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Molecular dynamics simulation of peeling a DNA molecule on substrate 被引量:3

Molecular dynamics simulation of peeling a DNA molecule on substrate
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摘要 Molecular dynamics (MD) simulations are performed to study adhesion and peeling of a short fragment of single strand DNA (ssDNA) molecule from a graphite surface. The critical peel-off force is found to depend on both the peeling angle and the elasticity of ssDNA. For the short ssDNA strand under investigation, we show that the simulation results can be explained by a continuum model of an adhesive elastic band on substrate. The analysis suggests that it is often the peak value, rather than the mean value, of adhesion energy which determines the peeling of a nanoscale material. Molecular dynamics (MD) simulations are performed to study adhesion and peeling of a short fragment of single strand DNA (ssDNA) molecule from a graphite surface. The critical peel-off force is found to depend on both the peeling angle and the elasticity of ssDNA. For the short ssDNA strand under investigation, we show that the simulation results can be explained by a continuum model of an adhesive elastic band on substrate. The analysis suggests that it is often the peak value, rather than the mean value, of adhesion energy which determines the peeling of a nanoscale material.
出处 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2005年第3期249-256,共8页 力学学报(英文版)
基金 The project supported by the Distinguished Young Scholar Fund of NSFC(10225209) key project from the Chinese Academy of Sciences(KJCX2-SW-L2)
关键词 Molecular dynamics simulation DNA ADHESION PEELING Molecular dynamics simulation DNA Adhesion Peeling
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