Theory of kink migration in dilute BCC alloys

Cross-kinks control screw dislocation strength in equiatomic bcc refractory alloys

(2021) Xinran Zhou et al.   ACTA MATERIALIA

Quantifying the dynamics of dislocation kinks in iron and tungsten through atomistic simulations

(2020) Rigelesaiyin Ji et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Theory of double-kink nucleation in dilute BCC alloys

(2020) Alireza Ghafarollahi et al.   ACTA MATERIALIA

An atomistically informed kinetic Monte Carlo model for predicting solid solution strengthening of body-centered cubic alloys

(2019) Shuhei Shinzato et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Solute/screw dislocation interaction energy parameter for strengthening in BCC dilute to high entropy alloys

(2019) Alireza Ghafarollahi et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K

(2019) Francesco Maresca et al.   ACTA MATERIALIA

Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys

(2019) Francesco Maresca et al.   ACTA MATERIALIA

Attractive interaction between interstitial solutes and screw dislocations in bcc iron from first principles

(2018) B. Lüthi et al.   COMPUTATIONAL MATERIALS SCIENCE

Direct prediction of the solute softening-to-hardening transition in W–Re alloys using stochastic simulations of screw dislocation motion

(2018) Yue Zhao et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

(2018) Francesco Maresca et al.   npj Computational Materials

Mechanical properties of Fe-rich Si alloy from Hamiltonian

(2017) Tetsuo Mohri et al.   npj Computational Materials

Global transition path search for dislocation formation in Ge on Si(001)

(2016) E. Maras et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermally-activated non-Schmid glide of screw dislocations in W using atomistically-informed kinetic Monte Carlo simulations

(2015) Alexander Stukowski et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Stress-dependent solute energetics in W–Re alloys from first-principles calculations

(2014) M.Z. Hossain et al.   ACTA MATERIALIA

Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

(2013) Lisa Ventelon et al.   ACTA MATERIALIA

Quantum effect on thermally activated glide of dislocations

(2012) Laurent Proville et al.   NATURE MATERIALS

A space–time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation

(2007) Aiichiro Nakano   COMPUTER PHYSICS COMMUNICATIONS