Experimental investigation and thermodynamic modeling of the Mn–Ni–Si system

Hu, Biao; Xu, Honghui; Liu, Shuhong; Du, Yong; He, Chaohui; Sha, Chunsheng; Zhao, Dongdong; Peng, Yingbiao

doi:10.1016/j.calphad.2011.05.001

Cited by 26 publications

(22 citation statements)

References 19 publications

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“…The TCAL2 database predicts that there are two intermetallic phases at equilibrium at around 300°C: the T3 or G-phase, (Mn 6 Ni 16 Si 7 ); and the T6 or G 2 phase, (Mn(Ni,Si) 2 ). Their respective crystal structures are shown in Table 5 [75,76]. Figure 2a shows that the predicted kinetic Monte Carlo studies arguing that MNSPs must be irradiation induced [30,31,77].…”

Section: Fe-mn-ni-si System Thermodynamics At ≈ 300°cmentioning

confidence: 95%

Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

Ke¹,

Wells²,

Edmondson³

et al. 2017

Acta Materialia

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Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low-Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion kinetics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, where the latter occurs on cascade damage, like dislocation loops. The model has only four adjustable parameters that were fit to an atom probe tomography (APT) database. The model predictions are in semi-quantitative agreement with systematic Mn, Ni and Si composition variations in alloys characterized by APT, including a sensitivity to local tip-to-tip variations even in the same steel. The model predicts that 1 Notice of Copyright This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).recognized that the copper rich precipitates (CRPs) are highly alloyed with Mn and Ni [10,11].Mn-Ni synergisms rationalized the strong effects of the alloying element Ni, as well as Cu, on hardening and embrittlement [12]. In the early 1990s Odette and coworkers carried out CALPHAD [10] based thermodynamic calculations, suggesting that Mn-Ni precipitates could form even in low Cu steels, which would otherwise be relatively insensitive to embrittlement.The Mn-Ni precipitates were predicted to be slow to nucleate and grow, thus they were dubbed late blooming phases (LBP) at that time.These models equilibrated Mn, Ni and Cu in solution with these solutes in a specified number density of CRPs and included the effects of composition on the interface energy [10]. At sufficiently high Ni and at lower temperatures, the precipitates contain more Mn and Ni than Cu.This mean-field thermodynamic modeling was later extended to include Si in Lattice Monte Carlo (LMC) simulations, based on pair-bond energy estimates extracted from CALPHAD, that predicted Cu-rich core and Mn-Ni-Si-rich shell precipitate structures [12]. Such core shell structures were also observed in atom probe tomography studies [15][16][17][18]. The early models predicted that low irradiation temperatures, high Ni and even small amounts of Cu enhance the formation of Mn-Ni and MNSPs. It was also...

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Section: Fe-mn-ni-si System Thermodynamics At ≈ 300°cmentioning

confidence: 95%

Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

Ke¹,

Wells²,

Edmondson³

et al. 2017

Acta Materialia

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“…It is based on a simplified thermodynamic treatment to avoid the efforts required to build a complete multicomponent Mn-Ni-Si-Fe database. The UW1 database combines previously established Mn-Ni-Si intermetallic phase descriptions [15] and the corresponding thermodynamics of dilute solid solution bcc Fe-X binaries (X= Mn, Ni, Si), also obtained from CALPHAD models [16][17][18]. The second database is the commercial TCAL2 database [19], implemented in the Thermo-Calc software package.…”

mentioning

confidence: 99%

“…There are 12 known ternary phases in the Mn-Ni-Si system, which are all included in the UW1 database as potential precipitates. The CALPHAD-type thermodynamic parameters of these phases are directly taken from the descriptions published by Hu et al [15]. We consider a temperature of 550K, which is relevant for RPV operating conditions and close to the Note that, as discussed above, the Cu content of the precipitates is not modeled as we believe it does not impact the final precipitate mole fraction, phase selection, or composition.…”

mentioning

confidence: 99%

Thermodynamic models of low-temperature Mn-Ni-Si precipitation in reactor pressure vessel steels

Xiong

Krishnamurthy

et al. 2014

MRS Communications

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“…To the best of our knowledge, thermodynamic descriptions for the Bi-M (M = Ti, Cr, V) systems are not available up to now. Since thermodynamic descriptions for binary subsystems are prerequisites for the development of a multi-component Al-base thermodynamic database [8][9][10][11][12], the present work is devoted to provide a set of self-consistent thermodynamic parameters for each of these binary systems by means of CALPHD method and flrst-principles calculations.…”

Section: Introduction 'mentioning

confidence: 99%

Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems

Cao

Xin

Chen

et al. 2013

J min metall B Metall

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The Bi-M (M = Ti, Cr, V) systems have been critically reviewed and modeled by means of the CALPHAD technique. All the intermetallics (BiTiy BiTi,, Bi^Ti^, Bi^Ti, and BiJ'i) were treated as stoichiometric compounds. The enthalpy of"formation at 0 Kfor BiTi, was computed via first-principles calculations to assist the thermodynamic modeling. The gas phases for the Bi-Cr and Bi-V systems were treated as ideal gas. A set of self consistent thermodynamic parameters has been finally obtained for each of these binary systems. Comparisons between tiie calculated and measured phase diagrams as well as first-principles calculations show that most of experimental data can be satisfactorily reproduced by the present thermodynamic descriptions.

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Experimental investigation and thermodynamic modeling of the Mn–Ni–Si system

Cited by 26 publications

References 19 publications

Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

Thermodynamic models of low-temperature Mn-Ni-Si precipitation in reactor pressure vessel steels

Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems

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