A peridynamic model for oxidation and damage in zirconium carbide ceramics

IF 5 2区工程技术 Q1 ENGINEERING, MECHANICAL

International Journal of Heat and Mass Transfer Pub Date : 2024-11-14 DOI:10.1016/j.ijheatmasstransfer.2024.126414

Francesco Scabbia , Claudia Gasparrini , Mirco Zaccariotto , Ugo Galvanetto , Florin Bobaru

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引用次数: 0

Abstract

Zirconium carbide (ZrC) has potential to be applied in next-generation nuclear reactors for space missions and industrial applications. The mechanisms controlling ZrC oxidation dependence on temperature, material composition, pressure, porosity are not fully understood. In this work, we use a peridynamic modeling of diffusion/reaction across several regions observed in previous experiments to explain the oxygen diffusion mechanism and reaction kinetics. We emphasize the importance in the oxidation and damage process of a transition layer of partially-oxidized ZrC. The peridynamic model has an autonomously moving oxidation interface, and the delamination/detachment of oxide (induced by large volumetric expansion) is simulated here with an oxygen concentration-driven damage model. Once the diffusion properties are calibrated to match the measured oxygen concentration across the oxidation front, the speed of propagation of the oxidation front is predicted by a 1D peridynamic model in excellent agreement with experimental observations. An extension to 2D finds the shape of remaining unoxidized ZrC conforming to experimental observations.

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碳化锆陶瓷氧化和损伤的周动态模型

碳化锆（ZrC）具有应用于下一代核反应堆、太空任务和工业应用的潜力。控制碳化锆氧化的机制与温度、材料成分、压力和孔隙率的关系尚未完全明了。在这项工作中，我们利用以往实验中观察到的几个区域的扩散/反应的周动态模型来解释氧的扩散机制和反应动力学。我们强调了部分氧化的 ZrC 过渡层在氧化和损坏过程中的重要性。周动态模型有一个自主移动的氧化界面，氧化物的分层/脱落（由大体积膨胀引起）在这里用氧浓度驱动的损伤模型进行模拟。一旦校准了扩散特性，使其与测量到的氧化前沿氧气浓度相匹配，氧化前沿的传播速度就可以通过一维周向动力学模型预测出来，与实验观测结果非常吻合。扩展到二维后，发现剩余未氧化 ZrC 的形状与实验观测结果一致。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

International Journal of Heat and Mass Transfer 工程技术-工程：机械

CiteScore

10.30

自引率

13.50%

发文量

1319

审稿时长

41 days

期刊介绍： International Journal of Heat and Mass Transfer is the vehicle for the exchange of basic ideas in heat and mass transfer between research workers and engineers throughout the world. It focuses on both analytical and experimental research, with an emphasis on contributions which increase the basic understanding of transfer processes and their application to engineering problems. Topics include: -New methods of measuring and/or correlating transport-property data -Energy engineering -Environmental applications of heat and/or mass transfer