Corrosion Study of Fe in a Stagnant Liquid Pb by Molecular Dynamics Methods

Arkundato, Artoto; Abdullah, Mikrajudin; Su’ud, Zaki; Waris, Abdul

doi:10.1063/1.3462751

Cited by 7 publications

(10 citation statements)

References 2 publications

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“…In our current research we want to predict the percentage of injected oxygen for the most significant and efficient reduction of corrosion rate. This research is also the improvement of our previous research [12], where we have used new Lennard-Jones (LJ) potential parameters as reported by Zhen and Davies [13] and also using new model of simulation. To evaluate the corrosion we observed and analyze the diffusion coefficient of iron (steel cladding) in hot liquid-lead environment.…”

Section: Introductionmentioning

confidence: 99%

“…As previous simulation, we simulated the Fe-Pb-( By using (15) and (10) Fig. 9 shows the Fe diffusion coefficient before and after 1.00% oxygen injection, comparing (12) and (16 …”

Section: Fe Diffusion Coefficient With Oxygen Injection: Corrosionmentioning

confidence: 99%

“…For the O-O interaction we used the data as reported by Lemmon and Jacobsen [14]. Whereas for cross-interaction: Fe-Pb, Fe-O, Pb-O we approached the LJ parameters by using the popular Lorentz-Berthelot mixing rule [11]- [12],…”

Section: B Interatomic Potentialsmentioning

confidence: 99%

“…The diffusion coefficient calculation needs the mean square displacement (MSD) calculation as a part of Einstein relation for D coefficient. Then we also need to calculate the temperature dependence of diffusion coefficient D(T) by employing the popular Arrhenius formula [12]. The three important equations are:…”

Section: Hot Corrosion Mechanism and Properties Calculationmentioning

confidence: 99%

“…However they did not explore the thermodynamics properties of the corrosion and also did not study the corrosion reduction, yet. Authors had applied MD simulation method to calculate the diffusion coefficient of corrosion [12].…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Study of Liquid Lead Corrosion of Fast Nuclear Reactorand Its Mitigation by Using Molecular Dynamics Method

Arkundato¹,

Su’ud²,

Abdullah³

et al. 2013

IJAPM

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Abstract-Corrosion of iron in lead liquid coolant of fast nuclear reactor was studied using the molecular dynamics simulation method. The main goal of this work is to investigate effect of oxygen injection into lead coolant in order to reduce the corrosion rate of iron (major component of clad steel). By evaluating the mean square displacement curves, radial distribution function curves, iron diffusion coefficients and also observed the crystal structure of iron before and after oxygen injection then we concluded that the best value for significant, efficient and effective reduction of pure iron corrosion will be achieved by injection of 1.00% oxygen atoms (compared to the number of coolant atoms) into lead coolant, at temperature 750 oC. The corrosion rate had been reduced to the level of 2.09%, compared without oxygen injection.

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Section: Introductionmentioning

confidence: 99%

“…As previous simulation, we simulated the Fe-Pb-( By using (15) and (10) Fig. 9 shows the Fe diffusion coefficient before and after 1.00% oxygen injection, comparing (12) and (16 …”

Section: Fe Diffusion Coefficient With Oxygen Injection: Corrosionmentioning

confidence: 99%