As part of the course titled "Computational Materials Science" (MM6010) taken by Prof. K C Hari Kumar
Plot the lattice stability of hcp, fcc and liquid iron with respect to its bcc allotropic form. You may use PURE database from SGTE. – 5 marks (Due date: 17-02-2016)
Plot the magnetic contribution to Gibbs energy of bcc iron as a function of temperature (300-1800 K) at 1 bar. Report enthalpy, entropy, heat capacity and Gibbs energy due to magnetic ordering of bcc iron at 400 K. What would be the most stable phase of iron at 400 K if it was not ferromagnetic? – 10 marks (Due date: 09-03-2016)
same as Equilibrium Phase Diagram
AlMgSi system is modelled
ADVANCED_OPTIONS in POLY_3 module is used initially. Traditional method of using CHANGE_STATUS is also shown.
Thermo-Calc official teaching video, video link is as follows: https://thermocalc.com/blog/how-to-do-a-calphad-assessment/?utm_term=Learn%20How%20to%20Do%20a%20CALPHAD%20Assessment&utm_campaign=Read%20the%20latest%20news%20from%20Thermo-Calc%20Software.%20&utm_content=email&utm_source=Act-On+Software&utm_medium=email
Use the PARROT module in Thermo-Calc software to CALPHAD evaluation (using As-Sn system as an example)
Plot the Gibbs first derivative and second derivative of the AI-Ga system. Database source: Ansara I , Chatillon C , Lukas H L ,et al.A binary database for III-V compound semiconductor system[J].Calphad, 1994, 18(2):177–222.DOI:10.1016/0364-5916(94)90027-2.
Plot the second order transition line in the BCC field of the Al-Fe system. Database source: Chen H L , Du Y , Xu H ,et al.Experimental investigation and thermodynamic modeling of the ternary Al-Cu-Fe system[J].Metallurgical & Materials Transactions A, 2009, 24(10):3154-3164.DOI:10.1557/jmr.2009.0376.
Plot the magnetic transformation line in the CEMENTITE phase of the Fe-C system. Database source: Thermo-Calc Software /Iron Demo Database v4.0, https://thermocalc.com/products/databases.
Plot the phase transformation driving force from the L12 phase to other phase of Al-Ni system at 600K. Step.1 Calculation of the miscibility gap in the Al-Ni system. Step.2 Calculation of phase transformation driving force from the L12 phase to other phase of the Al-Ni system at 600K. Database source: Walnsch A , Kriegel M J , Fabrichnaya O ,et al.Thermodynamic assessment and experimental investigation of the systems Al–Fe–Mn and Al–Fe–Mn–Ni[J].Calphad, 2019, 66:101621.DOI:10.1016/j.calphad.2019.04.006.
Calculation of the Scheil solidification path of the Al98Fe1Cu1(wt%). Database source: Chen H L , Du Y , Xu H ,et al.Experimental investigation and thermodynamic modeling of the ternary Al-Cu-Fe system[J].Metallurgical & Materials Transactions A, 2009, 24(10):3154-3164.DOI:10.1557/jmr.2009.0376.
Calculation of the precipitation curve of the Al98Fe1Cu1(wt%). Database source: Chen H L , Du Y , Xu H ,et al.Experimental investigation and thermodynamic modeling of the ternary Al-Cu-Fe system[J].Metallurgical & Materials Transactions A, 2009, 24(10):3154-3164.DOI:10.1557/jmr.2009.0376.