Quantifying a two-mode phase-field crystal model for BCC metals at melting point

Asadi, Ebrahim; Zaeem, Mohsen Asle

doi:10.1016/j.commatsci.2015.03.051

Cited by 18 publications

(11 citation statements)

References 30 publications

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“…For fcc crystal structure, the free energy density in Eq. (7) [19], and it was showed that this model is more accurate quantitatively than previous results [19]. Therefore M2PFC not only gives stable fcc and co-existence between bcc and fcc, but also it gives better quantitative results.…”

Section: Phase Diagram Calculationsmentioning

confidence: 67%

Revisiting phase diagrams of two-mode phase-field crystal models

Emdadi

Zaeem

Asadi

2016

Computational Materials Science

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In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this study the modified two-mode PFC model (presented by E. Asadi and M. Asle Zaeem, Comput. Mater. Sci. 2015) was used, in which the free energy can be exactly minimized in each stable crystal structure allowing calculation of accurate phase diagrams for two-mode PFC models. Different crystal structures, such as square, triangle, body-centered cubic (bcc), face-centered cubic (fcc), and stripe lattice structures as well as their coexistence regions were considered in the calculations. The model parameters were discussed to calculate phase diagrams that can be used as a guideline by other researchers for studying solidification and solid state phase transformation using two-mode PFC model.

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Section: Phase Diagram Calculationsmentioning

confidence: 67%

Revisiting phase diagrams of two-mode phase-field crystal models

Emdadi

Zaeem

Asadi

2016

Computational Materials Science

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“…These results for Fe is presented in the companion paper of this article (Ref. [26]), and the results for Ni, Cu, and Al will be presented elsewhere.…”

Section: Introductionmentioning

confidence: 67%

A modified two-mode phase-field crystal model applied to face-centered cubic and body-centered cubic orderings

Asadi

Zaeem

2015

Computational Materials Science

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“…These constants can be determined by matching the model's behaviour to the thermodynamic and material properties of an experimental system. This can be done, for instance, by following an analogous approach to that of Asadi & Zaeem [42], which matches the parameters of a PFC model of a pure material to the elastic constants, solid-liquid coexistence densities, density expansion and compressibility of Fe. For an alloy system, we require the additional properties, including the determination of density expansion and coexistence densities associated with the liquid-vapour and solid-vapour phase changes, all of which vary with c. These can be uniquely determined by exploiting the larger parameter set associated with the present model.…”

Section: (B) Thermodynamic Propertiesmentioning

confidence: 99%

A phase-field-crystal alloy model for late-stage solidification studies involving the interaction of solid, liquid and gas phases

Wang¹,

Kocher²,

Provatas³

2018

Phil. Trans. R. Soc. A.

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We present a multiphase binary alloy phase-field-crystal model. By introducing density difference between solid and liquid into a previous alloy model, this new fusion leads to a practical tool that can be used to investigate formation of defects in late-stage alloy solidification. It is shown that this model can qualitatively capture the liquid pressure drop due to solidification shrinkage in confined geometry. With an inherited gas phase from a previous multiphase model, cavitation of liquid from shrinkage-induced pressure is also included in this framework. As a unique model that has both solute concentration and pressure-induced liquid cavitation, it also captures a modified Scheil-Gulliver-type segregation behaviour due to cavitation. Simulation of inter-dendritic channel solidification using this model demonstrates a strong cooling rate dependence of the resulting microstructure.This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'.

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Quantifying a two-mode phase-field crystal model for BCC metals at melting point

Cited by 18 publications

References 30 publications

Revisiting phase diagrams of two-mode phase-field crystal models

Revisiting phase diagrams of two-mode phase-field crystal models

A modified two-mode phase-field crystal model applied to face-centered cubic and body-centered cubic orderings

A phase-field-crystal alloy model for late-stage solidification studies involving the interaction of solid, liquid and gas phases

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