Thermodynamics is a science concerning the state of a system, whether it is stable,
metastable, or unstable, when interacting with its surroundings. The combined law of …

Uncertainty quantification is an important part of materials science and serves a role not only
in assessing the accuracy of a given model, but also in the rational reduction of uncertainty …

Significant discrepancies have been observed and discussed on the lattice stability of Cr
between the predictions from the ab initio calculations and the CALPHAD approach. In the …

The development of accurate kinetic databases by parametrizing the composition and
temperature dependence of elemental atomic mobilities, is essential for correct …

Abstract Calculation of Phase Diagrams (Calphad) is a method of using thermodynamic
models obtained from experimental data to perform thermodynamic calculations. The next …

Phase separation is a relevant mode of transformation for microstructure development in
multicomponent alloys. Its occurrence can drastically alter the composition landscape and …

Combinatorial materials chips (CMC) are composition spread thin-films deposited on a
substrate that can rapidly determine the compositional-temperature information of ternary …

In this work, a long-established but sparsely documented method of obtaining semi-analytic
derivatives of thermodynamic properties with respect to equilibrium conditions is briefly …

This book describes the application of artificial intelligence (AI)/machine learning (ML)
concepts to develop predictive models that can be used to design alloy materials, including …

Thermodynamics is language for describing the equilibrium and non-equilibrium states of
the microscopic and macroscopic systems that make up our universe. In materials science …