Size dependent melting mechanisms of iron nanoclusters
Publication
, Journal Article
Duan, H; Ding, F; Rosén, A; Harutyunyan, AR; Curtarolo, S; Bolton, K
Published in: Chemical Physics
March 6, 2007
Molecular dynamics simulations were used to study the change in the mechanism of iron cluster melting with increasing cluster size. Melting of smaller clusters (e.g., Fe55 and Fe100) occurs over a large temperature interval where the phase of the cluster repeatedly oscillates between liquid and solid. In contrast, larger clusters (e.g., Fe300) have sharper melting points with surface melting preceding bulk melting. The importance of the simulation time, the force field and the definition of cluster melting is also discussed. © 2007 Elsevier B.V. All rights reserved.
Duke Scholars
Published In
Chemical Physics
DOI
ISSN
0301-0104
Publication Date
March 6, 2007
Volume
333
Issue
1
Start / End Page
57 / 62
Related Subject Headings
- Chemical Physics
- 51 Physical sciences
- 40 Engineering
- 34 Chemical sciences
- 09 Engineering
- 03 Chemical Sciences
- 02 Physical Sciences
Citation
APA
Chicago
ICMJE
MLA
NLM
Duan, H., Ding, F., Rosén, A., Harutyunyan, A. R., Curtarolo, S., & Bolton, K. (2007). Size dependent melting mechanisms of iron nanoclusters. Chemical Physics, 333(1), 57–62. https://doi.org/10.1016/j.chemphys.2007.01.005
Duan, H., F. Ding, A. Rosén, A. R. Harutyunyan, S. Curtarolo, and K. Bolton. “Size dependent melting mechanisms of iron nanoclusters.” Chemical Physics 333, no. 1 (March 6, 2007): 57–62. https://doi.org/10.1016/j.chemphys.2007.01.005.
Duan H, Ding F, Rosén A, Harutyunyan AR, Curtarolo S, Bolton K. Size dependent melting mechanisms of iron nanoclusters. Chemical Physics. 2007 Mar 6;333(1):57–62.
Duan, H., et al. “Size dependent melting mechanisms of iron nanoclusters.” Chemical Physics, vol. 333, no. 1, Mar. 2007, pp. 57–62. Scopus, doi:10.1016/j.chemphys.2007.01.005.
Duan H, Ding F, Rosén A, Harutyunyan AR, Curtarolo S, Bolton K. Size dependent melting mechanisms of iron nanoclusters. Chemical Physics. 2007 Mar 6;333(1):57–62.
Published In
Chemical Physics
DOI
ISSN
0301-0104
Publication Date
March 6, 2007
Volume
333
Issue
1
Start / End Page
57 / 62
Related Subject Headings
- Chemical Physics
- 51 Physical sciences
- 40 Engineering
- 34 Chemical sciences
- 09 Engineering
- 03 Chemical Sciences
- 02 Physical Sciences