Demand-based coupling of the scales in concurrent atomistic-to-continuum models at finite temperature

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Abstract

Concurrent atomistic-to-continuum multiscale models commonly couple the coarse and fine scale in a fixed time interval fashion. This coupling is generally not the most efficient, as the coarse scale solution is also computed in times when its boundary conditions do not change significantly. Using a prototypical representative of these models, namely the coupled atomistic and discrete dislocation (CADD) method, we show that substantial computational savings are possible by using a demand-based coupling of the scales instead. To this end, we present an algorithm that uses digital low-pass filtering and demonstrate its capability in three numerical examples.
Original languageEnglish
Pages (from-to)103849
JournalJournal of the mechanics and physics of solids
Volume137
DOIs
Publication statusPublished - Apr 2020

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continuums
multiscale models
Boundary conditions
Temperature
temperature
boundary conditions
intervals

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title = "Demand-based coupling of the scales in concurrent atomistic-to-continuum models at finite temperature",
abstract = "Concurrent atomistic-to-continuum multiscale models commonly couple the coarse and fine scale in a fixed time interval fashion. This coupling is generally not the most efficient, as the coarse scale solution is also computed in times when its boundary conditions do not change significantly. Using a prototypical representative of these models, namely the coupled atomistic and discrete dislocation (CADD) method, we show that substantial computational savings are possible by using a demand-based coupling of the scales instead. To this end, we present an algorithm that uses digital low-pass filtering and demonstrate its capability in three numerical examples.",
author = "Patrick Wurm and Ulz, {Manfred Hannes}",
year = "2020",
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language = "English",
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AU - Wurm, Patrick

AU - Ulz, Manfred Hannes

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N2 - Concurrent atomistic-to-continuum multiscale models commonly couple the coarse and fine scale in a fixed time interval fashion. This coupling is generally not the most efficient, as the coarse scale solution is also computed in times when its boundary conditions do not change significantly. Using a prototypical representative of these models, namely the coupled atomistic and discrete dislocation (CADD) method, we show that substantial computational savings are possible by using a demand-based coupling of the scales instead. To this end, we present an algorithm that uses digital low-pass filtering and demonstrate its capability in three numerical examples.

AB - Concurrent atomistic-to-continuum multiscale models commonly couple the coarse and fine scale in a fixed time interval fashion. This coupling is generally not the most efficient, as the coarse scale solution is also computed in times when its boundary conditions do not change significantly. Using a prototypical representative of these models, namely the coupled atomistic and discrete dislocation (CADD) method, we show that substantial computational savings are possible by using a demand-based coupling of the scales instead. To this end, we present an algorithm that uses digital low-pass filtering and demonstrate its capability in three numerical examples.

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DO - 10.1016/j.jmps.2019.103849

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SP - 103849

JO - Journal of the mechanics and physics of solids

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