Molecular Dynamics Simulation of Porous Layer-enhanced Dislocation Emission and Crack Propagation in Iron Crystal

Li, D.; Meng, Fanbo; Ma, Xingqiao; Li, Qiao; Wuyang, Chu

doi:10.1016/s1005-0302(11)60181-3

Cited by 7 publications

(4 citation statements)

References 18 publications

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“…The maximum S 11 appeared at the interface. An eigenstrain analysis 3 and molecular dynamics simulation 2 on the stress distribution in the de-alloyed layer and substrate region revealed that the maximum tensile stress existed at the interface, which is consistent with our FEM results.…”

Section: Resultssupporting

confidence: 89%

“…Consequently, a stress (referred to as the CPF-induced stress) will be induced in the metallic substrate to balance the residual stresses in the CPFs 1 . Experimental and theoretical studies have demonstrated that the CPF-induced stress is usually tensile and the maximum tensile stress exists at the interface between the CPF and the metallic substrate 1 2 3 on the matrix side. Systematic studies 4 5 6 7 8 9 10 11 12 13 14 15 16 have revealed that the dependence of the CPF-induced stress on the anion concentration 4 , the pH value 5 of the solution, and the applied potential 6 and hydrogen concentration in the specimens 7 corresponds with the SCC susceptibility results from slow strain rate tests.…”

mentioning

confidence: 99%

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Corrosion Product Film-Induced Stress Facilitates Stress Corrosion Cracking

Wang

Zhang

Ren

et al. 2015

Sci Rep

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Finite element analyses were conducted to clarify the role of corrosion product films (CPFs) in stress corrosion cracking (SCC). Flat and U-shaped edge-notched specimens were investigated in terms of the CPF-induced stress in the metallic substrate and the stress in the CPF. For a U-shaped edge-notched specimen, the stress field in front of the notch tip is affected by the Young’s modulus of the CPF and the CPF thickness and notch geometry. The CPF-induced tensile stress in the metallic substrate is superimposed on the applied load to increase the crack tip strain and facilitate localized plasticity deformation. In addition, the stress in the CPF surface contributes to the rupture of the CPFs. The results provide physical insights into the role of CPFs in SCC.

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Section: Resultssupporting

confidence: 89%

mentioning

confidence: 99%

Corrosion Product Film-Induced Stress Facilitates Stress Corrosion Cracking

Wang

Zhang

Ren

et al. 2015

Sci Rep

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“…It can be concluded that for a U-shaped single-edge-notched specimen, with an increase in CPF Young's modulus, the peak S 11 decreases and the absolute value of the stress in the CPF increases. Eigen-strain analysis [22] and molecular dynamics simulation [23] in a flat specimen on the stress distribution in de-alloyed layer and substrate region show that there is a tensile stress in the substrate, which is in good accordance with the FEM results. But differently, the maximum tensile stress exists at the interface in the flat specimen, while in U-shaped single-edgenotched specimen, it appears near the interface.…”

Section: Resultssupporting

confidence: 78%

Finite element analysis of stress corrosion cracking for copper in an ammoniacal solution

et al. 2015

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Finite element analyses including a cohesive zone model (CZM) were conducted to investigate the role of corrosion product films (CPFs) in stress corrosion cracking (SCC) for copper in an ammoniacal solution. It is found that a tensile CPF-induced stress generates near the interface between the CPF and the copper substrate at the substrate side in front of the notch tip for a U-shaped edgenotched specimens. The CPF-induced stress is superimposed on the applied stress to enhance emission and motion of dislocations. The peak opening stress (S 11 ) increases with an increase in CPF thickness and a decrease in CPF Young's modulus. Damage mechanics based on the CZM was applied to study the stress corrosion crack initiation and propagation by analyzing the stress redistributions and load-displacement curves. The results show that the crack initiates first in the CPF and then propagates to the copper substrate. The fracture strain of the specimen covered a CPF is lower than that without a CPF. Based on the simulation results, the mechanism of the CPF-induced SCC, which promoted the initiation and propagation of the stress corrosion cracks, was discussed.

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“…When a passive film forms on the surface of a crack tip during EAC, even at only several nanometers, it can still effectively slow down or block the diffusion of hydrogen permeating into the crack tip [43], and decreases the EAC rate dramatically. Moreover, the growth of CPFs will also induce extra stress (referred to as CPF-induced stress), which could lead to the redistribution of stress [44][45][46][47][48] and hydrogen redistribution [27], and eventually affect the EAC susceptibility [49][50][51][52].…”

Section: Introductionmentioning

confidence: 99%

Modeling Corrosion Product Film Formation and Hydrogen Diffusion at the Crack Tip of Austenitic Stainless Steel

Yang,

Zhang,

Zhang

2023

Materials

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Corrosion product films (CPFs) have significant effects on hydrogen permeation and the corrosion process at the crack tip. This paper established a two-dimensional calculation model to simulate the formation of CPFs at the crack tip and its effects on the crack tip stress status and hydrogen diffusion. The CPFs were simplified as a single-layer structure composed of Fe2O3, the effective CPFs boundary was modeled by the diffusion of oxygen, and the CPF-induced stress was modeled by hygroscopic expansion. The simulation was conducted with two stages; the first stage was to simulate the formation of CPFs formation and its effects on the crack tip stress status, while the second stage focused on the hydrogen diffusion with and without CPF formation under different external tensile loads. The results indicate that the highest compressive stress induced by the formation of CPFs is located at 50~60° of the crack contour and dramatically weakens the crack tip tensile stress at low-stress status. The CPFs can inhibit the hydrogen permeation into the crack tip, and the hydrostatic pressure effects on the redistribution of the permeated hydrogen are significant under larger external load conditions.

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Molecular Dynamics Simulation of Porous Layer-enhanced Dislocation Emission and Crack Propagation in Iron Crystal

Cited by 7 publications

References 18 publications

Corrosion Product Film-Induced Stress Facilitates Stress Corrosion Cracking

Corrosion Product Film-Induced Stress Facilitates Stress Corrosion Cracking

Finite element analysis of stress corrosion cracking for copper in an ammoniacal solution

Modeling Corrosion Product Film Formation and Hydrogen Diffusion at the Crack Tip of Austenitic Stainless Steel

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