2015
DOI: 10.1039/c5cp04621a
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Effects of the amino acid sequence on thermal conduction through β-sheet crystals of natural silk protein

Abstract: Recent experiments have discovered very different thermal conductivities between the spider silk and the silkworm silk. Decoding the molecular mechanisms underpinning the distinct thermal properties may guide the rational design of synthetic silk materials and other biomaterials for multifunctionality and tunable properties. However, such an understanding is lacking, mainly due to the complex structure and phonon physics associated with the silk materials. Here, using non-equilibrium molecular dynamics, we dem… Show more

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Cited by 19 publications
(9 citation statements)
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“…First, PVA chains are more extended due to intra-PVA hydrogen bonds and steric repulsion between neighboring PVA chains, which is a positive factor for along-chain thermal transport. Second, with a mechanism similar to that previously shown by us for protein β-sheets and polymer nanofibers, [59][60][61] intra-PVA hydrogen bonds can enhance thermal transport across the densely packed PVA layer. Third, the hydrogen bonds formed between PVA and PMMA facilitate thermal transport across the relatively planar interface.…”
Section: Pvasupporting
confidence: 53%
See 1 more Smart Citation
“…First, PVA chains are more extended due to intra-PVA hydrogen bonds and steric repulsion between neighboring PVA chains, which is a positive factor for along-chain thermal transport. Second, with a mechanism similar to that previously shown by us for protein β-sheets and polymer nanofibers, [59][60][61] intra-PVA hydrogen bonds can enhance thermal transport across the densely packed PVA layer. Third, the hydrogen bonds formed between PVA and PMMA facilitate thermal transport across the relatively planar interface.…”
Section: Pvasupporting
confidence: 53%
“…S9). Due to the importance of hydrogen bonds in nanoscale thermal transport, [57][58][59][60][61] the vast…”
Section: Effect Of Grafting Density On Interfacial Molecular Morpholomentioning
confidence: 99%
“…A polarisation dependence of the IR absorbance of amides in silk fiber can provide deeper insights in molecular orientation of hierarchial silk structure; it is known to define thermal conductivity, κ , which is increasing in the stretched form 25 ( E is the Young’s modulus) and is increasing under strain towards the onset of melting at around 200 °C 26 . In the presence of hydrogen bonding, the orientation is linked to an increased crystallinity 27 , 28 . Nanoscale orientation of proteins and their 3D conformation are at the core of their optical, mechanical, thermal, and bio-functions.…”
Section: Introductionmentioning
confidence: 99%
“…Second, recent advances in surface treatment have made it relatively simple to anchor hydrogen‐bond‐capable chemical groups to the graphene surfaces to enable hydrogen bonds with many polymers. Third, hydrogen‐bond‐facilitated thermal conduction has been recently demonstrated in several other material systems including crystalline polymer nanofibers, amorphous polymer blends, along with silk β‐sheets and α‐helices . However, the use of hydrogen bonds to improve the interfacial thermal transport at graphene/polymer interfaces has not yet been reported.…”
Section: Introductionmentioning
confidence: 99%