sci. 2005, 40, 1067-1069
50. Alexander, C. A.; Ogden, J. S.; Risser, S. M.; Wood, V. E. Thermodynamic Characterization of NiAl J. Chem. Thermodyn. 2009, 41, 610-616
51. Massalski, T. B. Binary Phase Diagrams; ASM International: Materials Park, OH, 1992.
52. Liu, W.; Dupont, J. N. In-Situ Reactive Processing of Nickel Aluminides by Laser-Engineered Net Shaping Metall. Mater. Trans. A 2003, 34, 2633-2641
53. Henz, B. J. Molecular Dynamics Studies of Metallic Nanoparticles. Ph.D. Thesis, University of Maryland, 2009.
54. Levitas, V. I. Burn Time of Aluminum Nanoparticles: Strong Effect of the Heating Rate and Melt Dispersion Mechanism Combust. Flame 2009, 156, 543-546
55. Levitas, V. I.; Pantoya, M.; Chauhan, G.; Rivero, L. Effect of the Alumina Shell on the Melting Temperature Depression for Aluminum Nanoparticles J. Phys. Chem. C 2009, 113, 14088-14096
56. Sun, J.; Simon, S. L. The Melting Behavior of Aluminum Nanoparticles Thermochim. Acta 2007, 453, 32-40