Positive definiteness of the blended force-based quasicontinuum method
X. H. Li, M. Luskin and C. Ortner
Multiscale Modeling and Simulation, 10, 1023–1045 (2012).

ABSTRACT

The development of consistent and stable quasicontinuum models for multidimensional crystalline solids remains a challenge. For example, proving the stability of the force-based quasicontinuum (QCF) model [M. Dobson and M. Luskin, M2AN Math. Model. Numer. Anal., 42 (2008), pp. 113-139] remains an open problem. In one and two dimensions, we show that by blending atomistic and Cauchy-Born continuum forces (instead of a sharp transition as in the QCF method) one obtains positive-definite blended force-based quasicontinuum (B-QCF) models. We establish sharp conditions on the required blending width.