Molecular Tinkertoy Construction Kit: Computer Simulations of Molecular Propellers and Paddle Wheels

Abstract

We calculated the friction coefficients and their dependence on rotation frequency in carborane rotors and propellers. A paper on this is almost ready for submission. A copy of the draft is attached. Our results indicate that molecular rotors can be used to control friction of surfaces to some extend. Further investigation is needed. A new phenomelogical model of molecular propeller action was designed. Its performance is currently being tested also for porphyrin types of rotors. We designed a new generation of our light-absorption driven molecular motor.

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Document Details

Document Type
Technical Report
Publication Date
Oct 31, 2006
Accession Number
ADA458453

Entities

People

  • Jaroslav Vacek

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption
  • Angular Momentum
  • Chemistry
  • Computer Programs
  • Computer Simulations
  • Computers
  • Construction
  • Demographic Cohorts
  • Energy
  • Flow
  • Friction
  • Gas Flow
  • Molecular Dynamics
  • Physical Chemistry
  • Propellers
  • Simulations
  • Thermal Conductivity

Fields of Study

  • Physics

Readers

  • Aerodynamics.
  • Computer Science.
  • Quantum Chemistry