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arxiv: 1004.3435 · v1 · submitted 2010-04-20 · 🧮 math.NA

The Spectrum of the Force-Based Quasicontinuum Operator for a Homogeneous Periodic Chain

classification 🧮 math.NA
keywords operatorquasicontinuumspectrumarxivconjectureestablishforce-basednumber
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We show under general conditions that the linearized force-based quasicontinuum (QCF) operator has a positive spectrum, which is identical to the spectrum of the quasinonlocal quasicontinuum (QNL) operator in the case of second-neighbour interactions. Moreover, we establish a bound on the condition number of a matrix of eigenvectors that is uniform in the number of atoms and the size of the atomistic region. These results establish the validity of and improve upon recent conjectures ([arXiv:0907.3861, Conjecture 2] and [arXiv:0910.2013, Conjecture 8]) which were based on numerical experiments. As immediate consequences of our results we obtain rigorous estimates for convergence rates of (preconditioned) GMRES algorithms, as well as a new stability estimate for the QCF method.

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