The influence of the ferromagnetic transition on self-diffusion in B.C.C. FeSi

Mirani, H. V. M.; Harthoorn, R.; Zuurendonk, T. J.; Helmerhorst, S. J.; Vries, G. de

doi:10.1002/pssa.2210290113

Cited by 33 publications

(8 citation statements)

References 28 publications

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“…Nevertheless, in the above three studies, the range of temper atures studied are higher than the T c , and hence, the migration enthalpy and prefactors for diffusivities obtained were most likely for αFe-Si alloys in the paramagn etic state [21]. The effect of magnetic phase trans ition on the Sidiffusivity was reported by Oviedo de González et al [62] and Mirani et al [63]. In another study, Bergner et al [64] measured Si diffusivities in the paramagnetic α and γ-Fe.…”

Section: Si and Fe Diffusion In α-Fe-si Alloysmentioning

confidence: 88%

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagneticα-Fe–Si alloys

Nandipati

Jiang²,

Vemuri³

et al. 2017

J. Phys.: Condens. Matter

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Diffusion of Si atom and vacancy in the A2-phase of α-Fe-Si alloys in the ferromagnetic state, with and without magnetic order and in various temperature ranges, are studied using AKSOME, an on-lattice self-learning KMC code. Diffusion of the Si atom and the vacancy are studied in the dilute limit and up to 12 at.% Si, respectively, in the temperature range 350-700 K. Local Si neighborhood dependent activation energies for vacancy hops were calculated on-the-fly using a broken-bond model based on pairwise interaction. The migration barrier and prefactor for the Si diffusion in the dilute limit were obtained and found to agree with published data within the limits of uncertainty. Simulations results show that the prefactor and the migration barrier for the Si diffusion are approximately an order of magnitude higher, and a tenth of an electron-volt higher, respectively, in the magnetic disordered state than in the fully ordered state. However, the net result is that magnetic disorder does not have a significant effect on Si diffusivity within the range of parameters studied in this work. Nevertheless, with increasing temperature, the magnetic disorder increases and its effect on the Si diffusivity also increases. In the case of vacancy diffusion, with increasing Si concentration, its diffusion prefactor decreases while the migration barrier more or less remained constant and the effect of magnetic disorder increases with Si concentration. Important vacancy-Si/Fe atom exchange processes and their activation barriers were identified, and the effect of energetics on ordered phase formation in Fe-Si alloys are discussed.

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Section: Si and Fe Diffusion In α-Fe-si Alloysmentioning

confidence: 88%

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagneticα-Fe–Si alloys

Nandipati

Jiang²,

Vemuri³

et al. 2017

J. Phys.: Condens. Matter

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“…• Diffusion of carbon in γ-Fe [15] in the system Fe-C in the range of compositions of 0.2 to 1.6 wt% of carbon and temperatures between 1023 K to 1573 K and • Tracer diffusion coefficients of Fe in γ-Fe [16] for the system Fe-4.0 wt% Si at temperatures between 770 K and 1430 K. The literature reported good agreement for the diffusivity of carbon in γ-Fe [17], in contrast, the comparison of tracer diffusion coefficients of Fe in γ-Fe are not nearly as good compared with the diffusion of metals [18]. It was observed a lack of information related to diffusion coefficients for the ternary Fe-C-Si system.…”

Section: Results and Analysismentioning

confidence: 99%

Comparison of solidification behavior between in situ observation and simulation of Fe–C–Si system

Henao

Sugiyama

Nogita

2014

Journal of Alloys and Compounds

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Please cite this article as: H.M. Henao, A. Sugiyama, K. Nogita, Comparison of solidification behavior between insitu observation and simulation of Fe-C-Si system, (2014), doi: http://dx.doi.org/10. 1016/j.jallcom.2014.05.184 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Key words: metals and alloys; crystal growth; kinetics; computer simulations; synchrotron radiation Comparison of solidification behavior between in-situ observation and simulation of Fe-C-Si system AbstractOver the last few years, important advances have been made in the understanding and modelling of phase transformations of metallic alloys including a) the coupling of phase equilibria and kinetics for computerised simulation of multicomponent alloys and b) in-situ time resolved X-ray imaging of phase transformations in real time. Both techniques can be complementary. However the quality of the simulation relies to a large extent on the accuracy of phase equilibria and diffusion data obtained from existing experimental studies. In-situ Xray techniques provide quantitative information on the evolution and proportion of phases, and can validate the thermodynamic/kinetic packages. This validation in-turn improves the computational models and databases. In the present work, the phase transformation in the Fe-C-Si system from liquid to γ-Fe and the reaction liquid↔γ-Fe+Cementite was observed by using X-ray imaging at SPring-8 synchrotron. The relationship between fraction solid and temperature was obtained from the generated SPring-8 images. The results are compared with computer simulation using Thermo-Calc. and DICTRA. A critical analysis compares the results of the simulation with the real-time observations of the phase transformation.

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“…[17] 6. [20] o [18] G [21] @ [22] 'V [23] at 1073K In case of Ni siliconization using the molten salt [7],~ NjjSi and y-Ni5Sb were formed near the substrate and the surface, respectively. Gay and Quakemaat [7] proposed the subsequent annealing after dipping to transform y-Ni5Sb into~-NbSi single phase.…”

Section: Ks 36 Ksmentioning

confidence: 99%

Electroless coating of Fe₃Si on steel in the molten salt

Suzuki¹,

Nishibata²,

Nakanishi³

et al. 2000

Steel Research

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The corrosion‐resistive intermetallic compound Fe3Si could non‐electrolytically coat pure iron and mild steel. The disproportional reaction between Si and Si4+ ions deposited the homogeneous Fe3Si layer on the Fe substrates, by using solid silicon and the molten salt composed of NaCl‐KCl‐NaF‐Na2SiF6‐SiO2. SiF4 gas evaporation prevented from continuous siliconization, when only Na2SiF6 was used as Si4+ ion source. By adding SiO2 into the salt as another source, the molten salt became endurable for repeated usage in air. The layer of Fe3Si single phase with silicon mole fractions of 24 ± 1 % grew thicker than 200 μm by immersing for a few hours at 973 – 1173K.

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The influence of the ferromagnetic transition on self-diffusion in B.C.C. FeSi

Cited by 33 publications

References 28 publications

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagneticα-Fe–Si alloys

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagneticα-Fe–Si alloys

Comparison of solidification behavior between in situ observation and simulation of Fe–C–Si system

Electroless coating of Fe₃Si on steel in the molten salt

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The influence of the ferromagnetic transition on self-diffusion in B.C.C. FeSi

Cited by 33 publications

References 28 publications

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagneticα-Fe–Si alloys

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagneticα-Fe–Si alloys

Comparison of solidification behavior between in situ observation and simulation of Fe–C–Si system

Electroless coating of Fe3Si on steel in the molten salt

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Product

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Electroless coating of Fe₃Si on steel in the molten salt