采用Tersoff势对硅烯薄膜剪切破坏过程进行分子动力学模拟，研究了不同温度对锯齿型和扶手椅型硅烯薄膜剪切力学特性的影响，得到相应的应力-应变曲线关系以及剪切破坏形态。结果表明，硅烯薄膜的剪切模量、剪切强度和极限剪切应变随温度增加均明显下降。
The failure process of silicene sheets under shear deformation was simulated by molecular dynamics method with Tersoff potential. The temperature effects on the shear properties of zigzag and armchair silicene sheets were analyzed,and corresponding stress-strain relationships and shear failure modes were obtained. The results indicate that the shear modulus,the shear strength and limit shear strain of silicene are significantly reduced with the increase of temperature.
参考文献
| [1] | Takeda K;Shiraishi K .Theoretical possibility of stage orruga-tion in Si and Ge analogs of graphite[J].Physical Review B,1994,50(20):14916. |
| [2] | Novoselov K S;Geim A K;Morozov S V et al.Electric field ef-fect in atomically thin carbon films[J].Science,2004,306(5696):666-669. |
| [3] | Xu, M.;Liang, T.;Shi, M.;Chen, H. .Graphene-like two-dimensional materials[J].Chemical Reviews,2013(5):3766-3798. |
| [4] | Zhen Li;Hongwei Zhu;Kunlin Wang .Ethanol flame synthesis of highly transparent carbon thin films[J].Carbon: An International Journal Sponsored by the American Carbon Society,2011(1):237-241. |
| [5] | Guzman-Verri GG;Voon LCLY .Electronic structure of silicon-based nanostructures[J].Physical review, B. Condensed matter and materials physics,2007(7):5131-1-5131-10-0. |
| [6] | Physics and chemistry of silicene nano-ribbons[J].Applied Surface Science: A Journal Devoted to the Properties of Interfaces in Relation to the Synthesis and Behaviour of Materials,2009(2):524. |
| [7] | Paola De Padova;Claudio Quaresima;Carlo Ottaviani;Polina M. Sheverdyaeva;Paolo Moras;Carlo Carbone;Dinesh Topwal;Bruno Olivieri;Abdelkader Kara;Hamid Oughaddou;Bernard Aufray;Guy Le Lay .Evidence of graphene-like electronic signature in silicene nanoribbons[J].Applied physics letters,2010(26):261905-1-261905-3. |
| [8] | Patrick Vogt;Paola De Padova;Claudio Quaresima;Jose Avila;Emmanouil Frantzeskakis;Maria Carmen Asensio;Andrea Resta;Benedicte Ealet;Guy Le Lay .Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon[J].Physical review letters,2012(15):155501.1-155501.5. |
| [9] | Balandin AA;Ghosh S;Bao WZ;Calizo I;Teweldebrhan D;Miao F;Lau CN .Superior thermal conductivity of single-layer graphene[J].Nano letters,2008(3):902-907. |
| [10] | Keun Soo Kim;Yue Zhao;Houk Jang;Sang Yoon Lee;Jong Min Kim;Kwang S. Kim;Jong-Hyun Ann;Philip Kim;Jae-Young Choi;Byung Hee Hong .Large-scale Pattern Growth Of Graphene Films For Stretchable Transparent Electrodes[J].Nature,2009(7230):706-710. |
| [11] | Lan Chen;Cheng-Cheng Liu;Baojie Feng;Xiaoyue He;Peng Cheng;Zijing Ding;Sheng Meng;Yugui Yao;Kehui Wu .Evidence for Dirac Fermions in a Honeycomb Lattice Based on Silicon[J].Physical review letters,2012(5):56804.1-56804.5. |
| [12] | Scalise E;Houssa M;Pourtois G et al.Vibrational properties of silicene and germanene[J].Nano Research,2013,6(01):19-28. |
| [13] | Meng, L.;Wang, Y.;Zhang, L.;Du, S.;Wu, R.;Li, L.;Zhang, Y.;Li, G.;Zhou, H.;Hofer, W.A.;Gao, H.-J. .Buckled silicene formation on Ir(111)[J].Nano letters,2013(2):685-690. |
| [14] | Tsai W;Huang C;Chang T et al.Gated silicene as a tunable source of nearly 100% spin-polarized electrons[J].Nature Communications,2013,4:1500. |
| [15] | Jun Kang;Fengmin Wu;Jingbo Li .Symmetry-dependent transport properties and magnetoresistance in zigzag silicene nanoribbons[J].Applied physics letters,2012(23):233122-1-233122-4. |
| [16] | Wei Hu;Xiaojun Wu;Zhenyu Li .Porous silicene as a hydrogen purification membrane[J].Physical chemistry chemical physics: PCCP,2013(16):5753-5757. |
| [17] | Lian C;Ni J .Strain induced phase transitions in silicene bi-layers:a first principles and tight-binding study[J].Aip Ad-vances,2013,3(05):052102. |
| [18] | Hu, M.;Zhang, X.;Poulikakos, D. .Anomalous thermal response of silicene to uniaxial stretching[J].Physical review, B. Condensed matter and materials physics,2013(19):195417-1-195417-11. |
| [19] | Tersoff J .Modeling solid-state chemistry:interatomic poten-tials for multicomponent systems[J].Physical Review B,1989,39(08):5566-5568. |
| [20] | Allen M P;Tildesley D J.Computer Simulation of Liquids[M].Oxford:clarendon Press,1987:78-82. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%