Interfacial Energies for Incoherent Inclusions

2001 ◽  
Vol 159 (4) ◽  
pp. 335-361
Author(s):  
Paolo Cermelli ◽  
Giovanni Leoni
Keyword(s):  
Interfacial Energies

scholarly journals Phase Behaviour of Methane Hydrates in Confined Media

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 201
Author(s):  
Hao Bian ◽  
Lu Ai ◽  
Klaus Hellgardt ◽  
Geoffrey C. Maitland ◽  
Jerry Y. Y. Heng
Keyword(s):  
Phase Behaviour ◽  
Methane Hydrates ◽  
Scanning Calorimetry ◽  
Macroporous Silica ◽  
Interfacial Energies ◽  
Temperature Method ◽  
Hydrate Phase ◽  
Dissociation Temperature ◽  
Confined Media ◽  
Decomposition Behaviour

In a study designed to investigate the melting behaviour of natural gas hydrates which are usually formed in porous mineral sediments rather than in bulk, hydrate phase equilibria for binary methane and water mixtures were studied using high-pressure differential scanning calorimetry in mesoporous and macroporous silica particles having controlled pore sizes ranging from 8.5 nm to 195.7 nm. A dynamic oscillating temperature method was used to form methane hydrates reproducibly and then determine their decomposition behaviour—melting points and enthalpies of melting. Significant decreases in dissociation temperature were observed as the pore size decreased (over 6 K for 8.5 nm pores). This behaviour is consistent with the Gibbs–Thomson equation, which was used to determine hydrate–water interfacial energies. The melting data up to 50 MPa indicated a strong, essentially logarithmic, dependence on pressure, which here has been ascribed to the pressure dependence of the interfacial energy in the confined media. An empirical modification of the Gibbs–Thomson equation is proposed to include this effect.

A Method for Estimation of Interfacial Energies in Ceramic-Liquid Metal and Alloy Systems

1993 ◽  
Vol 126-128 ◽  
pp. 695-698
Author(s):  
Simeon Agathopoulos ◽  
A. Tsoga ◽  
P. Nikolopoulos
Keyword(s):  
Liquid Metal ◽  
Interfacial Energies ◽  
Alloy Systems

scholarly journals Thermodynamic Modelling and Microstructural Study of Z-Phase Formation in a Ta-Alloyed Martensitic Steel

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1332
Author(s):  
Florian Riedlsperger ◽  
Bernadette Gsellmann ◽  
Erwin Povoden-Karadeniz ◽  
Oriana Tassa ◽  
Susanna Matera ◽  
...  
Keyword(s):  
Special Focus ◽  
Scanning Calorimetry ◽  
Transmission Electron Microscopy Analysis ◽  
Computational Framework ◽  
Mobility Data ◽  
Interfacial Energies ◽  
Transmission Electron ◽  
Size Number ◽  
Electron Microscopy Analysis ◽  
Microscopy Analysis

A thermokinetic computational framework for precipitate transformation simulations in Ta-containing martensitic Z-steels was developed, including Calphad thermodynamics, diffusion mobility data from the literature, and a kinetic parameter setup that considered precipitation sites, interfacial energies and dislocation density evolution. The thermodynamics of Ta-containing subsystems were assessed by atomic solubility data and enthalpies from the literature as well as from the experimental dissolution temperature of Ta-based Z-phase CrTaN obtained from differential scanning calorimetry. Accompanied by a comprehensive transmission electron microscopy analysis of the microstructure, thermokinetic precipitation simulations with a wide-ranging and well-documented set of input parameters were carried out in MatCalc for one sample alloy. A special focus was placed on modelling the transformation of MX into the Z-phase, which was driven by Cr diffusion. The simulation results showed excellent agreement with experimental data in regard to size, number density and chemical composition of the precipitates, showing the usability of the developed thermokinetic simulation framework.

A new computational approach to the study of epitaxy: the calcite/dolomite case

CrystEngComm ◽  
2017 ◽  
Vol 19 (28) ◽  
pp. 3939-3946 ◽  
Author(s):  
M. Bruno ◽  
F. R. Massaro ◽  
M. Rubbo
Keyword(s):  
Computational Approach ◽  
Interfacial Energies

A new way to determine the adhesion and interfacial energies in epitaxial systems is presented.

scholarly journals Optimization of Interfacial Energy for Langer-Schwartz Based Precipitation Simulations

2021 ◽  
Author(s):  
Conner Sarich ◽  
Adam Hope ◽  
Jim Rule
Keyword(s):  
Experimental Data ◽  
Interfacial Energy ◽  
Volume Fraction ◽  
Published Data ◽  
Low Alloy Steels ◽  
Interfacial Energies ◽  
Nucleation Sites ◽  
Alloy Steels ◽  
Thermal Histories ◽  
Al 2024

Abstract Precipitation kinetics were investigated in select Fe, Ni, and Al alloys using a CALPHAD based precipitation model based on Langer-Schwartz theory. Thermodynamic and kinetic data are taken from commercially available CALPHAD software, but reliable interfacial energy data for precipitates needed for the calculations is often lacking. While models exist to approximate these interfacial energies, this study has focused on deriving more reliable estimates by comparison with experimental data. By performing simulations with thermal histories, nucleation sites, and precipitate morphologies that closely replicate experimental data found in literature, the interfacial energies were optimized until volume fraction and mean radius values closely matched the published data. Using this technique, interfacial energy values have been determined for carbides in Grade 22 low alloy steels, delta phase in Ni 625 and 718, SPhase in Al 2024, and Q’ and β’’ in Al 6111, and can be used for future predictive precipitation simulations.

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