Engineered Metastable Intermolecular Composites: Microstructures, Combustion and Applications

拟议的研究计划旨在开发新的纳米铝基含能材料，或亚稳态分子间复合材料(MIC)，使其能够可靠地用于新兴的民用和国防应用，如纳米卫星和微电子设备。这些复合材料由纳米铝粉(n-Al)和纳米结构氧化物成分(如CuO、Fe2O3、NiO或MnO3)制成，具有特定的化学和物理性能。点火后，n-Al与金属氧化物迅速反应，形成新的材料相，伴随着强烈的能量释放，随后在受限的环境中产生压力波。与TNT和RDX等单分子材料相比，MIC具有更大的体积能量密度，在推进和驱动基于微电子机械系统(MEMS)的器件中得到了广泛的应用。该研究计划的两个主要目标是，寻求对n-Al基MIC微观结构与其点火和固态反应动力学之间关系的基本了解的突破，以及探索创新的混合和制造技术，以生产具有可控火焰传播速度的工程MIC图案，以潜在地应用于MEMS能源供应和先进材料连接。 在未来五年内，拟议的研究方案将致力于实现上述目标的理论和实验研究。第一个任务是表征MIC的微结构和材料性能。各种金属氧化物纳米结构，包括纳米粒子、纳米线和纳米棒都将被合成。用分析化学技术表征纳米粒子的粒度分布和形貌、晶体结构和化学组成，以确定纳米粒子(类型和形状等)、微观结构和MIC性能之间的关系。第二个任务是研究MIC粉末的着火、反应特性和火焰传播规律。为了研究单个n-Al的着火和燃烧，将开发一种新型的尺寸分辨纳米颗粒气体化学分析装置。实验研究还将在热点火的热重分析仪(TGA)和电点火和激光点火的恒容容器中进行。用密度泛函理论和分子动力学方法揭示表面反应、原子扩散和体积膨胀过程。第三项任务是探索MICS的应用。在满足MIC材料和结构特性的前提下，采用并优化光刻技术，将MIC有效地植入到目标芯片上的特定位置。然后对局部发热量进行量化和研究，为材料连接提供能量，并作为驱动MEMS元件的功率脉冲源。 加拿大在下一代工程MIC的研究和开发方面落后，尤其缺乏有助于基本了解工程亚稳分子间复合材料的点火和反应特性的程序。拟议的项目将解决这一关键差距，并产生一支世界级的研究团队，这将有可能使加拿大成为该领域的全球领先者。

The proposed research program targets the development of new nano-aluminum based energetic materials, or metastable intermolecular composites (MICs), to enable their reliable uses in emerging civil and defense applications such as nanosatellites and microelectronic devices. These composites, made of nanosized aluminum powders (n-Al) and a nanostructured oxide component such as CuO, Fe2O3, NiO or MnO3, are engineered with specific chemical and physical properties. After ignition, n-Al reacts rapidly with the metal-oxide and forms new material phases, accompanied by intensive energy release and, subsequently, generation of a pressure wave in a constrained environment. In comparison with monomolecular materials such as TNT and RDX, MIC possesses a much greater volume based energy density and has proven applications in propulsion and powering microelectromechanical system (MEMS) based devices. Two major objectives of the proposed research program are, to seek a breakthrough in fundamental understanding of the correlations between the microstructures of n-Al based MICs and their ignition and solid-state reaction kinetics, and to explore innovative mixing and fabrication technologies for producing engineered MIC patterns with controlled flame propagation rates for potential applications in MEMS energy supply and advanced material joining. Over the next five years, the proposed research program will address both theoretical and experimental studies in pursuit of the above objectives. The first task focuses on characterizing the micro-structures and material properties of MICs. Various metal oxide nanostructures including nanoparticles, nanowires and nanorods will be synthesized. After being mixed with n-Al, the particle size distribution and morphology, crystalline structures and chemical compositions of MICs will be characterized with analytical chemistry techniques, in order to identify the correlations among nanoparticles (types and shapes, etc.), microstructures and MIC properties. The second task focuses on investigating ignition and reaction characteristics and flame propagation of the MIC powder and patterns. A novel size-resolved nanoparticle-gas chemical analysis apparatus will be developed to investigate ignition and combustion of individual n-Al. Experimental investigations will also be performed in a Thermogravimetric analyzer (TGA) with thermal ignition and in a constant-volume vessel with electrical and laser ignition, respectively. The density functional theory and molecular dynamics method will be implemented to reveal the surface reactions and atomic diffusion and volume expansion processes. The third task focuses on exploring the applications of MICs. The photolithography technique will be adopted and optimized, satisfying the material and structural properties of MICs, to effectively implant MICs on specified locations on a target chip. Then the localized heat generation, ignited with a preferable source, will be quantified and investigated to provide energy for material joining and act as a power pulse source to actuate MEMS components. Canada is falling behind in the research and development of next-generation engineered MICs, and is particularly lacking in programs that will contribute a basic understanding of ignition and reaction characteristics of engineered metastable intermolecular composites. The proposed project will address this critical gap and produce a world-class research team which will potentially make Canada a global leader in this field.