Mechanical properties of chiral and achiral silicon carbide nanotubes under oxygen chemisorption
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| 024 | 7 | 0 | |a 10.1007/s00894-015-2607-3 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2607-3 | ||
| 245 | 0 | 0 | |a Mechanical properties of chiral and achiral silicon carbide nanotubes under oxygen chemisorption |h [Elektronische Daten] |c [R. Ansari, M. Mirnezhad, M. Hosseinzadeh] |
| 520 | 3 | |a In this paper, the mechanical properties of fully oxygenated silicon carbide nanotubes (O2-SiCNTs) are explored using a molecular mechanics model joined with the density functional theory (DFT). The closed-form analytical expressions suggested in this study can easily be adapted for nanotubes with different chiralities. The force constants of molecular mechanics model proposed herein are derived through DFT within a generalized gradient approximation. Moreover, the mechanical properties of fully oxygenated silicon carbide (O2-SiC) sheet are evaluated for the case that the oxygen atoms are adsorbed on one side of the SiC sheet. According to the results obtained for the bending stiffness of O2-SiC sheet, one can conclude that the O2-SiC sheet has isotropic characteristics. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Density functional theory |2 nationallicence | |
| 690 | 7 | |a Mechanical properties |2 nationallicence | |
| 690 | 7 | |a Molecular mechanics model |2 nationallicence | |
| 690 | 7 | |a Oxygenated silicon carbide sheet |2 nationallicence | |
| 690 | 7 | |a Oxygenated silicon carbide nanotubes |2 nationallicence | |
| 700 | 1 | |a Ansari |D R. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | |
| 700 | 1 | |a Mirnezhad |D M. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | |
| 700 | 1 | |a Hosseinzadeh |D M. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/3(2015-03-01), 1-7 |x 1610-2940 |q 21:3<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2607-3 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2607-3 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Ansari |D R. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Mirnezhad |D M. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Hosseinzadeh |D M. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/3(2015-03-01), 1-7 |x 1610-2940 |q 21:3<1 |1 2015 |2 21 |o 894 | ||