合金掺杂纳米多孔金属的粗化动力学

IF 5.3 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Scripta Materialia Pub Date : 2024-09-24 DOI:10.1016/j.scriptamat.2024.116373
Luis Granadillo , Joshua Snyder , Zhiyong Xia , Ian McCue
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引用次数: 0

摘要

由于纳米多孔金属具有很高的表面体积比,因此正在被探索用于一系列催化和结构应用。然而,这些材料的形态在热力学上并不稳定,在高温下会发生粗化降解。一种潜在的缓解策略是引入抑制扩散传输的原子物种,但目前对其机理的了解还很有限。为了着手解决这一知识空白,我们利用蒙特卡罗动力学模拟研究了慢扩散掺杂剂对纳米多孔金属粗化行为的影响。利用反应模型和等转换分析对模拟进行了分析,从而提取出构成性粗化规律,该规律证实了与经典表面扩散相关的粗化指数。此外,还得出了合金掺杂物作用的速率方程。研究发现,在实验相关的时间尺度内,只需要几个原子百分点就能阻止粗化,这对这些材料的未来设计和定制具有广泛的影响。
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Coarsening kinetics of alloy-doped nanoporous metals
Due to their high surface-to-volume ratios, nanoporous metals are being explored for a range of catalytic and structural applications. However, these materials have thermodynamically unstable morphologies and degrade via coarsening at elevated temperatures. One potential mitigation strategy is to introduce atomic species that inhibit diffusional transport, but there is limited mechanistic understanding. To begin addressing this knowledge gap, the impact of a slow-diffusing dopant on the coarsening behavior of a nanoporous metal is studied using kinetic Monte Carlo simulations. The simulations were analyzed using reaction models and isoconversional analyses to extract constitutive coarsening laws, which confirm a coarsening exponent associated with classical surface diffusion. In addition, a rate equation is derived for the role of alloying dopants. It is found that only a few atomic percent is needed to stymie coarsening over experimentally relevant timescales, which has broad implications for the future design and tailoring of these materials.
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来源期刊
Scripta Materialia
Scripta Materialia 工程技术-材料科学:综合
CiteScore
11.40
自引率
5.00%
发文量
581
审稿时长
34 days
期刊介绍: Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.
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