Recent developments in the ABINIT software package
ABINIT is a package whose main program allows one to find the total energy, charge
density, electronic structure and many other properties of systems made of electrons and …
density, electronic structure and many other properties of systems made of electrons and …
Characterization of lattice defects in metallic materials by positron annihilation spectroscopy: A review
J Čížek - Journal of Materials Science & Technology, 2018 - Elsevier
Positron is an excellent probe of lattice defects in solids. A thermallized positron delocalized
in lattice can be trapped at open volume defects, eg vacancies, dislocations, grain …
in lattice can be trapped at open volume defects, eg vacancies, dislocations, grain …
Nature and Distribution of Stable Subsurface Oxygen in Copper Electrodes During Electrochemical CO2 Reduction
Oxide-derived copper (OD-Cu) electrodes exhibit higher activity than pristine copper during
the carbon dioxide reduction reaction (CO2RR) and higher selectivity toward ethylene. The …
the carbon dioxide reduction reaction (CO2RR) and higher selectivity toward ethylene. The …
Kinetics of natural aging in Al-Mg-Si alloys studied by positron annihilation lifetime spectroscopy
J Banhart, MDH Lay, CST Chang, AJ Hill - Physical Review B—Condensed …, 2011 - APS
The process of natural aging in pure ternary Al-Mg-Si alloys was studied by positron
annihilation lifetime spectroscopy in real time in order to clarify the sequence and kinetics of …
annihilation lifetime spectroscopy in real time in order to clarify the sequence and kinetics of …
Segregation of Ni at early stages of radiation damage in NiCoFeCr solid solution alloys
Defect evolution under irradiation is investigated in a set of single-phase concentrated solid
solution alloys (SP-CSAs) containing Ni with Co, Fe and/or Cr. We show that atomic …
solution alloys (SP-CSAs) containing Ni with Co, Fe and/or Cr. We show that atomic …
A combined experimental and theoretical study of small and large vacancy clusters in tungsten
Tungsten is considered to be used in the future fusion reactors as plasma-facing material. In
such extreme environments, defects are induced in materials that modify their macroscopic …
such extreme environments, defects are induced in materials that modify their macroscopic …
Revealing the role of oxygen on the defect evolution of electron-irradiated tungsten: A combined experimental and simulation study
The evolution of Frenkel pairs has been studied experimentally and theoretically in tungsten,
a Body-Centered Cubic metal. We used positron annihilation spectroscopy to characterize …
a Body-Centered Cubic metal. We used positron annihilation spectroscopy to characterize …
Effect of interstitial carbon on the evolution of early-stage irradiation damage in equi-atomic FeMnNiCoCr high-entropy alloys
Owing to their excellent radiation tolerance, some of the high-entropy alloys (HEAs) are
considered as potential candidates for structural materials in extreme conditions. In order to …
considered as potential candidates for structural materials in extreme conditions. In order to …
Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and …
Many techniques have been developed in the past in order to compute positron lifetimes in
materials from first principles. However, there is still a lack of a fast and accurate self …
materials from first principles. However, there is still a lack of a fast and accurate self …
Influence of electric field on the quenched-in vacancy and solute clustering during early stage ageing of Al-Cu alloy
S Fu, Y Zhang, H Liu, D Yi, B Wang, Y Jiang… - Journal of Materials …, 2018 - Elsevier
The effects of electric field on the evolution of excess quenched-in vacancy as well as solute
clustering in Al-4wt% Cu alloy, and on the vacancy migration and formation enthalpy of pure …
clustering in Al-4wt% Cu alloy, and on the vacancy migration and formation enthalpy of pure …