TY - JOUR A1 - Zhao, Jun-Hua A1 - Guo, Wanlin A1 - Rabczuk, Timon T1 - An analytical molecular mechanics model for the elastic properties of crystalline polyethylene JF - Journal of Applied Physics N2 - We present an analytical model to relate the elastic properties of crystalline polyethylene based on a molecular mechanics approach. Along the polymer chains direction, the united-atom (UA) CH2-CH2 bond stretching, angle bending potentials are replaced with equivalent Euler-Bernoulli beams. Between any two polymer chains, the explicit formulae are derived for the van der Waals interaction represented by the linear springs of different stiffness. Then, the nine independent elastic constants are evaluated systematically using the formulae. The analytical model is finally validated by present united-atom molecular dynamics (MD) simulations and against available all-atom molecular dynamics results in the literature. The established analytical model provides an efficient route for mechanical characterization of crystalline polymers and related materials. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1063/1.4745035 ER - TY - JOUR A1 - Talebi, Hossein A1 - Zi, Goangseup A1 - Silani, Mohammad A1 - Samaniego, Esteban A1 - Rabczuk, Timon T1 - A simple circular cell method for multilevel finite element analysis JF - Journal of Applied Mathematics N2 - A simple multiscale analysis framework for heterogeneous solids based on a computational homogenization technique is presented. The macroscopic strain is linked kinematically to the boundary displacement of a circular or spherical representative volume which contains the microscopic information of the material. The macroscopic stress is obtained from the energy principle between the macroscopic scale and the microscopic scale. This new method is applied to several standard examples to show its accuracy and consistency of the method proposed. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1155/2012/526846 ER - TY - JOUR A1 - Chau-Dinh, T. A1 - Zi, Goangseup A1 - Lee, P.S. A1 - Song, Jeong-Hoon A1 - Rabczuk, Timon T1 - Phantom-node method for shell models with arbitrary cracks JF - Computers & Structures N2 - A phantom-node method is developed for three-node shell elements to describe cracks. This method can treat arbitrary cracks independently of the mesh. The crack may cut elements completely or partially. Elements are overlapped on the position of the crack, and they are partially integrated to implement the discontinuous displacement across the crack. To consider the element containing a crack tip, a new kinematical relation between the overlapped elements is developed. There is no enrichment function for the discontinuous displacement field. Several numerical examples are presented to illustrate the proposed method. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1016/j.compstruc.2011.10.021 ER - TY - JOUR A1 - Talebi, Hossein A1 - Samaniego, C. A1 - Samaniego, Esteban A1 - Rabczuk, Timon T1 - On the numerical stability and mass-lumping schemes for explicit enriched meshfree methods JF - International Journal for Numerical Methods in Engineering N2 - Meshfree methods (MMs) such as the element free Galerkin (EFG)method have gained popularity because of some advantages over other numerical methods such as the finite element method (FEM). A group of problems that have attracted a great deal of attention from the EFG method community includes the treatment of large deformations and dealing with strong discontinuities such as cracks. One efficient solution to model cracks is adding special enrichment functions to the standard shape functions such as extended FEM, within the FEM context, and the cracking particles method, based on EFG method. It is well known that explicit time integration in dynamic applications is conditionally stable. Furthermore, in enriched methods, the critical time step may tend to very small values leading to computationally expensive simulations. In this work, we study the stability of enriched MMs and propose two mass-lumping strategies. Then we show that the critical time step for enriched MMs based on lumped mass matrices is of the same order as the critical time step of MMs without enrichment. Moreover, we show that, in contrast to extended FEM, even with a consistent mass matrix, the critical time step does not vanish even when the crack directly crosses a node. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1002/nme.3275 SP - 1009 EP - 1027 ER - TY - JOUR A1 - Talebi, Hossein A1 - Zi, Goangseup A1 - Silani, Mohammad A1 - Samaniego, Esteban A1 - Rabczuk, Timon T1 - A simple circular cell method for multilevel finite element analysis JF - Journal of Applied Mathematics N2 - A simple multiscale analysis framework for heterogeneous solids based on a computational homogenization technique is presented. The macroscopic strain is linked kinematically to the boundary displacement of a circular or spherical representative volume which contains the microscopic information of the material. The macroscopic stress is obtained from the energy principle between the macroscopic scale and the microscopic scale. This new method is applied to several standard examples to show its accuracy and consistency of the method proposed. KW - Finite-Elemente-Methode KW - Feststoff Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170426-31639 ER -