Searched for: author:"Klaver, T.P.C."
(1 - 12 of 12)
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Elzas, A. (author), Klaver, T.P.C. (author), Thijsse, B.J. (author)
The behaviour of 11 differently oriented iron-precipitate interfaces under a shear load is studied with molecular dynamics simulations. We find that the behaviour depends not only on the interface orientation but also on the shear direction. Furthermore, for many interfaces the presence of a dislocation at the interface triggers a structure...
journal article 2018
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Klaver, T.P.C. (author), Simonovic, D. (author), Sluiter, M.H.F. (author)
We used the Thermo-Calc High Entropy Alloy CALPHAD database to determine the stable phases of AlCrMnNbTiV, AlCrMoNbTiV, AlCrFeTiV and AlCrMnMoTi alloys from 800 to 2800 K. The concentrations of elements were varied from 1-49 atom%. A five- or six-dimensional grid is constructed, with stable phases calculated at each grid point. Thermo-Calc...
journal article 2018
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Klaver, T.P.C. (author), Zhang, S. (author), Nordlund, K. (author)
We present results of MD simulations of low energy He ion bombardment of low density fuzz in bcc elements. He ions can penetrate several micrometers into sparse fuzz, which allows for a sufficient He flux through it to grow the fuzz further. He kinetic energy falls off exponentially with penetration depth. A BCA code was used to carry out the...
journal article 2017
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Klaver, T.P.C. (author), Nordlund, K. (author), Morgan, T. W. (author), Westerhof, E. (author), Thijsse, B.J. (author), Van De Sanden, M. C M (author)
Results are presented of large-scale Molecular Dynamics simulations of low-energy He bombardment of W nanorods, or so-called 'fuzz' structures. The goal of these simulations is to see if ballistic He penetration through W fuzz offers a more realistic scenario for how He moves through fuzz layers than He diffusion through fuzz nanorods....
journal article 2016
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Klaver, T.P.C. (author), del Rio, E. (author), Bonny, G (author), Eich, S.M. (author), Caro, A. (author)
We present empirical potential and Density Functional Theory results of interstitials in FeCr and pure Cr. Results show that potentials for the original and revised two-band model, a recently introduced third two-band model, and for the revised concentration-dependent model produce errors of up to multiple eV in formation and binding energies...
journal article 2016
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Klaver, T.P.C. (author), Zhu, S. (author), Sluiter, M.H.F. (author), Janssen, G.C.A.M. (author)
journal article 2015
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Piochaud, J.B. (author), Klaver, T.P.C. (author), Adjanor, G. (author), Olsson, P. (author), Domain, C. (author), Becquart, C.S. (author)
The influence of the local environment on vacancy and self-interstitial formation energies has been investigated in a face-centered-cubic (fcc) Fe-10Ni-20Cr model alloy by analyzing an extensive set of first-principle calculations based on density functional theory. Chemical disorder has been considered by designing special quasirandom...
journal article 2014
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Klaver, T.P.C. (author), Hepburn, D.J. (author), Ackland, G.J. (author)
We present results of an extensive set of first-principles density functional theory calculations of point defect formation, binding, and clustering energies in austenitic Fe with dilute concentrations of Cr and Ni solutes. A large number of possible collinear magnetic structures were investigated as appropriate reference states for austenite....
journal article 2012
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Klaver, T.P.C. (author), Madsen, GKH (author), Drautz, R (author)
journal article 2012
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Olsson, P. (author), Klaver, T.P.C. (author), Domain, C. (author)
The properties of 3d, 4d, and 5d transition-metal elements in ?-Fe have been studied using ab initio density-functional theory. The intrinsic properties of the solutes have been characterized as well as their interaction with point defects. Vacancies and interstitials of (110) and (111) orientations have been considered in order to discern...
journal article 2010
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Klaver, T.P.C. (author), Bonny, G (author), Olsson, P (author), Terentyev, D (author)
journal article 2010
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Klaver, T.P.C. (author)
Tantalum (Ta) is a metal with good properties to act as a diffusion barrier material in computer chips, where it should prevent the mixing of Cu into Si and SiO. The deposition of thin Cu films onto various Ta substrates has been studied through molecular dynamics simulations, using either empirical EAM potentials or Density Functional Theory ...
doctoral thesis 2004
Searched for: author:"Klaver, T.P.C."
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