The influence of Si on the primary protection of lean FeCrAl model alloys in O2 and O2+H2O at 600 \ub0C: A microstructural investigation

The present study investigates the influence of Si on the high-temperature corrosion behavior of lean FeCrAl model alloys in O2 and O2+H2O at 600 \ub0C. The addition of Si prevented breakaway oxidation in O2+H2O which may be explained by the increased Al-content and reduced Cr-content in the oxide (O2) as well as the Si-enrichment in the outer part of the scale (O2+H2O). A proposed explanation for the impact of Si-addition on the Cr- and Al-content was given by thermodynamic calculations which showed that the presence of Si increases the activity of Al in the alloy while reducing the activity of Cr

High temperature corrosion behavior of FeCrAlSi model alloys in the presence of water vapor and KCl at 600 \ub0C – The influence of Cr content

The corrosion behavior of Fe(5−20)Cr3Al2Si model alloys and the underlying mechanisms after breakaway oxidation was investigated at 600 \ub0C. Rapid breakaway oxidation was triggered for all alloys in the presence of KCl(s). Thermogravimetric analysis showed that alloys with a Cr content of ≥ 10 wt% transitioned into sub-parabolic oxidation kinetics at an early stage of the oxidation process after breakaway oxidation. Through advanced electron/ion microscopy, this behavior was attributed to high Cr-enrichment in the bottom part of the inward-growing scale, indicating the formation of a healing layer. Additionally, alloys with elevated Cr-content (≥15 wt%) were more prone to grain boundary attack

Secondary corrosion protection of FeCr(Al) model alloys at 600 \ub0C – The influence of Cr and Al after breakaway corrosion

The influence of Cr and Al content on the oxidation behaviour of FeCr(Al) model alloys after breakaway oxidation at 600 \ub0C and the underlying mechanisms were investigated in detail with thermogravimetrical analysis (TGA), thermodynamic calculations and advanced electron microscopy. The results showed that a Cr-content of ≥18 wt% drastically reduced the growth rate of the Fe-rich oxide scale, formed after breakaway oxidation, for FeCrAl alloys but not for FeCr alloys. This was attributed to the ability of the Fe(18-25)CrAl alloys to prevent internal oxidation, which enables the formation of a healing layer

Strategies for High-Temperature Corrosion Simulations of Fe-Based Alloys Using the Calphad Approach: Part I

The environmental degradation of materials at high temperatures limits the useful life of different industrial components and hinders the development of more economical and environmentally friendly processes for the energy production. Despite the importance of this phenomena, a model to predict lifetime of materials that degrade due to high-temperature corrosion has up till now been lacking due to limitations of the computational possibilities and the complex nature of oxidation. In the present work we develop some strategies to model high-temperature corrosion in Fe-based alloys using the Calphad (Calculation of Phase Diagrams) approach. It is proposed that kinetic-based simulations for oxidation of Al and Cr can accurately represent the lifetime of the protective layers in FeCrAl and FeCr alloys at different temperatures in air. The oxide systems are in addition investigated by equilibrium calculations. The corrosion mechanisms of FeCr and FeCrAl alloys are discussed based on theoretical and experimental knowledge

High-temperature oxidation behaviour of AlxFeCrCoNi and AlTiVCr compositionally complex alloys

Compositionally complex alloys (CCAs), also termed as high entropy alloys (HEAs) or multi-principal element alloys (MPEAs), are being considered as a potential solution for many energy-related applications comprising extreme environments and temperatures. Herein, a review of the pertinent literature is performed in conjunction with original works characterising the oxidation behaviour of two diverse Al-containing alloys; namely a lightweight (5.06 g/cm(3)) single-phase AlTiVCr CCA and a multiple-phase Al0.9FeCrCoNi CCA (6.9 g/cm(3)). The thermogravimetric results obtained during oxidation of the alloys at 700 and 900 degrees C revealed that both alloys tended to obey the desired parabolic rate law. Post-exposure analysis by means of electron microscopy indicated that while the oxide scale formed on the AlTiVCr is adherent to the substrate, the scale developed on the Al0.9FeCrCoNi displays a notable spalling propensity. This study highlights the need for tailoring the protective properties of the oxide scale formed on the surface of the CCAs

Developing the third generation of Calphad databases: what can ab-initio contribute?

Developing the third generation of Calphad databases with more physical basis valid within a wider temperature range is the aim of the present work. Atomistic scale (ab-initio) methods, particularly techniques based on DFT theory, are used for modelling dierent phenomena, so as to gauge the capacity for use in Calphad modelling. Several systems are investigated in this work for studying dierent phenomena, such as magnetism and vibration of atoms. In the case of pure elements (unaries), thermodynamic properties of Mn, Al and C are optimized in the whole temperature range by the help of new models. In addition, DFT results and specic characteristics of these elements are also used to develop models for describing magnetic properties and atomic vibrations. With regards to coupling between DFT and Calphad, the EMTO technique is used for determining the magnetic ground state of the metastable hcp phase in Fe and Mn, and the TU-TILD technique is used for modelling solid phases above the melting point. TU-TILD is also used for calculating thermodynamic properties of bcc Mn at nite temperatures. The same phenomena are investigated in higher-order systems, i.e. the binaries Fe-Mn and Mn-C. Thermodynamic properties and phase diagrams of these systems are assessed against experimental data. Moreover, the revised magnetic model is used for modelling magnetic properties in these systems. It is shown through this investigation that although the DFT methods are powerful tools for model development and for resolving discrepancies between dierent experimental datasets, they should not be overly-trusted. Caution must be taken when using DFT results, since the approximations and assumptions for computational implementations may cause some errors in the results. Moreover, implementing them into Calphad software as a connected methodology is not currently accessible due to the computational limitations. It is concluded that coupling between the DFT and Calphad approaches can currently be achieved by using DFT results as an input in Calphad modelling. This will help to improve them until they can be integrated into the Calphad approach by the progress of computational possibilities. One of the advantages of developing the third generation Calphad databases is the possibility of using the 0 K DFT results in Calphad modelling, since the new databases are valid down to 0 K. This has not been possible in the past, and such potential opens a new door to bring more physics into the Calphad approach.QC 20171006</p

the relationship between personality traits and creativity with the organizational performance of educational managers' human resources in Tehran's fifth region

The present study was aimed to examine the relationship between personality traits and creativity with the organizational performance of educational managers' human resources in Tehran's fifth region. Research method was practical in terms of objective; and in terms of data collection method, it was descriptive-correlational. The statistical population of the research consisted of all educational managers of schools in Tehran's fifth region. Using a Morgan Table and a simple random sampling method, 188 individuals were selected as sample size. In order to collect data, certain questionnaires were used. The present research used content and construct validity to determine the validity of the questionnaires. In addition, to measure reliability, Cronbach's alpha coefficient and composite reliability was used. Findings showed that the measurement tool was reliable and valid. The data collected from distributing the questionnaires were analyzed using SPSS and Smart PLS software in two sections: descriptive and inferential (structural equations). Findings showed that there was a significant relationship between flexibility and creativity with the performance of human resources in the education system of the fifth region. There was a significant relationship between adaptability and creativity with the performance of human resources in the education system of the fifth region. There was a significant relationship between responsibility and creativity with the performance of human resources in the education system of the fifth region

Thermodynamic Assessment of Binary Erythritol-Xylitol Phase Diagram for Phase Change Materials Design

Here, the experimental phase equilibrium data of the erythritol-xylitol system were thermodynamically optimized, to explore compositions suitable as phase change materials (PCMs) for thermal energy storage (TES). A previous experimental study revealed that erythritol-xylitol was a partially isomorphous system with a eutectic. In the thermodynamic evaluation, the CALPHAD method was employed coupling the phase diagram and thermodynamic property information. There, both unary and binary systems’ experimental data were taken into account, and all phases were described using the substitutional solution model. Finally, a self-consistent thermodynamic description for the erythritol-xylitol system was achieved. The calculated eutectic point is at 76.7 °C and 26.8 mol% erythritol, agreeing well with the experimental data. The calculated phase diagram better-verifies the systems’ solidus and the solvus, disclosing the stable phase relations. Based on the Gibbs energy minimization, phase diagrams can be predicted for the binary and higher order systems, provided the component subsystems are thermodynamically assessed beforehand. In conclusion, to move forward beyond e.g. non-isomorphous simple eutectic systems, methods using Gibbs free energy minimization from a fundamental point-of-view such as CALPHAD are essential.This is a submitted manuscript (CALPHA_2017_96) under review in the journal Calphad.QC 20170825</p

Thermodynamic Assessment of Binary Erythritol-Xylitol Phase Diagram for Phase Change Materials Design

Here, the experimental phase equilibrium data of the erythritol-xylitol system were thermodynamically optimized, to explore compositions suitable as phase change materials (PCMs) for thermal energy storage (TES). A previous experimental study revealed that erythritol-xylitol was a partially isomorphous system with a eutectic. In the thermodynamic evaluation, the CALPHAD method was employed coupling the phase diagram and thermodynamic property information. There, both unary and binary systems’ experimental data were taken into account, and all phases were described using the substitutional solution model. Finally, a self-consistent thermodynamic description for the erythritol-xylitol system was achieved. The calculated eutectic point is at 76.7 °C and 26.8 mol% erythritol, agreeing well with the experimental data. The calculated phase diagram better-verifies the systems’ solidus and the solvus, disclosing the stable phase relations. Based on the Gibbs energy minimization, phase diagrams can be predicted for the binary and higher order systems, provided the component subsystems are thermodynamically assessed beforehand. In conclusion, to move forward beyond e.g. non-isomorphous simple eutectic systems, methods using Gibbs free energy minimization from a fundamental point-of-view such as CALPHAD are essential.This is a submitted manuscript (CALPHA_2017_96) under review in the journal Calphad.QC 20170825</p