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arXiv math/0611543math.NAcs.NAmath-phmath.MP
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基于力的准连续近似分析

Analysis of a Force-Based Quasicontinuum Approximation

Matthew Dobson, Mitchell Luskin

AI总结:

本文分析了一维原子系统的基于力的准连续近似,证明了其在适当载荷下解的唯一性,并研究了鬼力迭代法的收敛性。

摘要:

我们分析了一个一维原子系统的基于力的准连续近似,其中原子通过经典原子势相互作用。该基于力的准连续近似是通过在基于能量的准连续近似中添加非保守力来修正原子-连续界面中出现的非物理“鬼”力而导出的。我们证明了在适当的载荷限制下,基于力的准连续方程具有唯一解。对于Lennard-Jones次近邻相互作用,我们证明了解在对称区域(几乎延伸到拉伸极限)内存在且唯一。我们给出了求解基于力的准连续近似平衡方程的鬼力迭代法的收敛性分析。我们证明了鬼力迭代是一个压缩映射,并给出了其收敛速度的分析。

英文摘要:

We analyze a force-based quasicontinuum approximation to a one-dimensional system of atoms that interact by a classical atomistic potential. This force-based quasicontinuum approximation is derived as the modification of an energy-based quasicontinuum approximation by the addition of nonconservative forces to correct nonphysical ``ghost'' forces that occur in the atomistic to continuum interface. We prove that the force-based quasicontinuum equations have a unique solution under suitable restrictions on the loads. For Lennard-Jones next-nearest-neighbor interactions, we show that unique solutions exist for loads in a symmetric region extending nearly to the tensile limit. We give an analysis of the convergence of the ghost force iteration method to solve the equilibrium equations for the force-based quasicontinuum approximation. We show that the ghost force iteration is a contraction and give an analysis for its convergence rate.

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