The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic fcc Ni

The Significance of Entropy in Grain Boundary Segregation

(2019) Pavel Lejček et al.   Materials

Atomistic approaches to cleavage of interfaces

(2019) Miroslav Černý et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

An embedded-atom method potential parameterized for sulfur-induced embrittlement of nickel

(2019) Doruk Aksoy et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Toward a better understanding of the enhancing/embrittling effects of impurities in Nickel grain boundaries

(2019) El Tayeb Bentria et al.   Scientific Reports

Recent trends and open questions in grain boundary segregation

(2018) Pavel Lejček et al.   JOURNAL OF MATERIALS RESEARCH

Hydrogen trapping at divacancies and impurity-vacancy complexes in nickel: First principles study

(2017) Arsen V. Subashiev et al.   JOURNAL OF NUCLEAR MATERIALS

Segregation of sp-impurities at grain boundaries and surfaces: comparison of fcc cobalt and nickel

(2017) M Všianská et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Interfacial segregation and grain boundary embrittlement: An overview and critical assessment of experimental data and calculated results

(2017) Pavel Lejček et al.   PROGRESS IN MATERIALS SCIENCE

Ab initio tensile tests of grain boundaries in the fcc crystals of Ni and Co with segregated sp -impurities

(2016) M. Černý et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion

(2015) V.I. Razumovskiy et al.   ACTA MATERIALIA

Effects of rare-earth on the cohesion of Ni Σ5 (0 1 2) grain boundary from first-principles calculations

(2015) Wenguan Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles nickel database: Energetics of impurities and defects

(2015) Damien Connétable et al.   COMPUTATIONAL MATERIALS SCIENCE

The Effect of Aluminum on Microstructure and Mechanical Properties of ATI 718Plus Alloy

(2015) Minqing Wang et al.   MATERIALS TRANSACTIONS

Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading

(2015) P Řehák et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Effect of helium and vacancies in a vanadium grain boundary by first-principles

(2015) Pengbo Zhang et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Stability of vacancy-hydrogen clusters in nickel from first-principles calculations

(2014) Döme Tanguy et al.   ACTA MATERIALIA

Ab initiostudy of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies

(2014) R. Nazarov et al.   PHYSICAL REVIEW B

Transmission electron microscopy/electron energy loss spectroscopy measurements andab initiocalculation of local magnetic moments at nickel grain boundaries

(2014) Kyosuke Hirayama et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Grain Boundary Segregation of Interstitial and Substitutional Impurity Atoms in Alpha-Iron

(2013) M. Rajagopalan et al.   JOM

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

First-principles study of sulfur multi-absorption in nickel and its segregation to the Ni(100) and Ni(111) surfaces

(2013) Dmytro Kandaskalov et al.   SURFACE SCIENCE

Diffusion and segregation of niobium in fcc-nickel

(2012) Damien Connétable et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Diffusion and segregation of silver in copperΣ5(310) grain boundary

(2012) Sergiy V. Divinski et al.   PHYSICAL REVIEW B

Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low

(2012) Pavel Lejček et al.   SCRIPTA MATERIALIA

Magnetically dead layers atsp-impurity-decorated grain boundaries and surfaces in nickel

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

The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel

(2011) M. Všianská et al.   PROGRESS IN MATERIALS SCIENCE

Positron annihilation in vacancies at grain boundaries in metals

(2008) J. Kuriplach et al.   APPLIED SURFACE SCIENCE

Effect of applied stress on vacancy segregation near the grain boundary in nickel

(2008) W. Xiao et al.   JOURNAL OF APPLIED PHYSICS

First-principles study of magnetism at grain boundaries in iron and nickel

(2008) Miroslav Čák et al.   PHYSICAL REVIEW B