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 …
experimental frameworks have enabled the field of materials science to become …
Understanding the interactions between lithium polysulfides and anchoring materials in advanced lithium–sulfur batteries using density functional theory
Lithium–sulfur batteries (LSBs) are promising energy storage devices because of their high
theoretical capacity and energy density. However, the “shuttle” effect in lithium polysulfides …
theoretical capacity and energy density. However, the “shuttle” effect in lithium polysulfides …
ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu–Mg
The software package ESPEI has been developed for efficient evaluation of thermodynamic
model parameters within the CALPHAD method. ESPEI uses a linear fitting strategy to …
model parameters within the CALPHAD method. ESPEI uses a linear fitting strategy to …
Creep anisotropy modeling and uncertainty quantification of an additively manufactured Ni-based superalloy
The advantages offered by additive manufacturing over traditional processes has driven a
great deal of industrial and academic interest in recent years. However, the process is …
great deal of industrial and academic interest in recent years. However, the process is …
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 …
Thermodynamics of monoclinic and tetragonal hafnium dioxide (HfO2) at ambient pressure
Accurate and precise thermodynamic models of oxide compounds and their phases are
important for calculating the phase stability of oxide materials. We develop and use a …
important for calculating the phase stability of oxide materials. We develop and use a …
Time-varying uncertainty evaluation of the shock wave pressure measurements with small samples in an aerospace shock tube
Z Yao, M Yang, B Shi, L Yao - Mechanical Systems and Signal Processing, 2023 - Elsevier
Shock tube is a crucial device for the dynamic calibration of pressure sensors in aerospace
and defense fields. Accurate measurement of the shock wave pressure (SWP) in the shock …
and defense fields. Accurate measurement of the shock wave pressure (SWP) in the shock …
[HTML][HTML] Uncertainty quantification for a multi-phase carbon equation of state model
BA Lindquist, RB Jadrich - Journal of Applied Physics, 2022 - pubs.aip.org
Many physics models have tunable parameters that are calibrated by matching the model
output to experimental or calculated data. However, given that calibration data often contain …
output to experimental or calculated data. However, given that calibration data often contain …
Ab initio calculation of hafnium and zirconium melting curves via the Lindemann criterion
In this work we present the melting curves of hafnium and zirconium obtained using
quantum molecular dynamics calculations. The mean-square displacements computed …
quantum molecular dynamics calculations. The mean-square displacements computed …