Effects of dislocation network on radiation damage in iron investigated by molecular dynamics method

IF 5.3 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Wenhua Li , Wahyu Setyawan , Fei Gao , Xuelin Wang , Ning Gao
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引用次数: 0

Abstract

Effects of dislocation networks on the evolution of displacement cascades and related mechanical properties and void swelling in BCC-Fe are investigated at atomic scale through molecular dynamics simulations. An atomistic model containing dislocation networks is built based on a coupled method developed in this work. Formation of more sub-cascades, strong biased absorption of interstitials, formation of more vacancies, and existence of pinned 1/2<111> interstitial loops are explored, which may be induced by inhomogeneous stress fields and related changes of dislocation network-defect interactions. The ultimate tensile and shear stresses of the dislocation network model are only slightly affected by multiple cascades, while void swelling is higher than that obtained in a perfect lattice under the same conditions. Thus, the effects of dislocation networks provide new understanding for some experimental results and should be considered in meso/macro-scale simulations to obtain more reliable results.

Abstract Image

用分子动力学方法研究了位错网络对铁辐射损伤的影响
通过分子动力学模拟,在原子尺度上研究了位错网络对BCC-Fe中位移级联演化及相关力学性能和空隙膨胀的影响。一个包含位错网络的原子模型是基于在这项工作中开发的一种耦合方法建立的。形成更多的亚级联,间隙的强偏吸收,形成更多的空位,存在钉住的1/2<;111>;研究了由不均匀应力场和位错网络-缺陷相互作用的相关变化引起的间隙环。多级联对位错网络模型的极限拉伸应力和剪切应力影响较小,而在相同条件下,位错网络模型的空洞膨胀率高于完美晶格模型。因此,位错网络的影响为一些实验结果提供了新的理解,应该在中观/宏观尺度模拟中加以考虑,以获得更可靠的结果。
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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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