Positive Definiteness of the Blended Force-Based Quasicontinuum Method
نویسندگان
چکیده
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.
منابع مشابه
Stress-based Atomistic/continuum Coupling: a New Variant of the Quasicontinuum Approximation
The force-based quasicontinuum (QCF) approximation is the principle that lies behind the most commonly used atomistic/continuum hybrid models for crystalline solids. Recent analyses have shown some potential pitfalls of the QCF method, particularly the lack of positive definiteness of the linearized QCF operator and the lack of uniform stability as the number of atoms tends to infinity. We deri...
متن کاملTheory-based benchmarking of the blended force-based quasicontinuum method
Article history: Received 5 April 2013 Received in revised form 27 August 2013 Accepted 7 October 2013 Available online 28 October 2013
متن کاملSharp Stability Estimates for the Force-based Quasicontinuum Method
A sharp stability analysis of atomistic-to-continuum coupling methods is essential for evaluating their capabilities for predicting the formation and motion of lattice defects. We formulate a simple one-dimensional model problem and give a detailed analysis of the stability of the force-based quasicontinuum (QCF) method. The focus of the analysis is the question whether the QCF method is able t...
متن کاملto appear in Mathematical Modelling and Numerical Analysis ANALYSIS OF A FORCE-BASED QUASICONTINUUM APPROXIMATION
Abstract. 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 can be 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 contin...
متن کاملSharp Stability Estimates for the Force-Based Quasicontinuum Approximation of Homogeneous Tensile Deformation
The accuracy of atomistic-to-continuum hybrid methods can be guaranteed only for deformations where the lattice configuration is stable for both the atomistic energy and the hybrid energy. For this reason, a sharp stability analysis of atomistic-to-continuum coupling methods is essential for evaluating their capabilities for predicting the formation of lattice defects. We formulate a simple one...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Multiscale Modeling & Simulation
دوره 10 شماره
صفحات -
تاریخ انتشار 2012