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HomeSolid State PhenomenaSolid State Phenomena Vols. 121-123Investigation on the Crystalline Process of Co-Cu...

Investigation on the Crystalline Process of Co-Cu Nanoparticle during the Annealing

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Abstract:

This study uses molecular dynamics simulations to investigate the crystalline process of Co-Cu nanoparticles of high and low Co concentrations (5 and 25 %) during the annealing process. The modified many-body tight binding potential is adopted to accurately model the Cu-Cu, Co-Co, and Co-Cu pair inter-atomic interactions. The structural transformations at the upper and lower melting points are observed by the radial distribution function (RDF) and the angle correction function (ACF).

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Periodical:

Solid State Phenomena (Volumes 121-123)

Pages:

163-166

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.121-123.163

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Online since:

March 2007

Authors:

Shih Jye Sun, Shin Pon Ju, Yu Chieh Lo, Jenn Sen Lin

Keywords:

Annealing, Co-Cu Nanoparticle, Modified Tight Binding Potential, Molecular Dynamic Simulation

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© 2007 Trans Tech Publications Ltd. All Rights Reserved

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[17] F. Cleri, and V. Rosato, Physical Review B, Vol. 48 (1993), P. 22. Table I. Parameters used in tight-binding potential. Parameters ).

[1] eVA ).

eVA (eV)ξ p q o 0(A)r Cu 0. 0 0. 086 1. 224 10. 960 2. 278 2. 556 Co -0. 852 0. 139 1. 5247 7. 679 2. 139 2. 378 Co-Cu -1. 905 -0. 049 0. 7356 8. 183 3. 344 2. 405.

20 40 60 80 100 120 140 160 180 Angle (θ).

[1] [2] [3] [4] ACF Co concentration, x=05 810K 810K-Co 810K-Cu 910K 910K-Co 910K-Cu.

20 40 60 80 100 120 140 160 180 Angle (θ).

[1] [2] [3] [4] ACF Co concentration, x=25 1140K 1140K-co 1140K-cu 1260K 1260K-co 1260K-cu Fig. 1 The variation of potential energy of Cu-Co nanoparticles in annealing process 1. 5 2 2. 5 3 3. 5 4 4. 5 5 5. 5 6 6. 5 7 7. 5 R (Angstroms).

[2] [4] [6] [8] [10] [12] [14] [16] RDF A.

[2] 3 4 5 6 7.

[2] [4] [6] [8] [10] [12] [14] [16] 1260K 1260K-Co 1260K-Cu 1140K 1140K-Co 1140K-Cu Fig. 2 The RDF profiles of Cu-Co nanoparticles at upper and lower melting in annealing process for (a) 5 %; (b) 25 % Co concentration (a) (a) (b) Fig. 3 The ACF profiles of Cu-Co nanoparticles at upper and lower melting in annealing process for (a) 5 %; (b) 25 % Co concentration.

DOI: 10.1016/0042-207x(91)91129-c

200 400 600 800 1000 1200 1400 1600 1800 2000 Temperature (K) -36000 -34000 -32000 -30000 -28000 -26000 Total Potential Energy (eV) Co concentration x=05 x=25 annealing direction 910K 810K 1260K 1140K 1. 5 2 2. 5 3 3. 5 4 4. 5 5 5. 5 6 6. 5 7 7. 5 R (Angstroms).

[2] [4] [6] [8] [10] [12] [14] [16] RDF.

[2] 3 4 5 6 7.

[2] [4] [6] [8] [10] [12] [14] [16] 910K 910K-Co 910K-Cu 810K 810K-Co 810K-Cu A (b).