Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys

Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

(2017) Shijun Zhao et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Radiation damage buildup and dislocation evolution in Ni and equiatomic multicomponent Ni-based alloys

(2017) E. Levo et al.   JOURNAL OF NUCLEAR MATERIALS

Point defect properties of ternary fcc Fe-Cr-Ni alloys

(2017) J.S. Wróbel et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

(2016) Laurent Karim Béland et al.   ACTA MATERIALIA

Damage accumulation in ion-irradiated Ni-based concentrated solid-solution alloys

(2016) Mohammad W. Ullah et al.   ACTA MATERIALIA

Specific features of defect and mass transport in concentrated fcc alloys

(2016) Yuri N. Osetsky et al.   ACTA MATERIALIA

Features of primary damage by high energy displacement cascades in concentrated Ni-based alloys

(2016) Laurent Karim Béland et al.   JOURNAL OF APPLIED PHYSICS

Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys

(2016) Yanwen Zhang et al.   JOURNAL OF MATERIALS RESEARCH

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2

(2016) Shijun Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys

(2016) F. Granberg et al.   PHYSICAL REVIEW LETTERS

Effects of two-temperature model on cascade evolution in Ni and NiFe

(2016) Eva Zarkadoula et al.   SCRIPTA MATERIALIA

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

(2016) Chenyang Lu et al.   Nature Communications

Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity

(2016) K. Jin et al.   Scientific Reports

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

(2015) Dilpuneet S. Aidhy et al.   ACTA MATERIALIA

Interstitial loop transformations in FeCr

(2015) Laurent Karim Béland et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Ab initio molecular dynamics investigations of low-energy recoil events in Ni and NiCo

(2015) Bin Liu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initioprediction of vacancy properties in concentrated alloys: The case of fcc Cu-Ni

(2015) Xi Zhang et al.   PHYSICAL REVIEW B

Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys

(2015) E. K. Delczeg-Czirjak et al.   PHYSICAL REVIEW B

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

(2015) Yanwen Zhang et al.   Nature Communications

Segregation and migration of species in the CrCoFeNi high entropy alloy

(2014) S.C. Middleburgh et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Contribution of the entropy on the thermodynamic equilibrium of vacancies in nickel

(2014) Arnaud Metsue et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy

(2014) J. B. Piochaud et al.   PHYSICAL REVIEW B

High-Entropy Alloys: A Critical Review

(2014) Ming-Hung Tsai et al.   Materials Research Letters

Ab initio molecular dynamics simulation of interstitial diffusion in Ni–Cr alloys and implications for radiation induced segregation

(2013) L. Barnard et al.   JOURNAL OF NUCLEAR MATERIALS

On the mobility of vacancy clusters in reduced activation steels: an atomistic study in the Fe–Cr–W model alloy

(2013) G Bonny et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy

(2013) G Bonny et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Correlated recombination and annealing of point defects in dilute and concentrated Fe–Cr alloys

(2012) D Terentyev et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiodescription of monovacancies in paramagnetic austenitic Fe-Cr-Ni alloys

(2012) L. Delczeg et al.   PHYSICAL REVIEW B

Magnetic and vibrational properties of high-entropy alloys

(2011) M. S. Lucas et al.   JOURNAL OF APPLIED PHYSICS

Assessment of radiation-induced segregation mechanisms in austenitic and ferritic–martensitic alloys

(2011) Gary S. Was et al.   JOURNAL OF NUCLEAR MATERIALS

Phase stability, point defects, and elastic properties of W-V and W-Ta alloys

(2011) M. Muzyk et al.   PHYSICAL REVIEW B

Simulating complex atomistic processes: On-the-fly kinetic Monte Carlo scheme with selective active volumes

(2011) Haixuan Xu et al.   PHYSICAL REVIEW B

Kinetic activation-relaxation technique

(2011) Laurent Karim Béland et al.   PHYSICAL REVIEW E

Calculation of proper energy barriers for atomistic kinetic Monte Carlo simulations on rigid lattice with chemical and strain field long-range effects using artificial neural networks

(2010) N. Castin et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio-based diffusion theory and tracer diffusion in Ni–Cr and Ni–Fe alloys

(2010) J.D. Tucker et al.   JOURNAL OF NUCLEAR MATERIALS

Formation energy of vacancies in FeCr alloys: Dependence on Cr concentration

(2010) Emma del Rio et al.   JOURNAL OF NUCLEAR MATERIALS

Further development of large-scale atomistic modelling techniques for Fe–Cr alloys

(2010) D. Terentyev et al.   JOURNAL OF NUCLEAR MATERIALS

Multiscale modelling of radiation damage and phase transformations: The challenge of FeCr alloys

(2008) Lorenzo Malerba et al.   JOURNAL OF NUCLEAR MATERIALS