Bulletin of the American Physical Society
19th Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 60, Number 8
Sunday–Friday, June 14–19, 2015; Tampa, Florida
Session Z2: Energetic and Reactive Materials XII: Materials by Design II |
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Chair: Bryce Tappan, Los Alamos National Laboratory, John Brennan, Army Research Laboratory Room: Grand F |
Friday, June 19, 2015 11:15AM - 11:45AM |
Z2.00001: The Quest for Greater Chemical Energy Storage: A Deceiving Game of Nanometer Manipulation Invited Speaker: C. Michael Lindsay It is well known that modern energetic materials based on organic chemistry have nearly reached a plateau in performance with only $\sim$ 40{\%} improvement realized over the past half century. This fact has stimulated research on alternative chemical energy storage schema in various US government funded ``High Energy Density Materials'' (HEDM) programs since the 1950's. These efforts have examined a wide range of phenomena such as free radical stabilization, metallic hydrogen, metastable helium, polynitrogens, extended molecular solids, nanothermites, and others. In spite of the substantial research investments, significant improvements in energetic material performance have not been forthcoming. In this talk we will survey various fundamental modes of chemical energy storage, lesson's learned in the various HEDM programs, and areas that are being explored currently. A recurring theme in all of this work is the challenge to successfully manipulate and stabilize matter at the $\sim$ 1 nm scale. [Preview Abstract] |
Friday, June 19, 2015 11:45AM - 12:00PM |
Z2.00002: Modeling the stability and growth of metalloid clusters for energetic materials Joe Hooper, Sufian Alnemrat Metal and metalloid clusters are currently under study as energetic materials that may retain the high energy density of bulk metals but offer substantially faster reaction kinetics. Ligand-stabilized aluminum clusters have received particular attention in this regard, but experimental synthesis of these clusters with tailored ligands or new structures has proven extremely challenging. Here we present density functional theory and quantum molecular dynamics simulations to examine the stability and cluster-forming behavior of metalloid Al and related systems. A proposed magic-number shell closure model is examined to determine the importance of electronic structure stability versus other effects during synthesis. Metadynamics simulations are used to study the initial stages of cluster oxidation in a computationally efficient fashion, and are shown to be in good agreement with recent experimental gas phase oxidation studies. We discuss prospects and initial simulations for constrained cluster growth on nanoporous frameworks or templated surfaces. [Preview Abstract] |
Friday, June 19, 2015 12:00PM - 12:15PM |
Z2.00003: Thin films of energetic materials by physical vapor deposition: TATB and LLM-105 David Williamson, Sue Gymer, Colum O'Conner, Adam Hazelwood, Andrew Jardine Thin films of energetic materials enable a diverse range of characterization measurements: structure, surface energy and adhesion, and even reactivity. Here we present a method to grow thin films by a physical vapor deposition method (sublimation) using a dedicated instrument which can operate at ultra-high vacuum. The approach enables fabrication of thin films of energetic materials that are otherwise difficult to process by traditional methods, for example because of their low solubility. The intention is to use this instrument as a platform for studying pure materials and co-deposited materials grown either as multi-layers or as co-crystals. Examples of TATB and LLM-105 film morphologies grown using this technique are presented. [Preview Abstract] |
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