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2006

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“…Choosing t m of the 1-2% larger than generally leads to satisfactory energy conservation [22]. In our numerical investigation, the ratio between the time steps of the coarse-scale equation of motion and the molecular dynamics simulation is r = t c / t m = 3.…”

confidence: 92%

“…Choosing t m of the 1-2% larger than generally leads to satisfactory energy conservation [22]. In our numerical investigation, the ratio between the time steps of the coarse-scale equation of motion and the molecular dynamics simulation is r = t c / t m = 3.…”

confidence: 92%

“…The choice of the time step t m for the molecular dynamics simulation is dictated by the natural fine-scale time scale [22] …”

confidence: 99%