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THEORETICAL CHEMISTRY STUDIES OF CONDUCTING POLYMER SYSTEMS

Award Information

Agency:
Department of Defense
Branch:
Air Force
Award ID:
12218
Program Year/Program:
1991 / SBIR
Agency Tracking Number:
12218
Solicitation Year:
N/A
Solicitation Topic Code:
N/A
Solicitation Number:
N/A
Small Business Information
ANALATOM, INC.
562 E. Weddell Drive, Suite 4 Sunnyvale, CA -
View profile »
Woman-Owned: No
Minority-Owned: No
HUBZone-Owned: No
 
Phase 2
Fiscal Year: 1991
Title: THEORETICAL CHEMISTRY STUDIES OF CONDUCTING POLYMER SYSTEMS
Agency / Branch: DOD / USAF
Contract: N/A
Award Amount: $407,617.00
 

Abstract:

THEORETICAL CHEMISTRY TECHNIQUES ARE USED TO PROVIDE FUNDAMENTAL UNDERSTANDING OF THE MOLECULAR REQUIREMENTS FOR ACHIEVING CONDUCTIVE PROPERTIES IN POLYMER SYSTEMS AND IN A LATER STAGE TO ADDRESS THE REQUIREMENTS FOR ACHIEVING NONLINEAR OPTICAL PROPERTIES. IT IS PROPOSED TO DEDUCE THE CONDUCTION MECHANISM BY CALCULATING THE CONDUCTIVITY TENSOR DIRECTLY AND ANALYZING THE DIFFERENT CONTRIBUTIONS TO THIS QUANTITY. NOVEL APPROACHES TO THE CALCULATION OF THE NECESSARY PROPAGATORS MAKE POSSIBLE A DIRECT CONSIDERATION OF THE CONDUCTIVITY TENSOR. THE KEY DIFFERENCE WITH PREVIOUS TREATMENTS IS THAT WE CONSIDER THE FULL ELECTRON-NUCLEAR DYNAMICS WITHOUT AD HOC USE OF BORON-OPPENHEIMER APPROXIMATION. INITIALLY, DURING PHASE I, A WORK CODE WILL BE DEVELOPED FOR THE CALCULATION OF THE ELECTRIC CONDUCTIVITY TENSOR USING A SINGLE DETERMINENTAL STATE FOR THE ELECTRONS AND CLASSICAL NUCLEI. ALSO DURING PHASE I AS A VALIDATION OF THE CODE WE WILL INVESTIGATE THE SOLUTION MECHANISM IN POLACETYLENE FROM THE AB INITIO TIME-DEPENDENT VIEWPOINT AND STUDY THE EVOLUTION OF THE SOLITON EXCITATION TO VERIFY WHETHER IT RETAINS ITS SOLITAN SHAPE. THE CODE WILL BE WRITTEN SUCH THAT DURING LATER PHASES OF THIS WORK IT CAN BE USED FOR GENERAL POLYMERIC SYSTEMS.

Principal Investigator:

Dr B Laskowski
4087349392

Business Contact:

Small Business Information at Submission:

Analatom Inc.
1183 Bordeaux Dr - #1 Sunnyvale, CA 94089

EIN/Tax ID:
DUNS: N/A
Number of Employees:
Woman-Owned: No
Minority-Owned: No
HUBZone-Owned: No