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Figure 1 | Nanoscale Research Letters

Figure 1

From: New Bending Algorithm for Field-Driven Molecular Dynamics

Figure 1

Tension/compression by using coordinate transformation. The coordinate (x,y,z) is transformed to (x′,y′,z′) with scale 1/a along z′-direction. Thus the length L becomes aL in the (x′,y′,z′) scale. The (x′,y′,z′) can then be taken as the coordinate at next time step to perform the tension/compression dynamic simulation

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