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Multiscale modelling of human hair.

Reinier L C Akkermans1, Patrick B Warren

  • 1Unilever Research and Development, Port Sunlight, Quarry Road East, Bebington CH63 3JW, UK. reinier.akkermans@unilever.com

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|August 13, 2004
PubMed
Summary

This study models human hair mechanics using multiscale simulations. It reveals how protein unfolding affects hair

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Area of Science:

  • Multiscale modeling
  • Materials science
  • Biophysics

Background:

  • Human hair fibers exhibit complex mechanical properties.
  • Understanding these properties is crucial for applications in cosmetics and materials.

Purpose of the Study:

  • To develop a multiscale modeling approach for human hair fiber mechanics.
  • To investigate the relationship between protein unfolding, temperature, and hair yield stress.
  • To simulate the mechanical behavior of hair macrofibrils.

Main Methods:

  • Molecular dynamics simulations of protein unfolding.
  • Statistical mechanical modeling based on folded/unfolded states.
  • Particle-based mesoscale simulations of hair macrofibrils.
  • Experimental validation through tensile testing of hair fibers at elevated temperatures.

Main Results:

  • Unfolding force of coiled coil proteins is approximately 1 nN.
  • A statistical mechanical model predicts a linear decrease in yield stress with increasing temperature.
  • Experimental results confirm the model's prediction of temperature-dependent yield stress.
  • Simulations of macrofibrils show thermal properties consistent with the two-state model.

Conclusions:

  • The multiscale modeling approach accurately captures human hair mechanics.
  • Temperature significantly influences hair fiber yield stress due to protein unfolding.
  • The study provides insights into the composite structure and mechanical behavior of hair at different scales.

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