Strengthening due to coherent Cr precipitates in Fe–Cr alloys: Atomistic simulations and theoretical models

Terentyev, D.; Bonny, G.; Malerba, Lorenzo

doi:10.1016/j.actamat.2008.03.004

Cited by 91 publications

(50 citation statements)

References 17 publications

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“…1, these data are reproduced together with the resistance of Cr precipitates s Cr for comparison. ASs used to compute s Cr have been reported by Terenteyev et al [33,34]. Four important remarks can be already made from the figure: (i) for sufficiently large defects (say larger than 1.5 nm), the resistance stress s obs is independent of the defect size; (ii) the resistance of voids (4.8 GPa) is much larger than those of Cu (2.4 GPa) and Cr precipitates (2.1 GPa); (iii) small defects (less than 1.5 nm) systematically offer less resistance than large ones and (iv) the obstacle resistance is independent of the dislocation length.…”

Section: From Atomistic Simulations To Dislocation Dynamicsmentioning

confidence: 99%

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Multiscale modeling of precipitation hardening: Application to the Fe–Cr alloys

Monnet

2015

Acta Materialia

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Section: From Atomistic Simulations To Dislocation Dynamicsmentioning

confidence: 99%

“…MD simulations reveal a temperature effect on the unpinning stress of Cr precipitates [33,34]. The determination of the corresponding activation energy DG allows accounting for thermal activation at larger scale simulations, such as DD simulations [26] and constant line tension simulations [38].…”

Section: Determination Of the Activation Energymentioning

confidence: 99%

Multiscale modeling of precipitation hardening: Application to the Fe–Cr alloys

Monnet

2015

Acta Materialia

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“…Details regarding the calculations can be found in Ref. [59], where the interaction of an edge dislocation with Cr precipitates was characterized. From Table 2 it appears that the two Fe potentials provide very similar results, whereas the Cr potentials exhibit at least two essential differences.…”

Section: Dislocation-precipitate Interactionmentioning

confidence: 99%

Iron chromium potential to model high-chromium ferritic alloys

Bonny

Pasianot²,

Terentyev

et al. 2011

Philosophical Magazine

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104

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International audienceIn this paper we present a Fe-Cr interatomic potential to model high-Cr ferritic steels. The potential is fitted to thermodynamic and point-defect properties obtained from density functional theory (DFT) calculations and experiments. The here developed potential is also benchmarked against other potentials available in literature. It shows particularly good agreement with the DFT obtained mixing enthalpy of the random alloy, the formation energy of intermetallics and experimental excess vibrational entropy and phase diagram. Also DFT calculated point-defect properties, both interstitial and substitutional, are well reproduced as is the screw dislocation core structure. As a first validation of the potential we study the precipitation hardening of Fe-Cr alloys by means of static simulations of the interaction between Cr precipitates and screw dislocations. It is concluded that the description of the dislocation core modification near a precipitate might have a significant influence on the interaction mechanisms observed in dynamic simulations

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“…Nevertheless, the mechanical properties can be reduced in Fe-Cr alloys because of heating at temperatures between 280 and 500 °C even for short times. This phenomenon is known as 475 °C-embrittlement and it has been associated with the phase decomposition of the Fe-Cr solid solution into a mixture of bcc Fe-rich (α) and Cr-rich (α´) phases via either the nucleation and growth or spinodal decomposition mechanisms during aging at these temperatures (La Salle and Schwartz, 1986;Terentyev et al, 2008;Tomoaki et al, 2015).…”

Section: Introductionmentioning

confidence: 99%

Análisis de la descomposición espinodal en aleaciones Fe-32 y 40 %at. Cr utilizando el método de campo de fases basado en las ecuaciones lineal y no lineal de Cahn y Hilliard

et al. 2016

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Spinodal decomposition was studied during aging of Fe-Cr alloys by means of the numerical solution of the linear and nonlinear Cahn-Hilliard differential partial equations using the explicit finite difference method. Results of the numerical simulation permitted to describe appropriately the mechanism, morphology and kinetics of phase decomposition during the isothermal aging of these alloys. The growth kinetics of phase decomposition was observed to occur very slowly during the early stages of aging and it increased considerably as the aging progressed. The nonlinear equation was observed to be more suitable for describing the early stages of spinodal decomposition than the linear one. RESUMEN: Análisis de la descomposición espinodal en aleaciones Fe-32 y 40 %at. Cr utilizando el método de campo de fases basado en las ecuaciones lineal y no lineal de Cahn y Hilliard.La descomposición espinodal se estudió durante el envejecido de aleaciones Fe-Cr mediante la solución numérica de las ecuaciones diferenciales parciales lineal y no linear de Cahn y Hilliard usando el método de diferencias finito explícito. Los resultados de la simulación numérica permitieron describir apropiadamente el mecanismo, morfología y cinética de la descomposición de fases durante el envejecido isotérmico de estas aleaciones. La cinética de crecimiento de la descomposición de fases ocurrió muy lentamente durante las primeras etapas de envejecido, y se incrementó considerablemente con el tiempo de envejecido. La ecuación no lineal parece ser más apropiada para describir las primeras etapas de la descomposición espinodal que la ecuación lineal.

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Strengthening due to coherent Cr precipitates in Fe–Cr alloys: Atomistic simulations and theoretical models

Cited by 91 publications

References 17 publications

Multiscale modeling of precipitation hardening: Application to the Fe–Cr alloys

Multiscale modeling of precipitation hardening: Application to the Fe–Cr alloys

Iron chromium potential to model high-chromium ferritic alloys

Análisis de la descomposición espinodal en aleaciones Fe-32 y 40 %at. Cr utilizando el método de campo de fases basado en las ecuaciones lineal y no lineal de Cahn y Hilliard

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