Accession Number:

AD1023810

Title:

Hierarchical Theoretical Methods for Understanding and Predicting Anisotropic Thermal Transport Release in Rocket Propellant Formulations

Descriptive Note:

Technical Report,15 Jun 2014,14 Jun 2016

Corporate Author:

MISSOURI UNIV-COLUMBIA COLUMBIA United States

Personal Author(s):

• Sewell,Thomas D.
• Thompson,Donald L.
• Stewart,D. S.
• Matalon,Moshe
• Ortiz,Michael

Report Date:

2016-12-08

Pagination or Media Count:

56.0

Abstract:

We summarize a two-year effort to achieve theoretical understanding and predictive capability regarding anisotropic thermal transport and energy release in advanced rocket propellants. The ultimate goal is a practical capability for the a priori design of advanced propellant materials in which structure optimization is used to yield desired energy transport and burn characteristics. Our vision is to exploit anisotropy at three levels 1 Intrinsic anisotropy at the molecular up to the continuum microscale for pure constituents 2 Manufactured nano- and microscale anisotropy via manufacture specifications of the composition 3 Mesoscale anisotropy persistence during physico-chemical structural decomposition, mixing, and reactive processes, templated by item 2. The overall goal was to combine information from atomic simulations, continuum mesoscopic models of interfaces and interphases, and microstructure-resolved representative volume element simulations. Atomic simulations were carried out for energetic materials to predict thermomechanical and transport properties, phase diagrams, and interfacial structure. Mesoscopic models were developed that directly employ.

Descriptors:

• Rocket propellants
• ANISOTROPY
• Physicochemical properties
• MOLECULAR DYNAMICs simulations
• physical chemistry
• energy transfer

Subject Categories:

• Solid Rocket Propellants
• Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE