Inhibition of iron corrosion in high temperature stagnant liquid lead: A molecular dynamics study

Arkundato, Artoto; Su’ud, Zaki; Abdullah, Mikrajuddin; Sutrisno, Widayani; Celino, Massimo

doi:10.1016/j.anucene.2013.06.004

Cited by 23 publications

(13 citation statements)

References 18 publications

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“…Molecular dynamics simulations predict the physical quantities of interactions at the atomic or molecular level based on the designed material model and based on the input simulation data given [17]. The research method used in this research is the classical molecular dynamics method, which can solve or find solutions to Newton's equations of motion using a potential function by the results of the atomic trajectory solution, which in this study is based on Morse's potential.…”

Section: Molecular Dynamics Methodsmentioning

confidence: 99%

Young’s Modulus Calculation of Some Metals Using Molecular Dynamics Method Based on the Morse Potential

Zahroh

Sugihartono

Safitri

2019

CERiMRE

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It has been investigated computationally Young's modulus of some metals: nickel, copper, silver, gold, and aluminum. The offset method can graphically determine Young's modulus property by determining the elastic region based on the straight line intersection formed at a 0.2% strain against the stress-strain curve. In this simulation work, Young’s modulus calculation was performed by using the LAMMPS molecular dynamics software. The interatomic potential used to represent the interactions among atoms of materials in this simulation is the Morse potential. The metals under-investigated in this work are nickel, copper, silver, gold, and aluminum, and we got the results are 209.2 GPa, 110.8 GPa, 83.8 GPa, 79.2 GPa, and 70.3 GPa, respectively. The Young's modulus of the materials was also computed as temperature variations from 300K to the melting point to determine the effect of temperature on Young's modulus, and it is tensile strength. From our work we can found that the higher the temperature, the lower Young's modulus value. In addition, it can be seen that nickel metal has good temperature resistance. This is evidenced by the change in the nickel-metal phase near its melting point.

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Section: Molecular Dynamics Methodsmentioning

confidence: 99%

Young’s Modulus Calculation of Some Metals Using Molecular Dynamics Method Based on the Morse Potential

Zahroh

Sugihartono

Safitri

2019

CERiMRE

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“…The LJ potential has been extensively used for the Fe-O interactions in earlier works. [45][46][47] Thus, in this work the LJ potential was employed for the Fe-O and Fe-C interactions. The LJ potential is given by…”

Section: Computational Detailsmentioning

confidence: 99%

Molecular Dynamics Simulations of Iron/Graphite Interfacial Behaviors: Influence of Oxygen

Yin

Shen

et al. 2018

ISIJ International

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“…What matters is whether we have sufficient potential energy data to describe the interactions between the atoms of the material system. Arkundato et al has used the molecular dynamics methods to investigate liquid lead coolant [3,4]. In this research, we will use the Morse potential.…”

Section: Theorymentioning

confidence: 99%

Density of Liquid Lead as Function of Temperature and Pressure Based on the Molecular Dynamics Method

Imanullah

Arkundato

Purwandari

2018

CERiMRE

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Simulation research has been carried out to obtain the formula for mass density of liquid lead as a function of temperature and pressure. The simulation method used is the molecular dynamics method. The potential energy used in the simulation is the Morse potential. From the simulation, it is found that the relationship between the mass density of liquid lead and temperature and pressure can be expressed in the equation pPb = 11233 - 0,9217 x T for pressure 1 – 5 atm and pPb = 11233 x 0,9213 x T for pressure 7 atm in units kg/m.

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Inhibition of iron corrosion in high temperature stagnant liquid lead: A molecular dynamics study

Cited by 23 publications

References 18 publications

Young’s Modulus Calculation of Some Metals Using Molecular Dynamics Method Based on the Morse Potential

Young’s Modulus Calculation of Some Metals Using Molecular Dynamics Method Based on the Morse Potential

Molecular Dynamics Simulations of Iron/Graphite Interfacial Behaviors: Influence of Oxygen

Density of Liquid Lead as Function of Temperature and Pressure Based on the Molecular Dynamics Method

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