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Thermodynamics of High Temperature Materials Systems

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Computational <strong>Thermodynamics</strong><br />

Theory<br />

Quantum Mechanics,<br />

Statistical<br />

<strong>Thermodynamics</strong><br />

Estimates<br />

Experiments<br />

DTA, Calorimetry,<br />

EMF, Knudsen Effusion,<br />

Metallography,<br />

X-ray Diffractometry, ...<br />

CALPHAD<br />

Optimization<br />

Ab-initio<br />

Calculation<br />

Models<br />

with adjustable<br />

Parameters<br />

Adjustment <strong>of</strong><br />

Parameters<br />

CALculation<br />

<strong>of</strong> PHAse Diagrams<br />

Thermodyn. Functions<br />

G, H, S, C p<br />

Storage in<br />

Databases<br />

Equilibrium<br />

Calculations<br />

Application<br />

Equilibria<br />

Phase Diagrams<br />

Kinetics<br />

Graphical<br />

Representation

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