2018-Sustainable Industrial Processing Summit
SIPS2018 Volume 4. Mamalis Intl. Symp. / Advanced Manufacturing
| Editors: | F. Kongoli, A. G. Mamalis, K. Hokamoto |
| Publisher: | Flogen Star OUTREACH |
| Publication Year: | 2018 |
| Pages: | 352 pages |
| ISBN: | 978-1-987820-88-1 |
| ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
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Surface Relaxation and Stress on Ti/Graphene Systems
Sergii Sidorenko1; Weiping Gong2; Zhaohui Guo2; S. Konorev1; S.M. Voloshko1;1IGOR SIKORSKY KYIV POLYTECHNIC INSTITUTE, Kyiv, Ukraine; 2HUIZHOU UNIVERSITY, Huizhou, China;
Type of Paper: Regular
Id Paper: 182
Topic: 48
Abstract:
Graphene can be used as a top contact in the solar cell, because it has good values of conductivity, optical transparency, and mechanical properties. Thus, the study of graphene influence on the structure and properties of materials surfaces is highly interesting [1].
In our previous work, we studied the "bcc Fe / Graphene" system. In this work, we performed the research on the "hcp Ti / Graphene" system. Modified embedded atom method (MEAM) [2] describes the relaxation processes well, even the anomalous [3]. Molecular dynamics and MEAM potential was used to study of relaxation surfaces (0001), (1-100), (11-20) Ti before and after the graphene coating for two temperatures: 300K and 400K.
Interplanar distances, atoms distribution along a normal to the surface, radial distribution function for surface layers were calculated. Their analysis is presented in this report. The form of the relaxation changes after the graphene coating. Reconstruction of the surface layer was detected in the system (11-20) Ti/graphene. The relief of the structure was demonstrated for different surfaces.Total and axial stresses were calculated for all systems and for the systems' components separately. Their analysis is also presented.
Comparison of the results for the "bcc Fe / Graphene" and "hcp Ti / Graphene" systems were conducted. Data analysis allows conclusions to be drawn about time-temperature stability of the system, and its potential use in solar energy.
Keywords:
Nanotechnology/Nanomaterials manufacturing; Shock treatment; Solar cells; Surface engineering/Wear, Non-conventional techniques;References:
[1] A.K. Geim, Science, 324, No. 5934: 1530(2009)[2] Baskes M I 1992 //Phys. Rev. B 46 2727
[3] Jun Wan, Y.L. Fan, D.W. Gong, S.G. Shenand, X.Q. Fan//Modelling. Simul. Mater. Sci. Eng. 7 (1999) 189-206.