Thermodynamic Modeling and Materials Data Engineering

Jean-Pierre Caliste

Recent developments in computer-aided modeling and simulation of complex materials systems involve three components. First, those basic tools of thermodynamics, state equations, must be revisited. Second, the new physical parameters of materials modeling require the increased data precision obtainable by recent physical and analytical instrumentation. Finally, we urgently need to create highly specialized databases as tools for quality assessment, correlation and prediction. This book includes concrete examples in metalurgy, polymers, composites, solutions and gels - all currently relevant and important for materials scientists and engineers. It examines the behavior of new materials and their complex synthesis processes. The growing importance of CAD methodology in Material Sciences is clearly identified. CAD contributions are viewed here dynamically, e.g. in the context of the...