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Портал Begell Электронная Бибилиотека e-Книги Журналы Справочники и Сборники статей Коллекции
International Journal for Multiscale Computational Engineering
Импакт фактор: 1.016 5-летний Импакт фактор: 1.194 SJR: 0.554 SNIP: 0.82 CiteScore™: 2

ISSN Печать: 1543-1649
ISSN Онлайн: 1940-4352

Выпуски:
Том 18, 2020 Том 17, 2019 Том 16, 2018 Том 15, 2017 Том 14, 2016 Том 13, 2015 Том 12, 2014 Том 11, 2013 Том 10, 2012 Том 9, 2011 Том 8, 2010 Том 7, 2009 Том 6, 2008 Том 5, 2007 Том 4, 2006 Том 3, 2005 Том 2, 2004 Том 1, 2003

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.2015013568
pages 413-442

A CONTINUUM MECHANICAL SURROGATE MODEL FOR ATOMIC BEAM STRUCTURES

Marcus G. Schmidt
AICES Graduate School, RWTH Aachen University, Aachen, Germany
Ahmed E. Ismail
AICES Graduate School, RWTH Aachen University, Aachen, Germany; Aachener Verfahrenstechnik: Molecular Simulations and Transformations, Faculty of Mechanical Engineering, RWTH Aachen University, Aachen, Germany
Roger A. Sauer
AICES Graduate School, RWTH Aachen University, Aachen, Germany

Краткое описание

Starting from a fully atomistic system, we outline a general approach to obtain an approximate continuum surrogate model incorporating specific kinematic state variables. The continuum mechanical system is furnished with a hyperelastic material model. We then adapt the procedure to slender structures with beam-like character, such as silicon nanowires or carbon nanotubes. The surrogate model can be described as a geometrically exact beam, which can be treated numerically using finite elements. Based on molecular dynamics simulations, we show how to obtain for a given atomistic beam system both a set of suitable deformed states as well as generalized stress and strain measures. Finally, we benchmark the obtained continuum model by assessing its accuracy for a beam coming into contact with an infinite Lennard-Jones wall.


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