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Research Output

2018

Brute force composition scanning with a CALPHAD database to find low temperature body centered Cubic High Entropy alloys

Klaver, T. P. C., Simonovic, D. & Sluiter, M. H. F., 2018, In : Entropy. 20, 12, 18 p., 911.

Research output: Contribution to journalArticleScientificpeer-review

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23 Downloads (Pure)

Cohesive laws for shearing of iron/precipitate interfaces

Elzas, A., Klaver, T. P. C. & Thijsse, B. J., 2018, In : Computational Materials Science. 152, p. 417-429

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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3 Citations (Scopus)
2 Downloads (Pure)
2017

MD and BCA simulations of He and H bombardment of fuzz in bcc elements

Klaver, P., Zhang, S. & Nordlund, K., 2017, In : Journal of Nuclear Materials. 492, p. 113-121

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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8 Citations (Scopus)
18 Downloads (Pure)
2016

Inconsistencies in modelling interstitials in FeCr with empirical potentials

Klaver, P., del Rio, E., Bonny, G., Eich, S. M. & Caro, A., 2016, In : Computational Materials Science. 121, p. 204-208

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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2 Citations (Scopus)
20 Downloads (Pure)

Molecular dynamics simulations of ballistic He penetration into W fuzz

Klaver, T. P. C., Nordlund, K., Morgan, T. W., Westerhof, E., Thijsse, B. J. & Van De Sanden, M. C. M., 2016, In : Nuclear Fusion. 56, 12, 15 p., 126015.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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14 Citations (Scopus)
28 Downloads (Pure)
2015

Molecular dynamics simulation of graphene on Cu (1 0 0) and (1 1 1) surfaces

Klaver, TPC., Zhu, S., Sluiter, MHF. & Janssen, GCAM., 2015, In : Carbon. 82, p. 538-547 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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23 Citations (Scopus)
44 Downloads (Pure)
2014

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

Piochaud, JB., Klaver, TPC., Adjanor, G., Olsson, P., Domain, C. & Becquart, CS., 2014, In : Physical Review B (Condensed Matter and Materials Physics). 89, p. 024101-1-024101-15

Research output: Contribution to journalArticleScientificpeer-review

Open Access
24 Citations (Scopus)

Interaction of minor alloying elements of high-Cr ferritic steels with lattice defects: An an initio study

Bakaev, A., Terentyev, D., Bonny, G., Klaver, TPC., Olsson, P. & Van Neck, D., 2014, In : Journal of Nuclear Materials. 444, 1 - 3, p. 237-246 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
32 Citations (Scopus)
2013

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

Bonny, G., Castin, N., Bullens, J., Bakaev, A., Klaver, TPC. & Terentyev, D., 2013, In : Journal of Physics: Condensed Matter. 25, p. 1-12 12 p.

Research output: Contribution to journalArticleScientificpeer-review

17 Citations (Scopus)
2012

A DFT study of formation energies of Fe-Zn-Al intermetallics and solutes

Klaver, TPC., Madsen, GKH. & Drautz, R., 2012, In : Intermetallics. 31, p. 137-144 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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9 Citations (Scopus)
45 Downloads (Pure)

Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles

Klaver, TPC., Hephburn, DJ. & Ackland, GJ., 2012, In : Physical Review B (Condensed Matter and Materials Physics). B85, p. 1-23 23 p.

Research output: Contribution to journalArticleScientificpeer-review

44 Citations (Scopus)
2011

DFT study of 1,3-dimethylimidazolium tetrafluoroborate on Al and Cu(111) surfaces

Klaver, TPC., Luppi, M., Sluiter, MHF., Kroon, MC. & Thijsse, BJ., 2011, In : The Journal of Physical Chemistry C. p. 14718-14730 13 p.

Research output: Contribution to journalArticleScientificpeer-review

11 Citations (Scopus)
2010

Ab initio study of solute transition-metal interactions with point defects in bcc Fe

Olsson, P., Klaver, TPC. & Domain, C., 2010, In : Physical Review B (Condensed Matter and Materials Physics). 81, p. 054102-1-054102-12

Research output: Contribution to journalArticleScientificpeer-review

147 Citations (Scopus)

Benchmarking FeCr empirical potentials against density functional theory data

Klaver, TPC., Bonny, G., Olsson, P. & Terentyev, D., 2010, In : Modelling and Simulation in Materials Science and Engineering. 18, 7, p. 1-16 16 p., 075004.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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15 Citations (Scopus)
17 Downloads (Pure)

Microstructure of a Cu film grown on bcc Ta (100) by large-scale molecular-dynamics simulations

Lazic, I., Klaver, TPC. & Thijsse, BJ., 2010, In : Physical Review B (Condensed Matter and Materials Physics). 81, p. 045410-1-045410-13

Research output: Contribution to journalArticleScientificpeer-review

13 Citations (Scopus)
2005

Density Functional Theory study of alloy element interstitials in Al

Klaver, TPC. & Chen, JH., 2005, In : Journal of Computer-Aided Materials Design. 10, 3, p. 155-162 8 p.

Research output: Contribution to journalArticleScientificpeer-review

7 Citations (Scopus)
2004

Atomistic simulation of Cu/Ta thin film deposition and other phenomena

Klaver, TPC., 2004, Delft. 81 p.

Research output: ThesisDissertation (TU Delft)

Molecular dynamics simulation of silicon sputtering: sensitivity to the choice of potential

Thijsse, BJ., Klaver, TPC. & Haddeman, EFC., 2004, In : Applied Surface Science. 231-232, p. 29-38 10 p.

Research output: Contribution to journalArticleScientificpeer-review

21 Citations (Scopus)
2003

Current-induced transition in atomic-sized contacts of metallic alloys

Heemskerk, JWT., Noat, Y., Bakker, DJ., van Ruitenbeek, JM., Thijsse, BJ. & Klaver, TPC., 2003, In : Physical Review B (Condensed Matter and Materials Physics). 67, 11, p. 115516-1-115416-5

Research output: Contribution to journalArticleScientificpeer-review

26 Citations (Scopus)

Density functional theory of alloy interstitials in Al

Klaver, TPC. & Chen, JH., 2003.

Research output: Contribution to conferencePosterProfessional

Density functional theory study of Al alloy interstitials

Klaver, TPC., 2003, Delft: NIMR. 1 p.

Research output: Book/ReportReportScientific

Density functional thery study of Al alloy interstitials

Klaver, TPC. & Chen, JH., 2003, Utrecht: FOM-Utrecht. 1 p.

Research output: Book/ReportReportScientific

Exploring atomic environments by DFT quantum calculations for contructing improved Si potentials

Thijsse, BJ. & Klaver, TPC., 2003.

Research output: Contribution to conferencePosterProfessional

Molecular dynamics simulations of Cu/Ta and Ta/Cu thin film growth

Klaver, TPC. & Thijsse, BJ., 2003, In : Journal of Computer-Aided Materials Design. 20, p. 61-74 14 p.

Research output: Contribution to journalArticleScientificpeer-review

18 Citations (Scopus)

The interaction of N with atomically dispersed Ti, V, Cr, Mo and Ni in ferritic steel

Kamminga, JD., Klaver, TPC., Nakata, K., Thijsse, BJ. & Janssen, GCAM., 2003, In : Journal of Computer-Aided Materials Design. 10, 1-11, p. 1-11 11 p.

Research output: Contribution to journalArticleScientificpeer-review

17 Citations (Scopus)
2002

Molecular Dynamics simulation of Cu deposition on beta-Ta

Klaver, TPC. & Thijsse, BJ., 2002.

Research output: Contribution to conferencePosterProfessional

Molecular dynamics study of Cu thin films deposition on beta-Ta

Klaver, TPC. & Thijsse, BJ., 2002, Mat.Res.Soc.Proc.. DeHaven, P. W., Field, D. P., Harkness IV, S. D., Sutliff, J. A., Szpunar, J. A., Tang, L., Thomson, T. & Vaudin, M. D. (eds.). Warrendale: Materials Research Society, p. 37-42 6 p.

Research output: Chapter in Book/Conference proceedings/Edited volumeConference contributionScientificpeer-review

Nitrogen changes in thin Cu films on Mo

Kamminga, J-D., Klaver, TPC. & Janssen, GCAM., 2002.

Research output: Contribution to conferencePosterProfessional

Thin Ta films: growth, stability, and diffusion studied by molecular-dynamics simulations

Klaver, TPC. & Thijsse, BJ., 2002, In : Thin Solid Films. 413, p. 110-120 11 p.

Research output: Contribution to journalArticleScientificpeer-review

25 Citations (Scopus)