Predicting heat capacity and experimental investigations in the Al-Fe and Al-Fe-Si systems as part of the CALPHAD-type assessment of the Al-Fe-Mg-Si system

The aim of this work was to improve the heat capacity estimation of a material for usage within a CALPHAD-type assessment. An algorithm is derived that estimates the trend of heat capacity with temperature based on zero Kelvin properties and the thermal expansion coefficient at the Debye temperature. The algorithm predicts not only the trend of heat capacity but also the temperature trend of the volume and the bulk modulus, which can be also included in new thermodynamic databases. The algorithm is used to assess thermophysical properties of the intermetallic phases eta (Fe2Al5), epsilon~(Fe5Al8) and tau4 (FeAl3Si2). The heat capacity of the intermetallic phases zeta, eta, theta and epsilon of the Al-Fe system and of tau4 of the Al-Fe-Si system was measured using DSC. For the phases zeta, eta, and theta, a non-linearly increasing heat capacity approaching the melting temperature was observed. In addition, the heat capacity of three bcc-based Al-Fe samples including the B2-->A2 transition were determined. The Al-rich section of the Al-Fe phase diagram was studied using DTA and quenching experiments. The homogeneity ranges of the intermetallic phases were determined using SEM/WDS measurements. Based on own and literature values, a thermodynamic description of the Al-Fe system was assessed including the modelling of A2/B2 ordering and the homogeneity range of all intermetallic phases. In addition, thermodynamic parameters of the Al-Fe-Si, Al-Fe-Mg, and the Fe-Mg-Si system were assessed to obtain a thermodynamic description of the Al-rich side of the Al-Fe-Si-Mg system, which can be used to study phase transitions of typical A356-aluminium alloys

4th PhD conference: Sustainability? - Your research - our world ; Abstracts

These are the abstracts of the oral and poster presentations of the 4th PhD conference held on 06. June 2019 in Freiberg

6th PhD Conference - Abstracts: Give it a Benefit! - What do you Research for?

These are the abstracts of the oral presentations of the 6th PhD conference held on 10. June 2022 in Freiberg

Coarse‐Grained Refractory Composite Castables Based on Alumina and Niobium

Niobium-alumina composite aggregates with 60 vol% metal content and with particle sizes up to 3150 μm are produced using castable technology followed by sintering, and a crushing and sieving process. X-Ray diffraction (XRD) analysis reveals phase separation during crushing as the niobium:corundum volume ratios is between 37:57 and 64:31 among the 4 produced aggregate classes 0–45, 45–500, 500–1000, and 1000–3150 μm. The synthesized aggregates are used to produce coarse-grained refractory composites in a second casting and sintering step. The fine- and coarse-grained material shows porosities between 32% and 36% with a determined cold modulus of rupture of 20 and 12 MPa, and E-moduli of 37 and 46 GPa, respectively. The synthesized fine-grained composites reached true strain values between 0.08 at 1100 °C and 0.18 at 1500 °C and the coarse-grained ones values between 0.02 and 0.09. The electrical conductivity for the fine-grained and the coarse-grained material is 448±66 and 111±25  S cm$^{−1}$, respectively

4th PhD conference: Sustainability? - Your research - our world ; Abstracts

These are the abstracts of the oral and poster presentations of the 4th PhD conference held on 06. June 2019 in Freiberg

cp-tools: A Python library for predicting heat capacity of crystalline substances

A Python library, called cp-tools, is presented that can be used to predict heat capacity cpof a crystalline phase based on the Debye temperature, thermal expansion coefficient at the Debye temperature, and the zero-Kelvin properties volume and bulk modulus. The temperature dependence of thermal expansion, volume, bulk modulus and heat capacity can be assessed to obtain a reliable thermodynamic description of a substance. In addition, several scripts are provided for obtaining and evaluating the input parameters from experimental data. Keywords: CALPHAD, Heat capacity, Thermodynamic modellin

6th PhD Conference - Abstracts: Give it a Benefit! - What do you Research for?

These are the abstracts of the oral presentations of the 6th PhD conference held on 10. June 2022 in Freiberg

6th PhD Conference - Abstracts: Give it a Benefit! - What do you Research for?

These are the abstracts of the oral presentations of the 6th PhD conference held on 10. June 2022 in Freiberg

Predicting heat capacity and experimental investigations in the Al-Fe and Al-Fe-Si systems as part of the CALPHAD-type assessment of the Al-Fe-Mg-Si system

The aim of this work was to improve the heat capacity estimation of a material for usage within a CALPHAD-type assessment. An algorithm is derived that estimates the trend of heat capacity with temperature based on zero Kelvin properties and the thermal expansion coefficient at the Debye temperature. The algorithm predicts not only the trend of heat capacity but also the temperature trend of the volume and the bulk modulus, which can be also included in new thermodynamic databases. The algorithm is used to assess thermophysical properties of the intermetallic phases eta (Fe2Al5), epsilon~(Fe5Al8) and tau4 (FeAl3Si2). The heat capacity of the intermetallic phases zeta, eta, theta and epsilon of the Al-Fe system and of tau4 of the Al-Fe-Si system was measured using DSC. For the phases zeta, eta, and theta, a non-linearly increasing heat capacity approaching the melting temperature was observed. In addition, the heat capacity of three bcc-based Al-Fe samples including the B2-->A2 transition were determined. The Al-rich section of the Al-Fe phase diagram was studied using DTA and quenching experiments. The homogeneity ranges of the intermetallic phases were determined using SEM/WDS measurements. Based on own and literature values, a thermodynamic description of the Al-Fe system was assessed including the modelling of A2/B2 ordering and the homogeneity range of all intermetallic phases. In addition, thermodynamic parameters of the Al-Fe-Si, Al-Fe-Mg, and the Fe-Mg-Si system were assessed to obtain a thermodynamic description of the Al-rich side of the Al-Fe-Si-Mg system, which can be used to study phase transitions of typical A356-aluminium alloys