Uncertainty quantification and propagation in computational materials science and simulation-assisted materials design
Significant advances in theory, simulation tools, advanced computing infrastructure, and
experimental frameworks have enabled the field of materials science to become …
experimental frameworks have enabled the field of materials science to become …
Recent progress of uncertainty quantification in small-scale materials science
P Acar - Progress in Materials Science, 2021 - Elsevier
This work addresses a comprehensive review of the recent efforts for uncertainty
quantification in small-scale materials science. Experimental and computational studies for …
quantification in small-scale materials science. Experimental and computational studies for …
Quantified uncertainty in thermodynamic modeling for materials design
Phase fractions, compositions and energies of the stable phases as a function of
macroscopic composition, temperature, and pressure (XTP) are the principle correlations …
macroscopic composition, temperature, and pressure (XTP) are the principle correlations …
Bayesian uncertainty quantification and information fusion in CALPHAD-based thermodynamic modeling
Calculation of phase diagrams is one of the fundamental tools in alloy design—more
specifically under the framework of Integrated Computational Materials Engineering …
specifically under the framework of Integrated Computational Materials Engineering …
Oxidation of Al2O3 Scale-Forming MAX Phases in Turbine Environments
JL Smialek - Metallurgical and Materials Transactions A, 2018 - Springer
High temperature oxidation of alumina-forming MAX phases, Ti 2 AlC and Cr 2 AlC, were
examined under turbine engine environments and coating configurations …
examined under turbine engine environments and coating configurations …
High-throughput reaction engineering to assess the oxidation stability of MAX phases
D Sauceda, P Singh, AR Falkowski, Y Chen… - npj Computational …, 2021 - nature.com
The resistance to oxidizing environments exhibited by some Mn+ 1AXn (MAX) phases stems
from the formation of stable and protective oxide layers at high operating temperatures. The …
from the formation of stable and protective oxide layers at high operating temperatures. The …
Uncertainty quantification and propagation in CALPHAD modeling
Abstract Design is about making decisions bounded by a quantifiable degree of certainty. In
the context of alloy design, Integrated Computational Materials Engineering (ICME) provides …
the context of alloy design, Integrated Computational Materials Engineering (ICME) provides …
Current Status and Future Scope of Phase Diagram Studies
M Enoki, S Minamoto, I Ohnuma, T Abe, H Ohtani - ISIJ International, 2023 - jstage.jst.go.jp
Research on alloy phase diagrams started in the middle of the 19th century and progressed
into the laborious and time-consuming process of constructing phase diagrams through …
into the laborious and time-consuming process of constructing phase diagrams through …
Uncertainty quantification in atomistic modeling of metals and its effect on mesoscale and continuum modeling: A review
The design of next-generation alloys through the integrated computational materials
engineering (ICME) approach relies on multiscale computer simulations to provide …
engineering (ICME) approach relies on multiscale computer simulations to provide …
Microstructure and mechanical properties of (CrxTi1-x) 2AlC 211 MAX phases as composites through spark plasma sintering
MAX phases are intriguing materials due to their unique properties. However, each of these
materials possesses its own weaknesses when subjected to service conditions. For …
materials possesses its own weaknesses when subjected to service conditions. For …