Materials chemistry links

Materials Chemistry Resources

NPL

National Physical Laboratory develops MTDATA software package which can calculate phase equilibria and thermodynamic properties in multicomponent multiphase systems, and also develops thermodynamic databases. The website provides many useful resources.

NPL Home | Thermodynamics | MTDATA

CALPHAD 

A site dedicated to Computational Thermodynamics or Calculating phase diagrams using CALPHAD method. The site has numerous resources including binary and ternary phase diagrams of a number of systems, a glossary of terms and useful external links.

Website


SGTE

SGTE (Scientific Group Thermodata Europe) is a consortium of centres engaged in the development of thermodynamic databases for inorganic and metallurgical systems and their application to practical systems. The site contains many resources including phase diagrams of a number of systems.

SGTE Home | Binary phase diagrams | Alloy phase diagrams


NIST

National Institute of Standards and Technology has some resources on phase diagrams and computational thermodynamics.

NIST Home | Computational Thermodynamics | Phase Diagrams | Alloy Data


Software Resources

MTDATA

MTDATA is a software tool developed by the National Physical Laboratory for the calculation of phase equilibria and thermodynamic properties. It supports a number of different databases for a wide variety of materials and can generate binary and ternary phase diagrams. 

MTDATA Home | SoftwareDatabases |


MSI Eureka

MSI Eureka is an interactive database for generating evaluated phase diagrams and related constitutional data.

MSI Eureka Home | ThermoChem Tool (free)


Thermo-Calc

Thermo-Calc software is capable of thermodynamic and phase diagram calculations for multicomponent systems. A wide range of databases is supported.

Website


JMatPro

JMatPro is a simulation software that can calculate a wide range of materials properties of alloys including phase equilibrium and transformations

Website


Pandat

An integrated computational tool for multi-component phase diagram calculation and materials property simulation.

Website


FactSage

With FactSage, you can calculate the conditions for multiphase, multicomponent equilibria, with a wide variety of tabular and graphical output modes, under a large range of constraints.

Website


OpenCalphad

The OpenCalphad project was initiated to create an open-source code implementing the Calphad technique. The software can perform equilibrium calculations for multicomponent systems and calculate thermodynamic properties under different conditions including step- and phase diagram calculations.

Website


CaTCalc

CaTCalc calculates chemical thermodynamic equilibrium by the Gibbs energy minimization with an easy-to-use user interface and supports functionalities such as phase diagram mapping, potential diagrams, liquidus projection, univariant line projection and solidification simulation.

CaTCalc Home | Usage Examples


Materials Algorithm Project (MAP)

The MAP software library contains algorithms that can be employed for solving problems in materials science and metallurgy. The library has a number of subroutines which can be used to solve problems in phase transformation and thermodynamics. The software is written in standard programming languages such as FORTRAN. MAP originated from a joint project of the University of Cambridge and the National Physical Laboratory. 

Website


Educational Resources

University of Cambridge Materials Science & Metallurgy Course Material

A wide variety of teaching material including, slides, animations and videos on thermodynamics and phase transformations from courses conducted by Prof HKDH Bhadeshia are available.

Website


MIT OpenCourseWare (OCW)

OpenCourseWare program of Massachusetts Institute of Technology makes the teaching materials used in the teaching of MIT's subjects available on the Web.

Website 

Thermodynamics of Materials | Thermodynamics and Kinetics of Materials | Thermodynamics and Kinetics