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

reportActive / Technical Report | Accession Number: ADA458453 | Open PDF

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.

Author(s):
Vacek, Jaroslav
Author Organization(s):
CZECHOSLOVAK ACADEMY OF SCIENCES PRAGUE J HEYROVSKY INST OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY
Descriptive Note:
Interim rept. no. 4, Jun-Oct 2006
Supplementary Note:
The original document contains color images. Pub. in Proceedings of the HPCMP Users Group Conference on High Performance Computing Modernization Program, IEEE, 2006.
Pagination:
0005

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release
Distribution Statement:
Approved For Public Release; Distribution Is Unlimited.

RECORD

Collection: TR
Identifying Numbers
Contract/Grant Number(s):
N62558-03-M-0806, W90C2K9479-CH-01S
Monitor Series:
XD
 Subject Terms
Joint Capability Areas:
JCA_3.2_Engagement; JCA_3_Force Application; JCA_8_Building Partnerships; JCA_6_Net Centric; JCA_8.2_Shape
Modernization Areas:
Quantum Science and Computing
Communities of Interest:
Energy and Power Technologies
Descriptor(s):
*COMPUTERIZED SIMULATION, *DYNAMICS, *ROTORS, *MOLECULES, *PORPHYRINS, *PROPELLERS, COMPUTER PROGRAMS, FRICTION, CARBORANES, CONTROL SURFACES, CZECH REPUBLIC, ROTATION, COEFFICIENTS, WHEELS, ABSORPTION
Field(s)/Group(s):
Biochemistry, Computer Programming and Software, Hydraulic and Pneumatic Equipment
Keyword(s):
*MOLECULAR PROPELLERS, *PADDLE WHEELS, FOREIGN REPORTS, COMPUTER DYNAMICS, MOLECULAR FRICTION, MOLECULAR ROTORS, CARBORANE ROTORS, *MOLECULAR DYNAMICS
Report Date:
2006 Oct 31
Creation Date:
2006 Dec 20