学术
基于界带模型的碳纳米管声子谱的辛分析
姚征[1] 张洪武[2] 王晋宝[2] 钟万勰[2]
[1]大连海事大学交通与物流工程学院,大连116026 [2]大连理工大学运载工程与力学学部工程力学系,工业装备结构分析国家重点实验室,大连116023
摘 要:
针对碳纳米管声子谱的数值计算方法研究，基于对偶体系和辛几何算法提出了一套全新的计算方法和相应的界带结构模型，通过将碳纳米管模拟成不同的结构力学模型，利用分析结构力学中的振动理论来计算碳纳米管的色散关系．理论框架包括：周期结构的变分原理、周期结构中波的传播分析、子结构方法、界带理论和声子色散关系的基本算法．数值算例验证了理论和算法的有效性，而且也指出了针对碳纳米管的声子谱的计算，界带模型相对于其它传统模型存在着一定的优势．[著者文摘]
文章出处:
《固体力学学报》-2008年29卷1期 -13-22页
SYMPLECTIC ANALYSIS FOR PHONON DISPERSION OF CARBON NANOTUBES BASED ON INTER-BELT MODEL
Zheng Yao, Hongwu Zhang, Jinbao Wang, Wanxie Zhong （1. Transportation and Logistics Engineering College, Dalian Maritime University, Dalian , 116026;2. Department of Engineering Mechanics, State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian, 116024）
Abstract:
A new theory and the corresponding inter-belt model for phonon dispersion analysis of carbon nanotubes are developed for phonon dispersion analysis of carbon nanotubes based on the symplectic theory and algorithm established in applied mechanics in recent years. Carbon nanotubes are simulated by different structural mechanics models, i.e. the conventional sub-structure model and the inter-belt model. The vibration theory used in analytical structure mechanics is adopted for phonon dispersion analysis of carbon nanotubes. The theoretical frame developed in current research consists of the following aspects： variational principle for periodic structure, wave propagation analysis in periodic structure, substructure method, inter-belt theory and the basic algorithm for phonon dispersion analysis. Numerical examples are carried out for the validity of the theory and algorithm developed. It can be found that the inter-belt model has more advantages than the conventional sub-structure model in calculating of phonon spectra of nanotubes.[著者文摘]
Key words:
inter-belt model, symplectic method, carbon nanotube, phonon dispersion analysis, sub- structure technique
基金资助:
国家自然科学基金（10632030,10225212,10421402,10640420176）和国家重点基础研究项目（2005CB321704）资助.
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