NANO ENGINEERED ENERGETIC MATERIALS MURI Overview

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1 ARO Review of Nanoenergetic Materials Initiatives MURI / DURINT Review November 2005 Holiday Inn Aberdeen, Aberdeen, MD NANO ENGINEERED ENERGETIC MATERIALS MURI Overview Synthesis & Assembly PSU UIUC nano - macro Theoretical Modeling & Simulation USC PSU macro - nano NEEM nano - macro Experimental Characterization & Diagnostics UIUC PSU

2 Issues and Motivation Current status: The full extent of the anticipated gains from nanoscale energetic materials has not been realized in large part due to the lack of fundamental understanding. Potential benefits of nano energetic materials: More powerful. Controlled rate of energy release. Managed mass and gas generation release rates. More reliable. Higher density. More reproducible. Reduced sensitivity. Reduced vulnerability. Safer to handle. Multi-functionality.

3 Objectives Develop new methodologies to assemble nanoenergetic materials that provide concurrent increases in performance and managed energy release rate while reducing sensitivity. Obtain fundamental understanding of the relationship between the design of nanoengineered energetic materials and their reactive and mechanical behaviors

4 Critical Technology Issues Self-assembly and supramolecular chemistry of the fuel and oxidizer elements of energetic materials have lagged far behind chemistries in other disciplines (such as pharmaceuticals, microelectronics, microbiology). There is no fundamental understanding of what type of supramolecular structures provide desirable performance in combustion, mechanical, and hazard characteristics.

5 An Integrated, Systematic Approach conventionally assembled energetic material with micron-to-millimeter scale energetic structures self-assembled micron-to-millimeter scale energetic structure micron-crystalline oxidizer polymer binder nano-energetic materials nano Al & B o RDX, HMX, & ADN carbon nanotubes nano-metallic particle self-assembled energetic material with gradient in chemical composition nano-crystalline oxidizer

6 Program Philosophy Bring together scientists and engineers in nanotechnology and propellants and explosives Couple multiscale modeling and multiscale diagnostics Research and develop new concepts for assembling and understanding the dynamics of nano engineered energetic materials

7 Program Structure and Interactions Synthesis & Assembly PSU UIUC nano - macro Theoretical Modeling & Simulation USC PSU macro - nano NEEM Experimental Characterization & Diagnostics nano - macro UIUC PSU

8 Participating MURI Team Members David Allara, PSU, Department of Chemistry Ralph Nuzzo, UIUC, School of Chemical Sciences Dana Dlott, UIUC, School of Chemical Sciences Greg Girolami, UIUC, School of Chemical Sciences Priya Vashishta, USC, Departments of Chemical Engineering and Material Sciences, Physics and Astronomy, and Computer Science Rajiv Kalia, USC, Departments of Chemical Engineering and Material Sciences, Physics and Astronomy, and Computer Science Aiichiro Nakano, USC, Departments of Chemical Engineering and Material Sciences, Physics and Astronomy, and Computer Science Vigor Yang, PSU, Department of Mechanical and Nuclear Engineering Richard Yetter, PSU, Department of Mechanical and Nuclear Engineering Kenneth Kuo, PSU, Department of Mechanical and Nuclear Engineering Steven Son, LANL, Sabbatical Leave at PSU

9 Emphasis on Education Kristen Clark (PSU, Graduate student) Brian Wehrman (PSU, Graduate student) Yoni Malchi (PSU, Graduate student) Puneesh Puri (PSU, Graduate student) Tao Liu (PSU, Graduate student) Richard Clark (USC, Graduate student) Richard Seymour (USC, Graduate student) Selezion Hambir (UIUC, Post-doc) Hyunung Yu (UIUC, Post-doc) Joo Kang (UIUC, Post-doc) Andrew Seely (UIUC, Post-doc) Orlando Cabarcos (PSU, Post-doc) Feng-Yuan Zhang (PSU, Post-doc)

10 Continued Commitment to Education Student and Post doc participation at technical meetings PSU, UIUC, and USC students presenting papers at technical meetings. Summer interns at DoD and DoE laboratories PSU graduate student to conduct research at LANL during summer 2006 USC students visit ARL during summers of 2005 and Graduate Course Combustion of Energetic Materials taught by Dr. Steve Son at PSU during the Fall 05 Graduate student and post-doc exchange between PSU, UIUC, and USC planned for a week duration during the summer of 2006 in PSU laboratories to further develop fundamental research and training in multidisciplinary fields of study including energetic materials, nanotechnology, spectroscopy, theoretical chemistry, combustion. Graduate student and post-doc conference around DoD laboratory to enhance student participation and understanding of important DoD relevant research.

11 Review Meeting Presentations 0825 Rich Yetter, PSU, Overview of the NEEM MURI 0845 Dana Dlott, UIUC, "Ultrafast Dynamic Measurements of Nanoenergetic Materials" 0915 Priya Vashishta, USC, Multimillion Atom Simulations of Reactive and Mechanical Behavior of Nano-Engineered Energetic Materials - Part-I 0945 Greg Girolami, UIUC, "Chemical Synthesis of SAM-Stabilized Aluminum Nanoparticles 1015 Break 1030 Dave Allara, PSU, Development of an Approach for Direct Characterization of Al Metal / Nitro Molecule Interface Reaction Chemistry 1100 Rajiv Kalia, USC, Multimillion Atom Simulations of Reactive and Mechanical Behavior of Nano-Engineered Energetic Materials - Part-II 1130 Ken Kuo, PSU, "Development of Ultra High-Pressure Super Critical Fluid Processing of Nano-sized Energetic Oxidizers" 1200 Lunch 1300 Rich Yetter, PSU, Combustion Analysis of Nano Energetic Materials 1330 Vigor Yang, PSU, Modeling and Simulation of Supercritical Fluid Processing of Nanosized Nitramine Propellants and Ignition and Combustion of Nano-sized Aluminum Particles 1400 Rich Yetter, PSU, Summary of the NEEM MURI 1415 Steve Son, LANL, An Overview of Nano Energetics Research at LANL

12 Research Questions (1/3) In nanoenergetic materials, how do chemical reactions occur at the interface between a metallic particle and the surrounding oxidizer? How do these reactions propagate from particle to particle, and how do these properties depend on the chemical composition and hierarchical organization of the material? How do we systematically prepare fuel nanoparticles with controlled shapes and sizes? What are the desirable shapes and sizes of these nanoparticles? What kind of synthetic passivation layers are needed to produce rugged systems resisting oxidation during storage, while decreasing sensitivity? What factors control the depassivation kinetics and how do we tailor the rates?

13 Research Questions (2/3) Given fuel nanoparticles, what are the best forms for the oxidizer: fuel particle coatings, oxidizer nanoparticles, or polymer matrix oxidizer? What sorts of nano oxidizer particles can be synthesized? How do we measure the structures, surfaces, and surface bonding in energetic nanoparticles? How do we engineer fuel/oxidizer combinations with control on all length scales? How is performance affected by organizing the materials on larger length scales? What structures allow us to control the rate of energy release over a wide range of conditions: passivation layers, 3D architectures, or concentration gradients? What structures lead to reduced sensitivity?

14 Research Questions (3/3) How does systematic variation of nanoparticle properties (size, passivation layer, etc.) affect chemical reaction dynamics? At what length scales do chemical reaction dynamics become significant/dominant? What kinds of prototype materials can we synthesize and what kinds of synthetic methods can we develop that could readily enhance the performance of materials critical to the DoD mission?