氧化对难熔多元合金热膨胀的影响

IF 1.2 4区材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY

Philosophical Magazine Letters Pub Date : 2021-04-03 DOI:10.1080/09500839.2021.1881641

Eric Osei-Agyemang, G. Balasubramanian

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引用次数: 4

摘要

摘要：我们采用第一性原理计算来检验氧化对难熔多组分合金热膨胀行为的影响。我们的结果表明，与纯材料相比，氧化合金在一定温度范围内的线性膨胀和体积膨胀系数具有更高的值。氧化合金的膨胀增强归因于表面氧化时合金晶格参数的显著变化。在氧化过程中，氧原子在完全表面覆盖后扩散到合金的亚表层，产生形成金属氧化物的组成元素的位移。这种损耗在晶格中产生空位，从而相对于纯耐火合金能够增强氧化结构中的膨胀性。

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Effect of oxidation on the thermal expansion of a refractory multicomponent alloy

ABSTRACT We employ first-principles calculations to examine the role of oxidation on the thermal expansion behaviour of a refractory multicomponent alloy. Our results reveal that the linear expansion and the coefficient of volumetric expansion over a range of temperatures have higher values for the oxidised alloy than the pure material. The enhanced expansion for the oxidised alloy is attributed to significant changes in the lattice parameter of the alloy upon surface oxidation. During oxidation, the diffusion of oxygen atoms to the subsurface layer of the alloy after complete surface coverage produces a displacement of the constituent elements that form metal oxides. This depletion creates vacancy sites in the lattice for enabling enhanced expansivity in the oxidised structure relative to the pure refractory alloy.

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来源期刊

Philosophical Magazine Letters 物理-物理：凝聚态物理

CiteScore

2.60

自引率

0.00%

发文量

审稿时长

2.7 months

期刊介绍： Philosophical Magazine Letters is the rapid communications part of the highly respected Philosophical Magazine, which was first published in 1798. Its Editors consider for publication short and timely contributions in the field of condensed matter describing original results, theories and concepts relating to the structure and properties of crystalline materials, ceramics, polymers, glasses, amorphous films, composites and soft matter. Articles emphasizing experimental, theoretical and modelling studies on solids, especially those that interpret behaviour on a microscopic, atomic or electronic scale, are particularly appropriate. Manuscripts are considered on the strict condition that they have been submitted only to Philosophical Magazine Letters , that they have not been published already, and that they are not under consideration for publication elsewhere.