Origins of phase separation in thermoelectric (Ti, Zr, Hf)NiSn half-Heusler alloys from first principles

2016 ◽  
Vol 4 (36) ◽  
pp. 13949-13956 ◽  
Author(s):  
Alexander Page ◽  
Anton Van der Ven ◽  
P. F. P. Poudeu ◽  
Ctirad Uher
Keyword(s):  
Phase Diagram ◽  
Phase Separation ◽  
First Principles ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Heusler Alloys ◽  
First Principles Calculations ◽  
Composition Space

First principles calculations were used to create a pseudo-ternary phase diagram of the (Hf1−x−yZryTix)NiSn composition space.

Thermodynamic Analysis of the Fe-Mn-P Ternary Phase Diagram by Combining the First-Principles and CALPHAD Methods

2007 ◽  
Vol 561-565 ◽  
pp. 1899-1902 ◽  
Author(s):  
T. Tokunaga ◽  
N. Hanaya ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Ternary System ◽  
Thermodynamic Analysis ◽  
First Principles ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
First Principles Calculations ◽  
The Enthalpy Of Formation

A thermodynamic analysis of the Fe-Mn-P ternary system has been carried out using the CALPHAD method. Among the three binary systems relevant to this ternary phase diagram, the thermodynamic parameters of the Mn-P binary system were evaluated in this study. The enthalpy of formation of the binary phosphides obtained from our first-principles calculations was utilized in the present analysis to compensate for the lack of available experimental data. The thermodynamic descriptions of the Fe-Mn and Fe-P binary systems were taken from previous studies. The phase equilibria in the Fe-Mn-P ternary system were analysed based on the experimental data on the phase boundaries. The calculated phase diagrams are in agreement with the experimental results.

scholarly journals Effects of solvent sort on casting solution and morphology of poly(ether sulfones) filtration membrane

2020 ◽  
Author(s):  
Kai Fan ◽  
Chun Liu ◽  
Haijun Yang ◽  
Zhengchi Hou
Keyword(s):  
Phase Diagram ◽  
Phase Separation ◽  
Shear Viscosity ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Viscosity Measurement ◽  
Micro Structure ◽  
Filtration Membranes ◽  
Filtration Membrane ◽  
Thermodynamics And Dynamics

Abstract Four kinds of solvent were chosen to prepare poly(ether sulfones) (PES) filtration membranes by the nonsolvent induced phase separation (NIPS) method. Ternary phase diagram and shear viscosity measurement were conducted to analyse the formation of prepared membrane from thermodynamic and kinetic perspectives. The micro-structure of the membranes with different solvents were analysed, and the result showed a high relevance to the thermodynamics and dynamics of the casting solutions, and promoted the proposal of a reasonable membrane formation mechanism.

scholarly journals Fabrication of a PVDF membrane with tailored morphology and properties via exploring and computing its ternary phase diagram for wastewater treatment and gas separation applications

RSC Advances ◽  
2020 ◽  
Vol 10 (66) ◽  
pp. 40373-40383
Author(s):  
S. Ashtiani ◽  
M. Khoshnamvand ◽  
P. Číhal ◽  
M. Dendisová ◽  
A. Randová ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Wastewater Treatment ◽  
Phase Separation ◽  
Ternary Phase ◽  
Vinylidene Fluoride ◽  
Ternary Phase Diagram ◽  
Simple Approach ◽  
Hydrophobic Properties ◽  
Pvdf Membrane ◽  
Poly Vinylidene Fluoride

We report a simple approach for tailoring the morphology of poly(vinylidene fluoride) (PVDF) membranes fabricated using a nonsolvent induced phase separation (NIPS) method that sustains both the hydrophilic and hydrophobic properties.

Transformations in undercooled molten Pd40.5Ni40.5P19

1998 ◽  
Vol 13 (11) ◽  
pp. 3034-3042 ◽  
Author(s):  
C. W. Yuen ◽  
H. W. Kui
Keyword(s):  
Phase Diagram ◽  
Phase Separation ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Nucleation And Growth ◽  
Glass Forming Ability ◽  
Metallic Alloys ◽  
Transition Regime ◽  
Glass Forming ◽  
Kinetic Crystallization

It was demonstrated that liquid phase separation by nucleation and growth (LNG) occurs in undercooled molten Pd40.5Ni40.5P19 for undercoolings ΔT ≤ 60 K (ΔT = Tl − T where Tl is the liquidus and T is the kinetic crystallization temperature), and liquid state spinodal decomposition (LSD) occurs for ΔT ≥ 100. For 60 ≤ ΔT ≤ 100 K, it is the transition regime from LNG to LSD. A ternary phase diagram is introduced to summarize the reactions occurred in undercooled molten Pd40.5Ni40.5P19. Finally, it is suggested that LSD has an important impact on glass-forming ability of metallic alloys.

Using phase boundary mapping to resolve discrepancies in the Mg2Si–Mg2Sn miscibility gap

2021 ◽  
Author(s):  
Rachel Orenstein ◽  
James P. Male ◽  
Michael Toriyama ◽  
Shashwat Anand ◽  
G. Jeffrey Snyder
Keyword(s):  
Phase Diagram ◽  
Phase Boundary ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Miscibility Gap ◽  
Boundary Mapping

A new understanding of the MgSi–MgSn miscibility gap is reached through phase boundary mapping the Mg–Si–Sn ternary phase diagram.

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