Understanding unusual thermal transport behavior in soft materials under mechanical strain – A molecular dynamics study

Murad, Sohail; Puri, Ishwar K.

doi:10.1016/j.cplett.2015.03.019

Cited by 5 publications

(3 citation statements)

References 16 publications

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“…A previous study has shown that the structure and dynamics of PDMS at a temperature of 500K relaxed to 300 K is in the form of melt although bulk PDMS is solid at a temperature of 300 K . The study shows the tremendous effects of heat on a polymer at the nanoscale. − Combining a small strain rate and thermal effect, the result obtained in this study shows that the PDMS nanostructure show noticeably ductile material behavior.…”

Section: Resultsmentioning

confidence: 52%

“…For bulk PDMS, the normal stress–strain curve exhibits a general elastomer pattern. , However, for this study, the stress–strain curve obtained exhibits a flexible plastic pattern with significant yielding. This kind of behavior occurs in nanostructures under tension due to the thermal effect as mentioned earlier. ,,,, The extension of PDMS nanopillars started with elastic deformation from its initial state to the first yielding represented by the dot-dashed line in the graph. The results show that for all force fields, the 12-monomer series has slightly higher stress for any strain than the eight-monomer series.…”

Section: Resultsmentioning

confidence: 77%

“…This kind of behavior occurs in nanostructures under tension due to the thermal effect as mentioned earlier. 12,13,17,18,33 The extension of PDMS nanopillars started with elastic deformation from its initial state to the first yielding represented by the dot-dashed line in the graph. The results show that for all force fields, the 12-monomer series has slightly higher stress for any strain than the eight-monomer series.…”

Section: Resultsmentioning

confidence: 99%

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Molecular Dynamics Study of Poly(dimethylsiloxane) Nanostructure Distortion in a Soft Lithography Demolding Process

2019

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This study aims at investigating the distortion of poly(dimethylsiloxane) (PDMS) nanostructures in a soft lithography demolding process using molecular dynamics simulation. Experimental results show that after peeling, PDMS nanopillars became 10–60% longer in height than the mold size. Molecular dynamics simulations have been employed to plot the stress–strain curve of the nanopillars when subjected to uniaxial stress. Three force fields (COMPASS, CVFF, and PCFF) were used for modeling. The demolding process in soft lithography and nanoimprint lithography causes significant deformation in replication. The experimental results show clear signs of elongation after demolding. Molecular dynamics simulations are employed to study the stress–strain relationship of the PDMS nanopillars. The results from the simulation show that a PDMS nanopillar at temperature T = 300 K under tensile stress shows characteristics of flexible plastic under tensile stress and has a lower Young’s modulus, ultimate tensile stress, and Poisson’s ratio.

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