Screw dislocation–spherical void interactions in fcc metals and their dependence on stacking fault energy

Hayakawa, Sho; Doihara, Kohei; Okita, Tsuyoshi; Itakura, Mitsuhiro; Aichi, Masaatsu; Suzuki, Katsuyuki

doi:10.1007/s10853-019-03716-0

Cited by 20 publications

(4 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The work in Cu is not applicable for austenitic stainless steels due to an alternate stacking fault energy (SFE) and shear modulus. There are many atomic-scale simulations on the interactions of dislocations and defects, e.g., dislocation loops and voids, in austenitic stainless steels [18][19][20][21]. However, studies on the interactions between dislocations and SFTs in austenitic stainless steels are limited or not available, and the interactions between dislocations and SFTs contribute to irradiation hardening is unclear.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulation of the interactions between screw dislocation and stacking fault tetrahedron in Fe–10Ni–20Cr and Ni

Chen¹,

He²,

Chen³

et al. 2020

Modelling Simul. Mater. Sci. Eng.

View full text Add to dashboard Cite

Radiation-induced defects are the significant cause of radiation damage in austenitic stainless steels. In this work, the interactions between a screw dislocation and stacking fault tetrahedrons (SFTs) are studied in Fe–10Ni–20Cr (a model alloy of austenitic stainless steel) and Ni, using molecular dynamics simulations. Four interaction processes were primarily found, including (1) partial absorption, (2) sheared, (3) bypassing, and (4) restored through double cross-slip. In Fe–10Ni–20Cr alloys, there is almost no correlation between the critical resolved shear stress (CRSS) value and SFT size, but the intersection position largely impacts the results. And the CRSS value decreases with temperature increasing in Fe–10Ni–20Cr. The occurrence of cross-slip has a significant effect on the interactions, and there exist greater CRSS value in the interactions of cross-slipping. Besides, the occurrence of the cross-slip is linked to the stacking fault energy and the distribution of solute atoms of the alloys.

show abstract

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulation of the interactions between screw dislocation and stacking fault tetrahedron in Fe–10Ni–20Cr and Ni

Chen¹,

He²,

Chen³

et al. 2020

Modelling Simul. Mater. Sci. Eng.

View full text Add to dashboard Cite

show abstract

“…When the cathode current density was 500 A/m 2 , and the anode was 1000 A/m 2 , the macroscopic surface morphology of manganese metal was uneven and had many protrudes, with noticeable dendritic crystals at the edges. This may have been caused by the mechanism of "helical dislocation growth" 20,21 , and excessive current density caused crystals to deposit along the dislocation line and develop dendrites. Such "outburst growth" dendrites will increase the effective area of the cathode plate but reduce the actual current density and hydrogen overpotential, affecting the cathode's manganese production rate.…”

Section: Accepted M Manuscriptmentioning

confidence: 99%

Electrodeposition of Manganese Metal and Co-production of Electrolytic Manganese Dioxide Using Single-membrane Double-chamber Electrolysis

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Via MD simulations, researchers measured dislocation mobility in face-centered cubic (FCC) [26][27][28][29][30][31][32], body-centered cubic (BCC) [25,[33][34][35][36] and hexagonal close-packed (HCP) [37][38][39] metals. MD simulations are also carried out to explain the interactions between dislocations and different obstacles, such as dislocation-void interaction [40][41][42][43], dislocation-precipitate interaction [44][45][46][47] and dislocation-GB interaction [48][49][50][51].…”

Section: Introductionmentioning

confidence: 99%

“…In many of the MD simulations mentioned above, researchers utilized various model settings, choices usually driven by technical development or particular research goals. For example, over the years, newer formulations of interatomic potentials for copper have been tested via investigations of dislocation dynamics [43,[52][53][54][55]. Among these interatomic potentials, the intrinsic stacking fault energy varies, leading to discrepancies associated with dissociated core width, mobility, and reactions involving dislocations.…”

Section: Introductionmentioning

confidence: 99%

Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: a comparative study

Jian

Zhang

et al. 2020

Modelling Simul. Mater. Sci. Eng.

View full text Add to dashboard Cite

Atomistic simulation methods are appropriate tools for investigating the dynamics of dislocations and their interactions with obstacles in metallic materials. In particular, molecular dynamics (MD) simulations have been widely employed on these two topics in the past several decades. However, even for the same type of simulation, the results can vary. While some of the quantitative differences may be due to the choices of interatomic potential and simulation cell size, they could similarly be attributed to choice of model settings, which have also differed substantially to date. In this paper, we carry out systematic MD simulations to study the effects of a few key model settings on the dynamics of an edge dislocation and its interaction with a void in copper. For a fixed interatomic potential, three modeling parameters, including applied loading mode, boundary conditions, and thermostat, are considered and their influences on the stress–strain response, the dislocation velocity, and the critical stress for a dislocation to bypass a void are compared. For a few select cases, we further examine the influence of temperature, strain rate, and simulation cell size. The results show that (i) compared with flexible boundary conditions, rigid boundary conditions result in greater stress oscillations in simulation cells of certain sizes; (ii) compared with the cases of no thermostat and a full thermostat, a partial thermostat provides better temperature control and lower friction on the dislocation core, respectively; and (iii) for dislocation–void interactions, the critical dislocation bypassing stress in shear loading can be appropriately determined with either a constant applied strain rate or a constant applied stress although the strain rate cannot be controlled in the latter. This analysis reveals that these three settings greatly influence the accuracy and interpretation of the results for the same type of simulation.

show abstract

Screw dislocation–spherical void interactions in fcc metals and their dependence on stacking fault energy

Cited by 20 publications

References 31 publications

Molecular dynamics simulation of the interactions between screw dislocation and stacking fault tetrahedron in Fe–10Ni–20Cr and Ni

Molecular dynamics simulation of the interactions between screw dislocation and stacking fault tetrahedron in Fe–10Ni–20Cr and Ni

Electrodeposition of Manganese Metal and Co-production of Electrolytic Manganese Dioxide Using Single-membrane Double-chamber Electrolysis

Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: a comparative study

Contact Info

Product

Resources

About