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Molecular Modeling Driven Design of High Density Energetic Materials

Award Information
Agency: Department of Defense
Branch: Navy
Contract: N00014-14-C-0045
Agency Tracking Number: N12A-023-0002
Amount: $485,798.00
Phase: Phase II
Program: STTR
Solicitation Topic Code: N12A-T023
Solicitation Number: 2012.A
Timeline
Solicitation Year: 2012
Award Year: 2014
Award Start Date (Proposal Award Date): 2014-03-10
Award End Date (Contract End Date): 2015-09-10
Small Business Information
AL
Huntsville, AL 35805-1926
United States
DUNS: 185169620
HUBZone Owned: No
Woman Owned: Yes
Socially and Economically Disadvantaged: No
Principal Investigator
 Debasis Sengupta
 Manager
 (256) 726-4800
 proposal-contracts@cfdrc.com
Business Contact
 Deborah Phipps
Title: Manager Contracts
Phone: (256) 726-4884
Email: dap@cfdrc.com
Research Institution
 University of Idaho
 Polly Knutson
 
PO Box 443020
Moscow, ID 83844-
United States

 (208) 885-6651
 Nonprofit college or university
Abstract

Development of next generation energetic materials has been slow primarily due to a lack of fundamental understanding of the physics and chemistry of these materials. The strategy for development historically has been a trial-and-error experimental approach which possesses considerable risk of failure. With the advent of high speed computers and sophisticated molecular modeling techniques, it is now possible to predict properties of energetic materials prior to experiments. Therefore, a coordinated effort between molecular modelers and synthetic organic chemists is the key to fast development of energetic materials to meet today"s military combat requirements. In Phase I, CFDRC, in collaboration with synthetic organic chemist of University of Idaho, have conceptualized a number of energetic compounds, evaluated them with a range of molecular modeling methods for down selection, and attempted to synthesize two candidates. Phase II will continue the protocols followed in Phase I and expand its scope. A number of compounds of a certain class will be further evaluated, down-selected, synthesized and characterized. A plan for scale up of the most promising compound, its detonation testing and transition to Navy"s programs is also included. Development of next generation energetic materials has been slow primarily due to a lack of fundamental understanding of the physics and chemistry of these materials. The strategy for development historically has been a trial-and-error experimental approach which possesses considerable risk of failure. With the advent of high speed computers and sophisticated molecular modeling techniques, it is now possible to predict properties of energetic materials prior to experiments. Therefore, a coordinated effort between molecular modelers and synthetic organic chemists is the key to fast development of energetic materials to meet today"s military combat requirements. In Phase I, CFDRC, in collaboration with synthetic organic chemist of University of Idaho, have conceptualized a number of energetic compounds, evaluated them with a range of molecular modeling methods for down selection, and attempted to synthesize two candidates. Phase II will continue the protocols followed in Phase I and expand its scope. A number of compounds of a certain class will be further evaluated, down-selected, synthesized and characterized. A plan for scale up of the most promising compound, its detonation testing and transition to Navy"s programs is also included.

* Information listed above is at the time of submission. *

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