High-throughput determination of high-quality interdiffusion coefficients in metallic solids: a review

J Zhong, L Chen, L Zhang - Journal of Materials Science, 2020 - Springer
Accurate interdiffusion coefficients of composition and temperature dependence are
significantly important for understanding different materials processes. However, the high …

Uncertainty quantification and propagation in computational materials science and simulation-assisted materials design

P Honarmandi, R Arróyave - Integrating Materials and Manufacturing …, 2020 - Springer
Significant advances in theory, simulation tools, advanced computing infrastructure, and
experimental frameworks have enabled the field of materials science to become …

Bayesian optimization objective-based experimental design

M Imani, SF Ghoreishi - 2020 American control conference …, 2020 - ieeexplore.ieee.org
Design has become a salient part of most of the scientific and engineering tasks, embracing
a wide range of domains including real experimental settings (eg, material discovery or drug …

The effects and utility of homogenization and thermodynamic modeling on microstructure and mechanical properties of SS316/IN718 functionally graded materials …

C Ji, K Li, J Zhan, S Bai, B Jiang, LE Murr - Journal of Materials Processing …, 2023 - Elsevier
As driven by the need of structural integration and functionalization in modern society,
functionally graded material (FGM) with multiple materials is highly demanded for rapidly …

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 …

Quantified uncertainty in thermodynamic modeling for materials design

NH Paulson, BJ Bocklund, RA Otis, ZK Liu, M Stan - Acta Materialia, 2019 - Elsevier
Phase fractions, compositions and energies of the stable phases as a function of
macroscopic composition, temperature, and pressure (XTP) are the principle correlations …

A novel computational framework for establishment of atomic mobility database directly from composition profiles and its uncertainty quantification

J Zhong, L Zhang, X Wu, L Chen, C Deng - Journal of Materials Science & …, 2020 - Elsevier
In this work, a novel computational framework for establishment of atomic mobility database
directly from the experimental composition profiles and its uncertainty quantification was …

Bayesian strategies for uncertainty quantification of the thermodynamic properties of materials

NH Paulson, E Jennings, M Stan - International Journal of Engineering …, 2019 - Elsevier
Reliable models of the thermodynamic properties of materials are critical for industrially
relevant applications that require a good understanding of equilibrium phase diagrams …

Uncertainty quantification and propagation across a multi-model computational framework for the tailored design of additively manufactured shape memory alloys

M Ranaiefar, P Honarmandi, J Ye, C Zhang, L Xue… - Additive …, 2023 - Elsevier
Integrated computational materials engineering (ICME) combines the utility and efficiency of
simulations with experimentation to drive forward materials design and discovery. These …

Uncertainty quantification of phase boundary in a composition-phase map via Bayesian strategies

B Wu, H Zhang, Y Zhou, L Zhang, H Wang - Physical Review Materials, 2023 - APS
Phase boundary indicates the conditions of transition between phase regions, which is a key
constituent of a phase diagram. We propose an approach to determine the phase boundary …