Multiscale modelling of precipitation hardening in Al–Cu alloys: Dislocation dynamics simulations and experimental validation

R Santos-Güemes, B Bellón, G Esteban-Manzanares… - Acta Materialia, 2020 - Elsevier
The mechanisms of dislocation/precipitate interactions were analyzed in an Al–Cu alloy
containing a homogeneous dispersion of θ′ precipitates by means of discrete dislocation …

A dislocation-density-based crystal plasticity model for FCC nanocrystalline metals incorporating thermally-activated depinning from grain boundaries

J Cappola, J Wang, L Li - International Journal of Plasticity, 2024 - Elsevier
A novel dislocation-density-based crystal plasticity model for nanocrystalline face-centered
cubic metals is developed based on the thermally-activated mechanism of dislocations …

An atomistic investigation of the interaction of dislocations with Guinier-Preston zones in Al-Cu alloys

G Esteban-Manzanares, E Martínez, J Segurado… - Acta Materialia, 2019 - Elsevier
The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was
analyzed by means of atomistic simulations. The different thermodynamic functions that …

Microstructure-sensitive modeling of high temperature creep in grade-91 alloy

MA Kumar, L Capolungo - International Journal of Plasticity, 2022 - Elsevier
Predicting the effects of microstructure on high-temperature creep responses of steel
components is critical to minimize the risks of failure and maximize economic viability in the …

Influence of the stress state on the cross-slip free energy barrier in Al: an atomistic investigation

G Esteban-Manzanares, R Santos-Güemes… - Acta Materialia, 2020 - Elsevier
The influence of the stress state on the cross-slip rate in Al was analyzed by means of
molecular dynamics simulations and transition state theory. The activation energy barrier in …

Nonequilibrium statistical thermodynamics of thermally activated dislocation ensembles: part 2—ensemble evolution toward correlation of enthalpy barriers

DL McDowell - Journal of Materials Science, 2024 - Springer
In part 1, we formally defined important physical concepts in statistical thermodynamics that
undergird internal state variable (ISV) theory such as configurational subsystems (eg …

Stress-dependent activation entropy in thermally activated cross-slip of dislocations

Y Wang, W Cai - Proceedings of the National Academy of …, 2023 - National Acad Sciences
Cross-slip of screw dislocations in crystalline solids is a stress-driven thermally activated
process essential to many phenomena during plastic deformation, including dislocation …

A strain rate and temperature-dependent crystal plasticity model for hexagonal close-packed (HCP) materials: Application to α-titanium

L Dai, W Song - International Journal of Plasticity, 2022 - Elsevier
The mechanical responses of hexagonal close-packed (HCP) materials are highly
anisotropic, as well as strain rate and temperature-dependent, because of inherently …

Thermal fluctuations of dislocations reveal the interplay between their core energy and long-range elasticity

PA Geslin, D Rodney - Physical Review B, 2018 - APS
Equilibrium fluctuations of dislocations are central to the plastic response of metals and
alloys because they control the attempt frequency of thermally activated events. We analyze …

Nonequilibrium statistical thermodynamics of thermally activated dislocation ensembles: part 1: subsystem reactions under constrained local equilibrium

DL McDowell - Journal of Materials Science, 2024 - Springer
This three-part paper lends new insight into the interpretation of internal state variable (ISV)
theory and fundamentals of the behavior of thermally activated dislocation ensembles. We …