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首页> 外文会议>International workshop on nanodesign technology and computer simulations >Modeling the kinetics of non-isothermal heterogeneous interaction during combustion synthesis of advanced micro- and nanocrystalline materials
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Modeling the kinetics of non-isothermal heterogeneous interaction during combustion synthesis of advanced micro- and nanocrystalline materials

机译：燃烧合成高级微铝和纳米晶体材料期间非等温异质相互作用的动力学

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The combustion synthesis (CS), or self-propagating high-temperature synthesis (SHS) is a cost and energy efficient route for producing a wide range of refractory compounds (carbides, silicides, intermetallics) and advanced micro- and nanocrystalline materials. However, despite 40 years of extensive studies and industrial applications, intricate phase formation mechanisms that operate during CS are still not well understood. This hinders the development of novel materials and SHS-based technologies. An answer to the most urgent question in this area, viz. "why in CS the interaction accomplishes in a short time, ～0.1-1 s, while the traditional furnace synthesis of the same material takes several hours for the same starting composition, particle size and final temperature," can be found only through mathematical modeling. In this work, the results of mathematical modeling of the interaction kinetics in condensed systems in non-isothermal conditions typical of CS are reported. Calculations were performed using the experimental data on SHS and diffusion parameters for the product phases on the example of TiC and NiAl. The maps of phase formation mechanisms that operate during CS are constructed. The uncommon, non-equilibrium interaction pathways, which were observed experimentally and debated in literature, are confirmed theoretically ex contrario.
机译：燃烧合成（CS）或自我繁殖的高温合成（SHS）是生产各种耐火化合物（碳化物，硅化物，金属间质）和先进的微铝和纳米晶体材料的成本和节能途径。然而，尽管有40年的广泛研究和工业应用，但在CS期间运营的复杂相形成机制仍然无法清楚地理解。这阻碍了新型材料和基于SHS的技术的发展。答案在这个领域最紧迫的问题，viz。 “为什么在CS相互作用中在短时间内完成，〜0.1-1秒，而传统的炉合成相同的材料需要几个小时的开始组合物，粒度和最终温度，”只能通过数学建模来找到。在这项工作中，报道了CS典型的非等温条件下凝聚系统中的相互作用动力学的数学建模结果。使用SHS的实验数据和TIC和Nial的实施例的SHS和扩散参数进行计算。构建了在CS期间操作的相位形成机制的地图。从理论上进行了实验和辩论的罕见，非平衡相互作用途径在理论上确认。

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