Liquid Structure and Thermophysical Properties of Ternary Ni-Fe-Co Alloys Explored by Molecular Dynamics Simulations and Electrostatic Levitation Experiments

Jinghui, Zhao; Wang, H.P.; Zou, Peng; Zheng, Chenhui; Lin, M.J.; Hu, L.; Wei, B.

doi:10.1007/s11661-021-06185-w

Cited by 7 publications

(2 citation statements)

References 64 publications

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“…(2) Self-diffusion coefficient The diffusivity plays an important role in determining the growth kinetics. The self-diffusion coefficient D can be calculated by using MD simulations from mean-squared displacement (MSD) [27][28][29][30] which is defined as…”

Section: Dynamic Properties (1) Surface Tension and Shear Viscositymentioning

confidence: 99%

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Metastable liquid properties and rapid crystal growth of Ti-Ni-Al alloy investigated by electrostatic levitation and molecular dynamics simulation

Xiao

Ruan

Lin

et al. 2021

Sci. China Technol. Sci.

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Electrostatic levitation technique and molecular dynamics simulation were performed to investigate the thermophysical properties, liquid structure and crystal growth dependence on undercooling of Ti 85 Ni 10 Al 5 alloy. The liquid Ti 85 Ni 10 Al 5 alloy was substantially undercooled up to 335 K (0.18T L ). As undercooling increased, the potential energy of the liquid alloy decreased and the alloy entered into a high metastable state. At this state, the atoms tended to bond with each other and the clusters were inclined to convert into high-coordinated clusters, as confirmed by the fraction of the high-coordinated clusters variation. The enlarged clusters and enhanced local structure stability contributed to the increase of the thermophysical parameters and crystal growth velocity, and eventually dendrite refinement. The density, the specific heat and the surface tension of liquid alloy exhibited a linear relation with temperature and the shear viscosity of liquid alloy showed exponential variation which showed good agreement with the calculation results by molecular dynamics simulation. The growth velocity first increased slowly and then dramatically once the undercooling exceeded the threshold. The achieved maximum crystal growth velocity was 12.4 m s −1 and it was up to 326 times of the value at 94 K undercooling.

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Section: Dynamic Properties (1) Surface Tension and Shear Viscositymentioning

confidence: 99%

“…In order to achieve the liquid structure information of the Ti 85 Ni 10 Al 5 alloy, the pair distribution function, g(r), is applied by the following expression [29,30]:…”

Section: Liquid Structure Of Metastable Liquid Alloymentioning

confidence: 99%

Metastable liquid properties and rapid crystal growth of Ti-Ni-Al alloy investigated by electrostatic levitation and molecular dynamics simulation

Xiao

Ruan

Lin

et al. 2021

Sci. China Technol. Sci.

View full text Add to dashboard Cite

show abstract

Experimental Explorations and Lattice-Boltzmann Simulations for Macrosegregation Evolution Kinetics of Glass-Fluxed Immiscible Alloys

Zhu

et al. 2022

Metall Mater Trans A

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A kinetic transition from peritectic crystallization to amorphous solidification of rapidly quenched refractory Nb-Ni alloy

Jinghui

Wang

et al. 2022

Acta Materialia

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Liquid Structure and Thermophysical Properties of Ternary Ni-Fe-Co Alloys Explored by Molecular Dynamics Simulations and Electrostatic Levitation Experiments

Cited by 7 publications

References 64 publications

Metastable liquid properties and rapid crystal growth of Ti-Ni-Al alloy investigated by electrostatic levitation and molecular dynamics simulation

Metastable liquid properties and rapid crystal growth of Ti-Ni-Al alloy investigated by electrostatic levitation and molecular dynamics simulation

Experimental Explorations and Lattice-Boltzmann Simulations for Macrosegregation Evolution Kinetics of Glass-Fluxed Immiscible Alloys

A kinetic transition from peritectic crystallization to amorphous solidification of rapidly quenched refractory Nb-Ni alloy

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