IN AN ENERGETIC MATERIAL

Award Information
Agency:
Department of Defense
Branch
Army
Amount:
$37,831.00
Award Year:
1986
Program:
SBIR
Phase:
Phase I
Contract:
n/a
Award Id:
4036
Agency Tracking Number:
4036
Solicitation Year:
n/a
Solicitation Topic Code:
n/a
Solicitation Number:
n/a
Small Business Information
406 Alta Ave, Santa Monica, CA, 90402
Hubzone Owned:
N
Minority Owned:
N
Woman Owned:
N
Duns:
n/a
Principal Investigator:
DONALD H TSAI
(301) 762-8955
Business Contact:
() -
Research Institute:
n/a
Abstract
WE PROPOSE A DETAILED STUDY OF THE DYNAMICS OF A DETONATION WAVE IN A MODEL OF A DENSE ENERGETIC MATERIAL BY THE METHOD OF MOLECULAR DYNAMICS. OUR PURPOSE IS TO INVESTIGATE THE ROLE OF "HOT SPOTS" IN THE INITIATION OF CHEMICAL REACTIONS AND THE ACCOMPANYING ENERGY TRANSPORT AND ENERGY SHARING PROCESSES IN THE DETONATION WAVE ON A MOLECULAR SCALE. THESE PROBLEMS ARE IMPORTANT TO OUR BASIC UNDERSTANDING OF THE PARAMETERS CONTROLLING THE RATE OF CHEMICAL ENERGY RELEASE AND CONVERSION AND HENCE OF THE EFFECTIVE USE AND SAFE HANDLING OF CHEMICAL EXPLOSIVES. IN PHASE I OF THIS PROPOSAL, OUR OBJECTIVES ARE (1) TO INVESTIGATE THE FEASIBILITY OF USING A MODERN MICROCOMPUTER (E.G., IBM-AT + DSI-32 COPROCESSOR BOARD) FOR DOING LARGE SCALE MOLECULAR DYNAMICS CALCULATIONS AND (2) TO STUDY THE INITIATION OF DETONATION IN A TWO-DIMENSIONAL ENERGETIC CRYSTAL CONTAINING VACANCIES AND MASS DEFECTS AS A SAMPLE OF COMPUTER SIMULATION OF THE DETONATION PROBLEM FROM A MICROSCOPIC VIEWPOINT. SUCCESS IN THESE OBJECTIVES WILL ENABLE US TO PROGRESS TO OTHER PROBLEMS, INCLUDING A SYSTEMATIC COMPARISON OF MOLECULAR DYNAMIC RESULTS WITH HYDRODYNAMIC RESULTS, A MORE REALISTIC CHEMICAL MODEL OF AN ENERGETIC CRYSTAL, AND IN INVESTIGATION OF ENERGY TRANSPORT AND ENERGY RELAXATION IN DENSE MOLECULAR SYSTEMS.

* information listed above is at the time of submission.

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