Computational insights from the thermal spike model into mesoporous silica behavior during swift heavy ion irradiation

IF 1.4 3区 物理与天体物理 Q3 INSTRUMENTS & INSTRUMENTATION Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms Pub Date : 2024-08-22 DOI:10.1016/j.nimb.2024.165512
Jun Lin , Clara Grygiel , Christian Dufour , Xavier Deschanels
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Abstract

Mesoporous silica materials are pivotal in various scientific domains due to their unique properties and versatile applications. However, understanding their response to irradiation, particularly from Swift Heavy Ions (SHI), remains limited. We address this gap by investigating experimental mesoporous silica behavior under 12 MeV Carbon and 92 MeV Xenon bombardment using the Three-Dimensional Thermal Spike Model (3DTS) simulation. Our computational simulations reveal localized heating effects and provide mechanistic insights into experimental observations, shedding light on pore closure and different observed damage patterns. This study is the first application of this model to porous silica and deepens our knowledge of the mechanism of structural evolution under ion bombardment.

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热尖峰模型对介孔二氧化硅在快速重离子辐照下行为的计算启示
介孔二氧化硅材料因其独特的性质和广泛的应用而在各个科学领域中举足轻重。然而,人们对它们的辐照响应,尤其是对迅猛重离子(SHI)辐照响应的了解仍然有限。我们利用三维热尖峰模型(3DTS)模拟研究了介孔二氧化硅在 12 MeV 碳和 92 MeV 氙轰击下的实验行为,从而弥补了这一空白。我们的计算模拟揭示了局部加热效应,为实验观察提供了机理见解,揭示了孔隙闭合和不同的观察损伤模式。这项研究首次将该模型应用于多孔二氧化硅,加深了我们对离子轰击下结构演变机理的了解。
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来源期刊
CiteScore
2.80
自引率
7.70%
发文量
231
审稿时长
1.9 months
期刊介绍: Section B of Nuclear Instruments and Methods in Physics Research covers all aspects of the interaction of energetic beams with atoms, molecules and aggregate forms of matter. This includes ion beam analysis and ion beam modification of materials as well as basic data of importance for these studies. Topics of general interest include: atomic collisions in solids, particle channelling, all aspects of collision cascades, the modification of materials by energetic beams, ion implantation, irradiation - induced changes in materials, the physics and chemistry of beam interactions and the analysis of materials by all forms of energetic radiation. Modification by ion, laser and electron beams for the study of electronic materials, metals, ceramics, insulators, polymers and other important and new materials systems are included. Related studies, such as the application of ion beam analysis to biological, archaeological and geological samples as well as applications to solve problems in planetary science are also welcome. Energetic beams of interest include atomic and molecular ions, neutrons, positrons and muons, plasmas directed at surfaces, electron and photon beams, including laser treated surfaces and studies of solids by photon radiation from rotating anodes, synchrotrons, etc. In addition, the interaction between various forms of radiation and radiation-induced deposition processes are relevant.
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