Energetic Materials Optimization via Constrained Search

Abstract

The design and optimization of energetic materials is a highly complex problem subject to several constraints. For performant propellants, the target of maximization is the Chapman-Jouguet (CJ) pressure. Yet, the material has to remain synthetically viable and retain the detonation characteristics that make it an explosive, such as the shock velocity and the total detonation energy. We apply a primal-dual interior-point algorithm of first order on a hypertorus with multiple Lagrange multipliers. The energetic characteristics are computed using density functional theory for input into heuristic programs. The method is highly efficient and produces viable candidates. We compare the results to a maximization of total detonation energy under synthetic viability constraint

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2015
Accession Number
ADA618010

Entities

People

  • Berend C. Rinderspacher

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Algorithms
  • Buildings And Structures
  • Chemical Compounds
  • Chemistry
  • Computational Chemistry
  • Density Functional Theory
  • Detonations
  • Energetic Materials
  • Explosives
  • Materials
  • Military Research
  • Molecules
  • Optimization
  • Propellants
  • Viability

Fields of Study

  • Physics

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Image Processing and Computer Vision.
  • Operations Research