Browsing by Author "Pakarinen, Olli H."

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Imaging the real shape of nanoclusters in scanning force microscopy
(2008) Pakarinen, Olli H.; Barth, Clemens; Foster, Adam S.; Henry, Claude R.
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
A quantitative comparison between experiment and theory is given for the constant height mode imaging of metal nanoclusters in dynamic scanning force microscopy. We explain the fundamental mechanisms in the contrast formation with the help of the system Pd/MgO(001). The comparison shows that the shape and size of nanoclusters are precisely imaged due to the sharpness of the tip’s last nanometer. This quantitative comparison proves our previously proposed model for the contrast formation.
Liquid Water and Interfacial, Cubic, and Hexagonal Ice Classification through Eclipsed and Staggered Conformation Template Matching
(2021-04-22) Roudsari, Golnaz; Veshki, Farshad G.; Reischl, Bernhard; Pakarinen, Olli H.
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
We propose a novel method based on template matching for the recognition of liquid water, cubic ice (ice Ic), hexagonal ice (ice Ih), clathrate hydrates, and different interfacial structures in atomistic and coarse-grained simulations of water and ice. The two template matrices represent staggered and eclipsed conformations, which are the building blocks of hexagonal and cubic ice and clathrate crystals. The algorithm is rotationally invariant and highly robust against imperfections in the ice structure, and its sensitivity for recognizing ice-like structures can be tuned for different applications. Unlike most other algorithms, it can discriminate between cubic, hexagonal, clathrate, mixed, and other interfacial ice types and is therefore well suited to study complex systems and heterogeneous ice nucleation.