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International Journal for Multiscale Computational Engineering

Publication de 6  numéros par an

ISSN Imprimer: 1543-1649

ISSN En ligne: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

Indexed in

A CONTINUUM MECHANICAL SURROGATE MODEL FOR ATOMIC BEAM STRUCTURES

Volume 13, Numéro 5, 2015, pp. 413-442
DOI: 10.1615/IntJMultCompEng.2015013568
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RÉSUMÉ

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.

CITÉ PAR
  1. Barnes Brian C, Leiter Kenneth W, Becker Richard, Knap Jaroslaw, Brennan John K, LAMMPS integrated materials engine (LIME) for efficient automation of particle-based simulations: application to equation of state generation, Modelling and Simulation in Materials Science and Engineering, 25, 5, 2017. Crossref

  2. Ghaffari Reza, Sauer Roger A., A new efficient hyperelastic finite element model for graphene and its application to carbon nanotubes and nanocones, Finite Elements in Analysis and Design, 146, 2018. Crossref

  3. Barnes Brian C., Brennan John K., Byrd Edward F. C., Izvekov Sergei, Larentzos James P., Rice Betsy M., Toward a Predictive Hierarchical Multiscale Modeling Approach for Energetic Materials, in Computational Approaches for Chemistry Under Extreme Conditions, 28, 2019. Crossref

  4. Schulz Matthias, Dittmann Johannes, Böl Markus, Modeling the mechanical behavior of semi-flexible polymer chains using a surrogate model based on a finite-element approach to Brownian polymer dynamics, Journal of the Mechanics and Physics of Solids, 130, 2019. Crossref

  5. Grill Maximilian J., Wall Wolfgang A., Meier Christoph, A computational model for molecular interactions between curved slender fibers undergoing large 3D deformations with a focus on electrostatic, van der Waals, and repulsive steric forces, International Journal for Numerical Methods in Engineering, 121, 10, 2020. Crossref

  6. Badu Shyam, Prabhakar Sanjay, Melnik Roderick, Singh Sundeep, Atomistic to continuum model for studying mechanical properties of RNA nanotubes, Computer Methods in Biomechanics and Biomedical Engineering, 23, 8, 2020. Crossref

  7. Pal Anirban, Fast and accurate computation of interactions between linear fiber segments, Engineering Computations, 38, 7, 2021. Crossref

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