Calculating the role of composition in the anisotropy of solid-liquid interface energy using phase-field-crystal theory

2015 ◽  
Vol 92 (4) ◽  
Author(s):  
Bernadine A. Jugdutt ◽  
Nana Ofori-Opoku ◽  
Nikolas Provatas
Keyword(s):  
Phase Field ◽  
Interface Energy ◽  
Liquid Interface ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Phase Field Crystal

Phase-Field Microstructure Solidification of Al–2 wt% Si Alloys

2019 ◽  
Vol 142 (1) ◽  
Author(s):  
J. B. Allen
Keyword(s):  
Directional Solidification ◽  
Phase Field ◽  
Maximum Concentration ◽  
Dendritic Growth ◽  
Interface Energy ◽  
Liquid Interface ◽  
Two Dimensional ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Dilute Alloy

In this work, we develop one- and two-dimensional phase-field simulations to approximate dendritic growth of a binary Al–2 wt% Si alloy. Simulations are performed for both isothermal as well as directional solidification. Anisotropic interface energies are included with fourfold symmetries, and the dilute alloy assumption is imposed. The isothermal results confirm the decrease in the maximum concentration for larger interface velocities as well as reveal the presence of parabolic, dendrite tips evolving along directions of maximum interface energy. The directional solidification results further confirm the formation of distinctive secondary dendritic arm structures that evolve at regular intervals along the unstable solid/liquid interface.

scholarly journals Numerical Phase-Field Model Validation for Dissolution of Minerals

2021 ◽  
Vol 11 (6) ◽  
pp. 2464
Author(s):  
Sha Yang ◽  
Neven Ukrainczyk ◽  
Antonio Caggiano ◽  
Eddie Koenders
Keyword(s):  
Phase Field ◽  
Liquid Interface ◽  
Mineral Dissolution ◽  
Experimental Results ◽  
Wide Range ◽  
Congruent Dissolution ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Dissolution Of Minerals ◽  
Meso Scale

Modelling of a mineral dissolution front propagation is of interest in a wide range of scientific and engineering fields. The dissolution of minerals often involves complex physico-chemical processes at the solid–liquid interface (at nano-scale), which at the micro-to-meso-scale can be simplified to the problem of continuously moving boundaries. In this work, we studied the diffusion-controlled congruent dissolution of minerals from a meso-scale phase transition perspective. The dynamic evolution of the solid–liquid interface, during the dissolution process, is numerically simulated by employing the Finite Element Method (FEM) and using the phase–field (PF) approach, the latter implemented in the open-source Multiphysics Object Oriented Simulation Environment (MOOSE). The parameterization of the PF numerical approach is discussed in detail and validated against the experimental results for a congruent dissolution case of NaCl (taken from literature) as well as on analytical models for simple geometries. In addition, the effect of the shape of a dissolving mineral particle was analysed, thus demonstrating that the PF approach is suitable for simulating the mesoscopic morphological evolution of arbitrary geometries. Finally, the comparison of the PF method with experimental results demonstrated the importance of the dissolution rate mechanisms, which can be controlled by the interface reaction rate or by the diffusive transport mechanism.

Role of the solid/liquid interface faceting in rapid penetration of a liquid phase along grain boundaries

2001 ◽  
Vol 49 (7) ◽  
pp. 1123-1128 ◽  
Author(s):  
D. Chatain ◽  
E. Rabkin ◽  
J. Derenne ◽  
J. Bernardini
Keyword(s):  
Liquid Phase ◽  
Grain Boundaries ◽  
Liquid Interface ◽  
Solid Liquid Interface ◽  
Solid Liquid

Estimation of the solid-liquid interface energy for metal elements

2019 ◽  
Vol 170 ◽  
pp. 109174 ◽  
Author(s):  
Xiaobao Jiang ◽  
Beibei Xiao ◽  
Rui Lan ◽  
Xiaoyan Gu ◽  
Xinghua Zhang ◽  
...  
Keyword(s):  
Interface Energy ◽  
Liquid Interface ◽  
Metal Elements ◽  
Solid Liquid Interface ◽  
Solid Liquid

Synthesis of Cyclic Carbonates: Catalysis by an Iron-Based Composite and the Role of Hydrogen Bonding at the Solid/Liquid Interface

ChemSusChem ◽  
2012 ◽  
Vol 5 (4) ◽  
pp. 652-655 ◽  
Author(s):  
Jin Qu ◽  
Chang-Yan Cao ◽  
Zhi-Feng Dou ◽  
Hua Liu ◽  
Yu Yu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Liquid Interface ◽  
Cyclic Carbonates ◽  
Iron Based ◽  
Solid Liquid Interface ◽  
Solid Liquid

Solid-Liquid Interface Energy between Silicon Crystal and Silicon-Aluminum Melt

2010 ◽  
Vol 41 (7) ◽  
pp. 1826-1835 ◽  
Author(s):  
Zengyun Jian ◽  
Xiaoqin Yang ◽  
Fange Chang ◽  
Wanqi Jie
Keyword(s):  
Silicon Crystal ◽  
Interface Energy ◽  
Liquid Interface ◽  
Aluminum Melt ◽  
Solid Liquid Interface ◽  
Solid Liquid

INTRINSIC SURFACE AND INTERFACE STRESS OF LOW-DIMENSIONAL CRYSTALS

2002 ◽  
Vol 16 (01n02) ◽  
pp. 64-70 ◽  
Author(s):  
Q. JIANG ◽  
D. S. ZHAO ◽  
M. ZHAO
Keyword(s):  
Theoretical Consideration ◽  
Size Dependence ◽  
Interface Energy ◽  
Liquid Interface ◽  
Interface Stress ◽  
Surface And Interface ◽  
Low Dimensional ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Theoretical Results

Based on the theoretical consideration on the size-dependence of solid-liquid interface energy, a model for the intrinsic interface stress of metallic, ionic and semiconductor nanosolid has been developed, free from adjustable parameters. Modeling predictions agree well with experimental observations and other theoretical results.

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