0000000000866661

AUTHOR

D. Terentyev

showing 3 related works from this author

Elastic properties of the sigma W-Re phase: A first principles investigation

2017

Abstract We perform density functional theory (DFT) calculations to obtain the formation enthalpy and six independent elastic constants for the 32 possible occupations of the five non-equivalent sites of the σ -phase. The obtained results suggest linear correlation between bulk modulus and Re concentration and between shear modulus and formation enthalpy. The results are used to parameterize a sublattice model with ideal mixing on each sublattice for the free energy and elastic constants. The model allows one to predict the equilibrium composition on each sublattice and hence elastic constants as a function of global Re concentration and temperature of the W-Re alloy.

010302 applied physicsBulk modulusMaterials scienceMechanical EngineeringEnthalpyMetals and AlloysThermodynamicsSigma02 engineering and technologyFunction (mathematics)021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesShear modulusMechanics of MaterialsPhase (matter)0103 physical sciencesGeneral Materials ScienceDensity functional theory0210 nano-technologyMixing (physics)Scripta Materialia
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Plasma-wall interaction studies within the EUROfusion consortium: Progress on plasma-facing components development and qualification

2017

This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

plasma-facing components ; plasma-surface interaction ; power exhaust ; particle exhaust ; tungsten ; berylliumNuclear and High Energy PhysicstungstenNuclear engineeringPlasma surface interactionparticle exhaustplasma-facing components01 natural sciences114 Physical sciences010305 fluids & plasmas0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]ddc:530beryllium; particle exhaust; plasma-facing components; plasma-surface interaction; power exhaust; tungsten; Nuclear and High Energy Physics; Condensed Matter Physics010306 general physicsplasma-surface interaction;particle exhaust;tungsten;beryllium;power exhaust;plasma-facing componentspower exhaustPhysicsPlasma16. Peace & justiceberylliumCondensed Matter PhysicsInteraction studiesEnvironmental science[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]plasma-surface interaction
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Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

2019

The interaction of carbon atoms with point defects and the core of edge and screw dislocations with Burgers vector a 0 / 2 ⟨ 111 ⟩ in W and a W-Re matrix is studied by means of ab initio calculations. The structure and energetics of the ground-state atomic configurations are presented and rationalized. It is found that di-vacancies, which are thermally unstable in pure W according to the state-of-the-art ab initio calculations, can nucleate at C and Re-C complexes, which fill the gap in the explanation of the emergence of nanovoids observed experimentally under irradiation. Also, on the basis of the recent experimental evidence and our calculations, the temperature ranges for the manifestat…

010302 applied physicsMaterials scienceNucleationAb initiochemistry.chemical_elementGeneral Physics and Astronomy02 engineering and technologyTungsten021001 nanoscience & nanotechnology01 natural sciencesCrystallographic defectMolecular physicsCondensed Matter::Materials SciencechemistryImpurityAb initio quantum chemistry methods0103 physical sciencesDislocation0210 nano-technologyBurgers vector
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