Nanoindentation of ZrH2 by molecular dynamics simulation

Shi, Linyuan; Fullarton, Michele L.

doi:10.1016/j.jnucmat.2020.152391

Cited by 5 publications

(2 citation statements)

References 48 publications

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“…This study did not find any significant grain orientation dependence based on the comparison of the hardness map and EBSD result (Figure 2). Modeling nanoindentation behavior would improve understanding of the details of such effects as those studied for ZrH2 [14]. Grain size is also an important factor for the nanoindentation mapping because grain and phase boundaries affect the results.…”

Section: Discussionmentioning

confidence: 99%

Kinetics of Hydrogen Desorption from Yttrium Hydride: The Development of Material Characterization Methods

Koyanagi

Gietl

Garrison

2021

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Section: Discussionmentioning

confidence: 99%

Kinetics of Hydrogen Desorption from Yttrium Hydride: The Development of Material Characterization Methods

Koyanagi

Gietl

Garrison

2021

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“…Molecular dynamics (MD) simulations have received increasing attention in recent years as a complement to experiments, which can accomplish atomic characterization that cannot be solved experimentally. 30,31 The dynamic process of the corrosive medium entering the coating and its diffusion behavior can be obtained by MD simulation. [32][33][34] Previous simulation studies on polymer composite coatings have focused on the mechanical properties of the composites.…”

Section: Introductionmentioning

confidence: 99%

Study on the evolution of impermeability and mechanical properties of epoxy composite coatings

Shang

Yang

2023

Polymer Composites

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The permeation of marine water can lead to severe degradation of the protective properties of polymer composite coatings. At present, experimental studies on the anticorrosive and mechanical properties of polymer composite coatings are relatively mature, but the impermeability and mechanical property changes of the coating during the permeation process are challenging tasks to be studied only by experiments. In this paper, molecular dynamics (MD) models of composite coatings consisting of pure epoxy resin (EP), graphene/epoxy resin (Gr/EP), and graphene oxide/epoxy resin (GO/EP) were constructed respectively. MD simulations were performed to reveal the impermeability and mechanical property changes of composite coatings from an atomic perspective. The results show that GO has strong interfacial interaction with EP and the best effect to enhance the impermeability and mechanical properties of epoxy coatings. NaCl solutions can damage the coating microstructure and occupy the Gr and GO surfaces, causing them to no longer have an enhancing effect. The study of GO/EP coatings with different permeation degrees shows that the mechanical properties of the coating decrease as the penetration degree increases.

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Habit plane of δ-hydride in α-zirconium: Atomistic simulations

Dai

Welland

2023

Journal of Nuclear Materials

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Nanoindentation of ZrH2 by molecular dynamics simulation

Cited by 5 publications

References 48 publications

Kinetics of Hydrogen Desorption from Yttrium Hydride: The Development of Material Characterization Methods

Kinetics of Hydrogen Desorption from Yttrium Hydride: The Development of Material Characterization Methods

Study on the evolution of impermeability and mechanical properties of epoxy composite coatings

Habit plane of δ-hydride in α-zirconium: Atomistic simulations

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