Vacancy enhanced formation and phase transition of Cu-rich precipitates in α - iron under neutron irradiation

Lv, Guocai; Zhang, Hao; He, Xinfu; Yang, Weiming; Su, Yanjing

doi:10.1063/1.4946784

Cited by 3 publications

(1 citation statement)

References 46 publications

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“…Thus, it is very important to understand the effect of vacancy on Cu precipitation behavior in HSLA steel during the aging process, in order to improve the mechanical properties of HSLA steel and to design and develop new high-quality HSLA steel grades. Lv et al [ 9 ] studied the effect of vacancy in BCC (body-centered cubic)-Fe on Cu atom precipitation during aging by using the molecular dynamics (MD) method. They found that the presence of vacancies will expand the diffusion coefficient of Cu atoms and promote the formation of Cu precipitates containing twin boundary and stacking faults of the FCC structure.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Research on the Impact of Vacancies on Cu Precipitation in BCC-Fe

et al. 2021

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The molecular dynamics (MD) simulation method was used to explore the impact of vacancy concentration (0 at%, 0.1 at% and 0.2 at%) on the diffusion and precipitation rate of Cu atoms in the Fe-3.5Cu alloy and the growth of Cu precipitation during the aging process of the alloy. The mechanism of the influence of Cu precipitation relative to the tensile properties of Fe-3.5Cu alloy was investigated. The results showed that the presence of vacancies will promote the diffusion and precipitation of Cu atoms in the Fe-3.5Cu alloy, but the diffusion and precipitation rate of Cu atoms does not always increase with the increase in vacancies. In the alloy containing 0.2 at% vacancies, the diffusion and precipitation rate of Cu atoms is lower than that in the alloy containing 0.1 at% vacancies. During the aging process, when the alloy contains no vacancies, no Cu precipitates will be produced. In the alloy containing 0.1 at% vacancies, the size of the Cu precipitates produced is larger than the size of the Cu precipitates produced in the alloy containing 0.2 at% vacancies, but the number of precipitates is less than that in the alloy with 0.2 at% vacancies. During the tensile process, the Cu precipitates will promote early occurrence of phase transition of the internal crystal structure in the Fe-3.5Cu alloy system, and lead to the generation of vacancy defects in the system, thus weakening the yield strength and strain hardening strength of the alloy.

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Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Research on the Impact of Vacancies on Cu Precipitation in BCC-Fe

et al. 2021

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MD Simulations and first principles to evaluate the role of binary Fe–V alloys layer on the radiation resistance in the alpha-iron

Zhang

Ding

Peng

et al. 2018

Molecular Simulation

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Phase field study of effect of Al on Cu-rich precipitates in Fe-Cu-Mn-Al alloys

郭震¹,

赵宇宏²,

孙远洋³

et al. 2021

Acta Phys. Sin.

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Low carbon steel plays an important role in many applications due to its high strength. Its high strength comes from the strengthening effect of nano-Cu-rich phase precipitates. In order to effectively adjust the microstructure of Cu-rich phase precipitates and obtain Fe-Cu-based steel with the best properties by adding different alloying elements (Mn, Al), it is necessary to understand the precipitation process of Cu particles. In this paper, based on the Ginzburg-Landau theory, the previous phase field model is modified, and the continuous phase field method is used to simulate the precipitation mechanism of nanometer Cu-rich precipitates and the inhibiting of the effect of Al content on Cu-rich precipitates of Fe-15%Cu-3%Mn-xAl (x = 1%, 3%, 5% mass fraction) alloy at 873 K isothermal aging. Combining with the free energy derived from thermodynamics database, the microstructure evolution corresponds to the real alloy system. By calculating the composition field variables and structural order parameters, the evolution of phase separation and precipitated phase morphology in aging process are simulated. Moreover, the influence law of morphology, quantity density, average particle radius, growth and coarsening of Cu-rich precipitated phase are discussed. The results show that in the early stage of aging process, the nano-Cu-rich phase precipitates through the spinodal decomposition mechanism, and is randomly distributed in the iron matrix. Furthermore, due to the difference in atomic diffusion rate, the core-shell structure with Cu-rich phase as a core is formed. With the aging time extending, the structure of Cu-rich phase precipitates changes from bcc to fcc. Because of the synergistic effect between Al and Cu, the diffusion of Cu is slowed down. Besides, with the Al and Mn atoms precipitating, Al/Mn clusters are segregated around the Cu-rich precipitates, forming the Al/Mn intermetallic core-shell structure, and gradually wrapping the Cu-rich phase uniformly. During the evolution of the precipitation stage, the Al/Mn clusters are isolated around the Cu-rich precipitation phase, forming a gradually uniform Al/Mn intermetallic phase core shell structure covering the Cu-rich phase, which is to hinder the buffer layer from forming in the precipitation stage of the reservoir. In addition, with the Al content increasing, the Al/Mn intermetallic phase promotes the growth of the buffer layer and hinders the Cu-rich precipitate phase from growing and coarsening.

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Vacancy enhanced formation and phase transition of Cu-rich precipitates in α - iron under neutron irradiation

Cited by 3 publications

References 46 publications

Molecular Dynamics Research on the Impact of Vacancies on Cu Precipitation in BCC-Fe

Molecular Dynamics Research on the Impact of Vacancies on Cu Precipitation in BCC-Fe

MD Simulations and first principles to evaluate the role of binary Fe–V alloys layer on the radiation resistance in the alpha-iron

Phase field study of effect of Al on Cu-rich precipitates in Fe-Cu-Mn-Al alloys

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