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论文类型：期刊论文

发表时间：2007-05-01

发表刊物：INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES

收录刊物：SCIE、EI

卷号：44

期号：9

页面范围：2783-2801

ISSN号：0020-7683

关键字：parametric variational principle; generalized parametric constitutive law; quadratic programming method; molecular mechanics; finite element method

摘要：A parametric variational principle for van der Waals force simulation between any two adjacent nonbonded atoms and the corresponding improved quadratic programming method for numerical simulation of mechanical behaviors of carbon nanotubes are developed. Carbon nanotubes are modeled and computed based on molecular structural mechanics model. van der Waals force is simulated by the network of bars (called bar network) with a special nonlinear mechanical constitutive law (called generalized parametric constitutive law) in the finite element analysis. Compared with conventional numerical methods, the proposed method does not depend on displacement and stress iteration, but on the base exchanges in the solution of a standard quadratic programming problem. Thus, the model and method developed present very good convergence behavior in computation and provide accurate predictions of the mechanical behaviors and displacement distributions in the nanotubes. Numerical results demonstrate the validity and the efficiency of the proposed method. (c) 2006 Elsevier Ltd. All rights reserved.