Experimental Validation of Property Models and Databases for Computational Superalloy Design
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Engineering Materials"
DOI: 10.1002/adem.202401051
Abstract: Computational superalloy development is a powerful alternative to the conventional experimental approach. Based on thermodynamic databases and the CALPHAD method, it is possible to estimate the properties of a large number of potential alloys and… read more here.
Keywords: computational superalloy; amp amp; property models; amp ... See more keywords
Reliable Estimation of Prediction Uncertainty for Physicochemical Property Models.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00235
Abstract: One of the major challenges in computational science is to determine the uncertainty of a virtual measurement, that is the prediction of an observable based on calculations. As highly accurate first-principles calculations are in general… read more here.
Keywords: uncertainty; density; property; prediction uncertainty ... See more keywords