Tools for Modeling & Simulation of Molecular and Nanomaterials for Optically Responsive Devices

Award Information
Agency:
Department of Defense
Branch
Air Force
Amount:
$99,969.00
Award Year:
2010
Program:
STTR
Phase:
Phase I
Contract:
FA9550-10-C-0145
Award Id:
95007
Agency Tracking Number:
F09B-T30-0088
Solicitation Year:
n/a
Solicitation Topic Code:
AF 09TT30
Solicitation Number:
n/a
Small Business Information
4401 Dayton-Xenia Road, Dayton, OH, 45432
Hubzone Owned:
N
Minority Owned:
N
Woman Owned:
N
Duns:
074689217
Principal Investigator:
Kiet Nguyen
Research Scientist
(937) 426-6900
sbir@ues.com
Business Contact:
Bryce Skinn
Business Relations Manager
(937) 426-6900
bskinn@ues.com
Research Institute:
Iowa State University
Tammy Polaski
Sponsored Programs Admin.
1138 Pearson Hall
Ames, IA, 50011
(515) 294-5225
Nonprofit college or university
Abstract
Military applications for CBRNE/GWTO and C4ISR require R&D for materials to protect personnel and equipment. However, challenges remain in experimental synthesis and characterization of new materials, such as providing insight into observed properties for further advancement. Thus, it is essential to develop a predictive modeling and simulation approach that will not only provide a fundamental understanding, but also allow the a priori prediction properties of materials. Our propose phase I work is to develop, implement, and validate response methods for polarizability and hyperpolarizability in user friendly software that supports the task of developing new materials. Software implementation will be integrated in the GAMESS-US program that can effectively utilize massively parallel computers. This enables predictions of properties for materials to be carried out in an efficient manner. BENEFIT: Upon successful completion, software required for the designs of new NLO materials for will be available for distribution/commercialization. Industrial applications of the new software include 3D optical storage memory, confocal microscopy, second harmomic generation, and photodynamic therapy as cancer treatment.

* information listed above is at the time of submission.

Agency Micro-sites


SBA logo

Department of Agriculture logo

Department of Commerce logo

Department of Defense logo

Department of Education logo

Department of Energy logo

Department of Health and Human Services logo

Department of Homeland Security logo

Department of Transportation logo

Enviromental Protection Agency logo

National Aeronautics and Space Administration logo

National Science Foundation logo
US Flag An Official Website of the United States Government