Structural, mechanical and thermodynamical properties of silver amalgam filler: A Monte Carlo simulation study

Ghatee, Mohammad Hadi; Karimi, Hedayat; Shekoohi, Khadijeh

doi:10.1016/j.molliq.2015.06.062

Cited by 9 publications

(5 citation statements)

References 54 publications

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“…There are several effective pair potentials between the constituent atoms in liquid metals. 19,20,[43][44][45][46] Some of pair potentials have been theoretically proposed, whereas the pair potentials obtained by Waseda et al have been experimentally determined. Hence, the pair potentials obtained by Waseda et al contains the real liquid metal conditions and properties.…”

Section: Pair Potentialsmentioning

confidence: 99%

Interaction between the substrate and probe in liquid metal Ga: experimental and theoretical analysis

Amano,

Tozawa,

Tomita

et al. 2023

RSC Adv.

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Section: Pair Potentialsmentioning

confidence: 99%

Interaction between the substrate and probe in liquid metal Ga: experimental and theoretical analysis

Amano,

Tozawa,

Tomita

et al. 2023

RSC Adv.

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“…Change in structure of the expanded elemental liquid Hg, is depicted by the first coordination shell (Z) or liquid microstructure , that it estimated using integration on pair correlation function [34,35] as;…”

Section: Statics Properties Changementioning

confidence: 99%

Computer Simulation And Modeling The Metal To Insulating Transition Of Liquid Mercury Via Pair, Empirical And Many-Body Potentials

Karimi

2022

Preprint

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In this study Monte Carlo statistical mechanics simulations were carried out to detect the metal insulator transition in of expanded liquid mercury by changing the static properties at microscopic scale. In the simulations pair, empirical, and many- body potentials governs metal–metal interactions in the canonical ensemble. Changes in structure are described in first coordination shell, while the thermodynamic properties in terms of residual internal energy, in wide of temperature range from 773 K to 1773 K. The results, reveal that the properties undergo significantly change at 1673 K, during the simulated heating process, which is in connection with the metal nonmetal transition in the liquid. The findings coincide with the experimental observation of this thermodynamics phenomenon. Notably, free energy of association that renders the system to this thermodynamic state is estimated.

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“…The structural change of liquid Hg, is depicted by the rst coordination shell (Z) or liquid microstructure, that it estimated using integration on pair correlation function, g(r), [34,35] as;…”

Section: Statics Properties Changementioning

confidence: 99%

Computer simulation and modeling the metal to insulating transition of liquid mercury via pair, empirical, and many-body potentials

Karimi

2022

J Mol Model

Self Cite

View full text Add to dashboard Cite

In this study Monte Carlo simulations were carried out to detect the metal insulator transition in liquid mercury by changing the static properties at microscopic scale. In the simulations pair, empirical, and many-body potentials governs metal-metal interactions in the canonical ensemble. The structural and thermodynamic changes over the wide of temperature range from 773 to 1773 K are described in the rst coordination shell and residual internal energy, respectively. The results reveal that during the simulated heating process the properties undergo signi cantly change at 1673 K, which is in connection with the metal nonmetal transition in the liquid. These ndings coincide with the experimental observations of this thermodynamic phenomenon. Notably, the free energy of association that renders the system to this thermodynamic state is estimated.

show abstract

Structural, mechanical and thermodynamical properties of silver amalgam filler: A Monte Carlo simulation study

Cited by 9 publications

References 54 publications

Interaction between the substrate and probe in liquid metal Ga: experimental and theoretical analysis

Interaction between the substrate and probe in liquid metal Ga: experimental and theoretical analysis

Computer Simulation And Modeling The Metal To Insulating Transition Of Liquid Mercury Via Pair, Empirical And Many-Body Potentials

Computer simulation and modeling the metal to insulating transition of liquid mercury via pair, empirical, and many-body potentials

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