Effect of alloying elements on mechanical, electronic and magnetic properties of Fe2B by first-principles investigations

Wei, Xiang; Chen, Zhiguo; Zhong, Jue; Wang, Li; Yang, Wei; Wang, Yipeng

doi:10.1016/j.commatsci.2018.02.001

Cited by 26 publications

(17 citation statements)

References 37 publications

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“…For these alloys, the alloying elements have more influence on the hardness of FeB than on Fe 2 B phase. The indentation hardness and indentation modulus for Fe 2 B distinguished according to the alloying element present, determined in this study, are consistent with reported values for similar borides [33,35,50]. However, there are discrepancies between the reported valued of hardness and modulus in the literature, alongside disagreement of the effect of the alloying elements in terms of decrease/increase of hardness/modulus of Fe 2 B [35,[50][51][52][53][54].…”

Section: Hardness and Modulus Of Feb And Fe 2 B Boridessupporting

confidence: 84%

“…However, limited experimental work is available on the nanomechanical properties of Fe 2 B, and even more so on FeB phase, as precipitate phases in boron alloyed materials [29,33,34]. In addition, lately, there is interest across scientific groups on studying the effects of alloying on the mechanical properties of hard boride phases [35][36][37]. The research has shown that the properties can be significantly influenced by the alloying elements, but still their individual influence has not been well defined and entirely understood.…”

Section: Introductionmentioning

confidence: 99%

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The Influence of the Third Element on Nano-Mechanical Properties of Iron Borides FeB and Fe2B Formed in Fe-B-X (X = C, Cr, Mn, V, W, Mn + V) Alloys

et al. 2020

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In this study, the influence of alloying elements on the mechanical properties of iron borides FeB and Fe2B formed in Fe-B-X (X = C, Cr, Mn, V, W, Mn + V) alloys were evaluated using instrumented indentation measurement. The microstructural characterization of the alloys was performed by means of X-ray diffraction and scanning electron microscope equipped with an energy dispersive X-ray analyzer. The fraction of the phases present in the alloys was determined either by the lever rule or by image analysis. The hardest and stiffest FeB formed in Fe-B-X (X = C, Cr, Mn) alloys was observed in the Fe-B-Cr alloys, where indentation hardness of HIT = 26.9 ± 1.4 GPa and indentation modulus of EIT = 486 ± 22 GPa were determined. The highest hardness of Fe2B was determined in the presence of tungsten as an alloying element, HIT = 20.8 ± 0.9 GPa. The lowest indentation hardness is measured in manganese alloyed FeB and Fe2B. In both FeB and Fe2B, an indentation size effect was observed, showing a decrease of hardness with increasing indentation depth.

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Section: Hardness and Modulus Of Feb And Fe 2 B Boridessupporting

confidence: 84%

Section: Introductionmentioning

confidence: 99%

The Influence of the Third Element on Nano-Mechanical Properties of Iron Borides FeB and Fe2B Formed in Fe-B-X (X = C, Cr, Mn, V, W, Mn + V) Alloys

et al. 2020

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“…Traditionally, the elemental doping method is usually executed to ameliorate the mechanical properties of metallic materials as well as intermetallics (for instance carbides and borides) [ 25 , 26 , 27 , 28 , 29 , 30 ]. Jian et al [ 29 , 31 ] improved the fracture toughness of Fe 2 B without sacrificing the hardness by appropriate Cr or Mn addition.…”

Section: Introductionmentioning

confidence: 99%

Effects of Doped Elements (Si, Cr, W and Nb) on the Stability, Mechanical Properties and Electronic Structures of MoAlB Phase by the First-Principles Calculation

Jian

Huang

et al. 2020

Materials

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First-principles calculations based on density functional theory (DFT) have been performed to explore the effects of Si, Cr, W, and Nb elements on the stability, mechanical properties, and electronic structures of MoAlB ternary boride. The five crystals, with the formulas of Mo4Al4B4, Mo4Al3SiB4, Mo3CrAl4B4, Mo3WAl4B4, and Mo3NbAl4B4, have been respectively established. All the calculated crystals are thermodynamically stable, according to the negative cohesive energy and formation enthalpy. By the calculation of elastic constants, the mechanical moduli and ductility evolutions of MoAlB with elemental doping can be further estimated, with the aid of B/G and Poisson’s ratios. Si and W doping cannot only enhance the Young’s modulus of MoAlB, but also improve the ductility to some degree. Simultaneously, the elastic moduli of MoAlB are supposed to become more isotropic after Si and W addition. However, Cr and Nb doping plays a negative role in ameliorating the mechanical properties. Through the analysis of electronic structures and chemical bonding, the evolutions of chemical bondings can be disclosed with the addition of dopant. The enhancement of B-B, Al/Si-B, and Al/Si-Mo bondings takes place after Si substitution, and W addition apparently intensifies the bonding with B and Al. In this case, the strengthening of chemical bonding after Si and W doping exactly accounts for the improvement of mechanical properties of MoAlB. Additionally, Si doping can also improve the Debye temperature and melting point of the MoAlB crystal. Overall, Si element is predicted to be the optimized dopant to ameliorate the mechanical properties of MoAlB.

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“…Alloying is a direct and effective means to improve the properties of alloys [27]. In order to improve the toughness of HBCS, Cr, W, Cu, Ni, and other elements have been widely investigated [21,[28][29][30][31][32][33][34][35]. Ma [21] and Lentz [28] et al pointed out that with an increase of Cr, the morphology of Fe 2 B changes from a blocky shape to a rod-like shape.…”

Section: Introductionmentioning

confidence: 99%

“…Besides, hardness increases, and the fracture toughness increases firstly and then decreases. Wei et al [29] investigated the effect of alloying elements M (M = Ti, V, Cr, Mn, Co, Ni, and Cu) on the mechanical, electronic, and magnetic properties of Fe 2 B by first-principles calculation. They revealed that all the alloying elements except Mn can enhance the ductility of Fe 2 B. Yi et al [30,31] suggested that Cu and Ni are able to enhance the hardenability of the matrix, promote the formation of martensite, and improve the hardness and impact toughness of the alloy, but the excessive Cu will damage the hardness and wear resistance of the material due to the formation of pearlite.…”

Section: Introductionmentioning

confidence: 99%

Effect of Mo Concentration on the Microstructure Evolution and Properties of High Boron Cast Steel

et al. 2020

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The microstructure evolution, mechanical properties, and tribological properties of high boron cast steel (HBCS) with various Mo concentrations are investigated. The results indicate that Mo addition can significantly modify the microstructure and enhance the comprehensive properties. With the increase of Mo concentration, borides change from the original fish-bone Fe-rich and Cr-rich M2B to dendritic Fe-rich M2B, blocky and cluster-like Cr-rich M2B, and grainy Mo-rich M2B. The hardness of HBCS increases gradually with the increase of Mo content due to the solid solution strengthening and the refinement of M2B. It can be found that all the samples exhibit quasi-cleavage, but the impact toughness increases firstly and reaches the maximum value when the concentration of Mo is 2.10 wt.%, which is the result of the dispersive distribution of M2B rather than the original fish-bone M2B. Subsequently, the impact toughness begins to decrease as the concentration of Mo further increases because of the extensive formation of grainy Mo-rich M2B at the grain boundary. Meanwhile, the wear results reveal that the average friction coefficient and wear ratio decrease with the increase of Mo content, and the wear mechanism changes from abrasive wear and adhesive wear to abrasive wear when the concentration of Mo exceeds 2.10 wt.%.

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Effect of alloying elements on mechanical, electronic and magnetic properties of Fe2B by first-principles investigations

Cited by 26 publications

References 37 publications

The Influence of the Third Element on Nano-Mechanical Properties of Iron Borides FeB and Fe2B Formed in Fe-B-X (X = C, Cr, Mn, V, W, Mn + V) Alloys

The Influence of the Third Element on Nano-Mechanical Properties of Iron Borides FeB and Fe2B Formed in Fe-B-X (X = C, Cr, Mn, V, W, Mn + V) Alloys

Effects of Doped Elements (Si, Cr, W and Nb) on the Stability, Mechanical Properties and Electronic Structures of MoAlB Phase by the First-Principles Calculation

Effect of Mo Concentration on the Microstructure Evolution and Properties of High Boron Cast Steel

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