Insufficient availability of molten salt corrosion‐resistant alloys severely limits the fruition of a variety of promising molten salt technologies that could otherwise have significant societal …
R Otis - Computational Materials Science, 2022 - Elsevier
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 …
Calculation of phase diagrams is one of the fundamental tools in alloy design—more specifically under the framework of Integrated Computational Materials Engineering …
Phase fractions, compositions and energies of the stable phases as a function of macroscopic composition, temperature, and pressure (XTP) are the principle correlations …
Reliable models of the thermodynamic properties of materials are critical for industrially relevant applications that require a good understanding of equilibrium phase diagrams …
The accurate prediction of the thermal histories and melt pool characteristics during additive manufacturing (AM) is necessary to understand the factors responsible for the quality and …
The development of accurate kinetic databases by parametrizing the composition and temperature dependence of elemental atomic mobilities, is essential for correct …
U-Nb's discontinuous precipitation, γ matrix bcc→ α cellular orth+ γ cellular′ bcc, is intriguing in the sense that it allows formation and growth of the metastable γ′ phase during …
Integrated computational materials engineering (ICME) combines the utility and efficiency of simulations with experimentation to drive forward materials design and discovery. These …