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Elzas, A. (author), Thijsse, B.J. (author)The behaviour of 11 differently oriented iron-precipitate interfaces under mixed loading conditions is studied with molecular dynamics simulations. We find that the interface structure and the change in this structure play a key role in the response to the loading. The structure change is influenced by both the loading history and the loading...journal article 2019
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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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Dikken, R.J. (author), Thijsse, B.J. (author), Nicola, L. (author)The friction behavior of atomically stepped metal surfaces under contact loading is studied using molecular dynamics simulations. While real rough metal surfaces involve roughness at multiple length scales, the focus of this paper is on understanding friction of the smallest scale of roughness: atomic steps. To this end, periodic stepped Al...journal article 2017
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- Verners, O. (author), Thijsse, B.J. (author), van Duin, Adri C.T. (author), Simone, A. (author) journal article 2016
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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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Pilania, G. (author), Thijsse, B.J. (author), Hoagland, R.G. (author), Lazic, I. (author), Valone, S.M. (author), Liu, X.Y. (author)We study the coherent and semi-coherent Al/?-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation...journal article 2014
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Mees, M.J. (author), Pourtois, G. (author), Neyts, E.C. (author), Thijsse, B.J. (author), Stesmans, A. (author)Monte Carlo (MC) methods have a long-standing history as partners of molecular dynamics (MD) to simulate the evolution of materials at the atomic scale. Among these techniques, the uniform-acceptance force-bias Monte Carlo (UFMC) method [ G. Dereli Mol. Simul. 8 351 (1992)] has recently attracted attention [ M. Timonova et al. Phys. Rev. B 81...journal article 2012
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Fang, C.M. (author), Van Huis, M.A. (author), Thijsse, B.J. (author), Zandbergen, H.W. (author)Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and...journal article 2012
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Sadeghian, H. (author), Goosen, H. (author), Bossche, A. (author), Thijsse, B. (author), Van Keulen, F. (author)Recent measurements have indicated that the elastic behaviour of silicon nanocantilevers and nanowires is size-dependent. Several theoretical models have been proposed to explain this phenomenon, mainly focused on surface stress effects. However, discrepancies are found between experiments and theories, indicating that there could be other...journal article 2011
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De Rooij-Lohmann, V.I.T.A. (author), Veldhuizen, L.W. (author), Zoethout, E. (author), Yakshin, A.E. (author), Van de Kruijs, R.W.E. (author), Thijsse, B.J. (author), Gorgoi, M. (author), Schäfers, F. (author), Bijkerk, F. (author)To enhance the thermal stability, B4C diffusion barrier layers are often added to Mo/Si multilayer structures for extreme ultraviolet optics. Knowledge about the chemical interaction between B4C and Mo or Si, however is largely lacking. Therefore, the chemical processes during annealing up to 600?°C of a Mo/B4C/Si layered structure have been...journal article 2010
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Timonova, M. (author), Groenewegen, J. (author), Thijsse, B.J. (author)The uniform-acceptance force-bias Monte Carlo (UFMC) method [G. Dereli, Mol. Simul. 8, 351 (1992)] is a little-used atomistic simulation method that has strong potential as alternative or complementary technique to molecular dynamics (MD). We have applied UFMC to surface diffusion, amorphization, melting, glass transition, and crystallization,...journal article 2010
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Lazi?, I. (author), Klaver, P. (author), Thijsse, B. (author)Molecular-dynamics simulations using embedded atom method potentials were carried out to study the growth and subsequent annealing of a 6.3 monolayer thick Cu film on a bcc-Ta (100) substrate of a very large area (100×100?nm2). The purpose is to obtain, for this typical example of a crystallographically incompatible system, atomic-level insight...journal article 2010
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Venugopal, V. (author), Thijsse, B.J. (author)Defects of ultrathin Cu films (3–200 Å) deposited on Mo(1 1 0) at room temperature by e-beam evaporation in ultra-high vacuum are investigated using thermal helium desorption spectrometry. The samples are analysed with both 75 and 1000 eV He+ implantation. Cu films transform into islands on annealing and the temperature of this transformation is...journal article 2009
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Abbate, G. (author), Kleijn, C.R. (author), Thijsse, B.J. (author), Engeln, R. (author), Van de Sanden, M.C.M. (author), Schram, D.C. (author)The gas dynamics of a stationary hot-gas jet supersonically expanding into a low pressure environment is studied through numerical simulations. A hybrid coupled continuum-molecular approach is used to model the flow field. Due to the low pressure and high thermodynamic gradients, continuum mechanics results are doubtful, while, because of its...journal article 2008
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Thijsse, B.J. (author), Rust, B.W. (author)The method described here separates signal (trend) from noise in a set of measured bivariate data when there is no mathematical model for that signal. A computer program called spline2 implements the algorithm, which the authors apply to laboratory and realworld example problems.journal article 2008
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- Yuan, C. (author), Van Der Sluis, O. (author), Zhang, G.Q. (author), Ernst, L.J. (author), Van Driel, W.D. (author), Van Silfhout, R.B.R. (author), Thijsse, B.J. (author) conference paper 2007
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- Bos, C. (author), Sietsma, J. (author), Thijsse, B.J. (author) journal article 2006
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Venugopal, V. (author), Seijbel, L.J. (author), Thijsse, B.J. (author)Thermal helium desorption spectrometry (THDS) has been used for the investigation of defects and thermal stability of thin Cu films (5–200?Å) deposited on a polycrystalline Mo substrate in ultrahigh vacuum. These films are metastable at room temperature. On heating, the films transform into islands, giving rise to a relatively broad peak in the...journal article 2005
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- Hess, B. (author), Thijsse, B.J. (author), van der Giessen, E. (author) journal article 2005
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- Heemskerk, J.W.T (author), Noat, Y. (author), Bakker, D.J. (author), van Ruitenbeek, J.M. (author), Thijsse, B.J. (author), Klaver, P. (author) journal article 2003