MTDATA – Phase Diagram Software from the National Physical Laboratory









Applications MTDATA

Materials problems faced by industry tend to be complex in nature, involving interactions between different materials, including alloys, ceramics, glasses, cements and minerals, as well as melts, aqueous solutions and gases. The number of process variables is often quite large, making feasibility studies and experimental optimisation expensive. MTDATA computes chemical and phase equilibrium as a function of composition and conditions, with results presented as tables or diagrams. The calculations can also be linked to process modelling software, thereby enabling kinetic problems to be solved.

The benefits of MTDATA are improved understanding and prediction of processes as a whole, more efficient direction of experiment, energy savings and avoidance of pollution and corrosion. MTDATA has been successfully used by industry (see examples), research centres and university groups in the following areas.

Alloy development


Extraction and recycling

  • high temperature stability
  • tramp element control
  • prediction of alloy embrittlement
  • glassy metals
  • directional solidification
  • prediction of liquidus and solidus temperatures
  • enthalpy of fusion
  • fraction of phases as a function of temperature


  • zinc smelting
  • pyrometallurgical extraction of copper, nickel and precious metals
  • extraction and purification of iron
  • steel making
  • secondary processing of raw materials
  • recycling of metals
  • hydrometallurgical processing

Energy conversion



  • coal gasification
  • battery development
  • recovery of nuclear fuels from spent material
  • safety analysis of nuclear reactors


  • brazes for aluminium and other alloys
  • purple plague in gold
  • microstructure and properties of welds
  • solders and fluxes

Materials processing


Corrosion and deposition

  • continuous casting of steel
  • casting of alloy components
  • production of hard metals for cutting tools
  • chemical processing
  • vapour phase deposition


  • corrosion in water circuits
  • high temperature and hot salt corrosion

Chemistry in technology


Materials general

  • performance of incandescent and discharge lamps
  • carbon deposition in heat exchangers
  • side effects of de-icing aircraft
  • catalyst performance


  • materials substitution
  • analysis of materials compatibility
  • fibre - matrix interactions in composites
  • glass and ceramic production
  • stability of refractories in use.

Electronic and magnetic materials


Environmental control

  • semiconductor development
  • superconducting oxide research
  • magnetic alloys and oxides research
  • electrical contact materials


  • sequestration of toxic wastes
  • vehicle exhaust catalyst performance
  • pollution in combustion
  • volatility of heavy metals
  • aqueous pollution analysis




  • prediction of the interaction between polymers, solvents and non-solvents