Grain Boundary Embrittlement of Fe Induced by P Segregation: First-Principles Tensile Tests

Yuasa, Motohiro; Mabuchi, Mamoru

doi:10.4028/www.scientific.net/amr.409.455

Cited by 5 publications

(3 citation statements)

References 27 publications

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“…To elucidate the strengthening/embrittling effect of Si, P, and S on GBs, the strengthening energies based on the Rice-Wang model were calculated with values of 0.80 eV, 0.95 eV, and 1.55 eV, respectively. This implies that the impurity elements all decrease the GB cohesion and result in an embrittling effect on the GB, which is in good agreement with previous literature [11,18,[27][28][29]. During the process of calculation, a pre-crack was introduced in the fracture plane, which is critical to determine the effect of the impurity atom.…”

Section: Strengthening Energies and Tensile Testssupporting

confidence: 89%

First Principles Study of the Effects of Si, P, and S on the ∑5 (210)[001] Grain Boundary of γ-Fe

Xu,

Cao,

Huang

et al. 2024

Metals

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Solutes segregating at the grain boundary (GB) have a significant influence on the mechanical and chemical properties of steel. In this study, the segregation effects of Si, P, and S on γ-Fe ∑5 (210)[001] GB were systematically analyzed with solution energy, segregation energy, and tensile tests by using a first principles calculation. Si, P, and S are preferred to segregate at substitutional sites in the first layer near the GB. The variation in atomic configuration and electron distribution were investigated by the analysis of bond lengths, charge density, charge density difference, and density of states (DOS), which is caused by the atomic size and electronegativity of solute atoms. Through tensile tests, it was found that Si has a strengthening effect on GB, while P and S exhibit embrittlement effects at low concentration. As the concentration of solutes increase, the segregation sites of P are different from the others owing to the tendency to form Fe3P. The exhibited embrittlement effect is mitigated at first and then aggravated. However, in both cases Si and S show aggravating embrittlement effects on GB cohesion, while the effect of Si changes from strengthening to embrittlement. This work provides comprehensive insights into the effects of Si, P, and S, which will be a useful guidance in steel design.

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Section: Strengthening Energies and Tensile Testssupporting

confidence: 89%

First Principles Study of the Effects of Si, P, and S on the ∑5 (210)[001] Grain Boundary of γ-Fe

Xu,

Cao,

Huang

et al. 2024

Metals

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“…GB embrittlement of steel by phosphorus segregation is widely known . The lowering of tensile strength and strain to failure of Fe by P, attributable to the covalent‐like character of Fe–P bond, has recently been demonstrated by Yuasa and Mabuchi using first principles tensile tests. Boron replaces phosphorus segregated at the austenite GBs, thus suppressing the GB segregation of phosphorus .…”

Section: Effect Of Boron On Toughness and Possible Mechanismsmentioning

confidence: 99%

Boron in Heat‐Treatable Steels: A Review

Sharma

Ortlepp

Bleck

2019

steel research int.

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The science and technology of boron addition to heat‐treatable steels are explained. The aim is to address the following: How to add boron to steel (i.e., the manufacturing aspects of boron addition to steel)? What precautions are necessary when alloying boron to steel, in terms of composition (mainly nitrogen, aluminum, and titanium contents), processing and heat treatment (i.e., material and process robustness and reproducibility for a consistent steel quality)? Where does boron go in steel (i.e., the state of boron, interstitial or substitutional solute, precipitate or a complex with other alloying elements; as well as the location of boron, i.e., dissolved as a solute in the grain or segregated at the grain boundary)? Which characterization methods are suitable for the detection of the very small amounts of boron (<30 wt ppm) in heat‐treatable steels? What does boron do in steel (i.e., its effect on hardenability and mechanical properties, specifically impact toughness)? How does it do and what it does (i.e., the physical mechanism by which it influences the properties)? How much boron is really required to achieve the desired properties in heat‐treatable steels (i.e., recommendations for the optimum boron content)?

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“…Phosphorous is also known to suppress the formation of cementite and thereby increase the amount of austenite retained at room temperature [3]. However, the segregation of phosphorous to the grain boundaries during welding leads to embrittlement [7,8]. The formation of complex phosphides affects the amount of substitutional elements in solid solution in the matrix and thereby the hardenability of the steels [9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Elemental segregation during resistance spot welding of boron containing advanced high strength steels

Amirthalingam

Kwakernaak

et al. 2015

Weld World

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The partitioning behaviour of carbon, phosphorous and boron during the solidification of a resistance spot weld pool was studied using experimental simulations and a phase field model. Steels with varying carbon, phosphorous and boron contents were designed and subjected to a range of resistant spot welding thermal cycles. Mechanical properties were evaluated by hardness and cross tension tests and correlated with the weld microstructure. Phase field modelling results and experimental predictions show that the phosphorus concentration in the last area in the weld pool to solidify can reach about 0.38 wt% for a steel with a bulk concentration of 0.08 wt%. Elemental analysis indicates that in the absence of boron, the grain boundaries of columnar grains in the weld pool are decorated with phosphorous. As a result, a complete interface failure occurs during cross tension testing. With the addition of boron, apart from an increase in weld strength and plug diameter, the failure mode switches to a complete plug mode, resulting from the phosphorous depletion at the grain/inter-phase boundaries.

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Grain Boundary Embrittlement of Fe Induced by P Segregation: First-Principles Tensile Tests

Cited by 5 publications

References 27 publications

First Principles Study of the Effects of Si, P, and S on the ∑5 (210)[001] Grain Boundary of γ-Fe

First Principles Study of the Effects of Si, P, and S on the ∑5 (210)[001] Grain Boundary of γ-Fe

Boron in Heat‐Treatable Steels: A Review

Elemental segregation during resistance spot welding of boron containing advanced high strength steels

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