451 research outputs found
Contaminant removal using vibrating surfaces: nanoscale insights and a universal scaling law
No full textThe development of active self-cleaning surfaces, i.e. surfaces that remove nanoscale contaminants using external forces such as electric or magnetic fields, is critical to many engineering applications. The use of surface vibrations represents a promising alternative, but the underlying nanoscale physics - in the absence of an intermediate liquid medium - is poorly-understood. We use molecular dynamics simulations to explore the use of ultrahigh-frequency surface acoustic wave devices for contaminant removal. Our simulations reveal that there exists a critical vibrational energy threshold, determined by the amplitude and frequency of the surface vibrations, that must be surpassed to effectively dislodge contaminant particles. We derive a universal scaling law that links the characteristic size of particles to the optimal vibrational parameters required for their removal. This provides a theoretical framework to aid the development of advanced, scalable self-cleaning surfaces, with applications ranging from semiconductors to large-scale industrial systems.
The dataset is related to the publication by Rohit Pillai, David Neilan, Cameron Handel, and Saikat Datta (2025), "Contaminant removal using vibrating surfaces: nanoscale insights and a universal scaling law", Nano Letters
Dynamics of Nanodroplets on Vibrating Surfaces
No full textThis data folder contains the output data from all molecular dynamics simulations carried out in this paper: Pillai, R, Borg, M & Reese, J 2018, 'Dynamics of nanodroplets on vibrating surfaces' Langmuir. DOI: 10.1021/acs.langmuir.8b02066 .This data folder contains the output data from all molecular dynamics simulations carried out in this paper
Nanoscale insights into vibration-induced heterogeneous ice nucleation
No full textAccelerating ice nucleation in confined liquids is desirable in applications like food freezing, cryopreservation, and ice casting, but current techniques have their limitations. The use of high-frequency acoustic waves (AW) is a promising alternative but remains poorly-understood. We employ molecular dynamics simulations to investigate the AW-induced ice nucleation within confined nanopores. By systematically varying vibrational amplitude and frequency, we identify five distinct nucleation regimes, forming a comprehensive regime map that links these parameters to nucleation outcomes. Our simulations reveal that ice nucleation is preceded by formation of ice-like clusters, and is strongly influenced by negative pressure induced by surface vibrations. A strain-based criterion is introduced to generalize the findings to larger lengthscales. This enables us to propose a universal framework for controlling ice formation via surface vibrations in industrial applications. The dataset is related to the publication by Pengxu Chen, Rohit Pillai, and Saikat Datta (2025), "Nanoscale insights into vibration-induced heterogeneous ice nucleation", Nanoscale, https://doi.org/10.1039/D5NR00326A
Impact of surface nanostructure and wettability on interfacial ice physics
No full textLAMMPS data file and input script required to setup and run simulations carried out in the paper: Nikiforidis, Datta, Borg and Pillai, 'Impact of surface nanostructure and wettability on interfacial ice physics', Journal of Chemical Physics
Dynamics of Nanodroplets on Vibrating Surfaces
No full textThis data folder contains the output data from all molecular dynamics simulations carried out in this paper: Pillai, R, Borg, M & Reese, J 2018, 'Dynamics of nanodroplets on vibrating surfaces' Langmuir. DOI: 10.1021/acs.langmuir.8b02066 .Pillai, Rohit; Borg, Matthew; Reese, Jason. (2018). Dynamics of Nanodroplets on Vibrating Surfaces, [dataset]. University of Edinburgh. School of Engineering. Institute of Multiscale Thermofluids. https://doi.org/10.7488/ds/2432
Impact of surface nanostructure and wettability on interfacial ice physics
No full textLAMMPS data file and input script required to setup and run simulations carried out in the paper: Nikiforidis, Datta, Borg and Pillai, 'Impact of surface nanostructure and wettability on interfacial ice physics', Journal of Chemical Physics.Nikiforidis, Vasileios-Martin; Datta, Saikat; Borg, Matthew Karl; Pillai, Rohit. (2021). Impact of surface nanostructure and wettability on interfacial ice physics, [dataset]. University of Edinburgh. School of Science and Engineering. Institute of Multiscale Thermofluids. https://doi.org/10.7488/ds/3221
Untangling the physics of water transport in boron nitride nanotubes
No full textLAMMPS data file and input script required to setup and run simulations carried out in the paper: Mistry, Pillai, Mattia and Borg, 'Untangling the physics of water transport in boron nitride nanotubes', Nanoscale.Mistry, Sritay; Pillai, Rohit; Mattia, Davide; Borg, Matthew. (2021). Untangling the physics of water transport in boron nitride nanotubes, [dataset]. University of Edinburgh. School of Science and Engineering. Institute of Multiscale Thermofluids. https://doi.org/10.7488/ds/3150
Acoustothermal atomization of water nanofilms
No full textThis data folder contains the output data from all molecular dynamics simulations carried
out in this paper: Pillai et al. https://doi.org/10.1103/PhysRevLett.121.104502
Analysing a central implementation of an electronic lab notebook (eLabFTW) at the University of Innsbruck
No full textauthor: Rohit KarthikeyanMasterarbeit University of Innsbruck 202
Analysing a central implementation of an electronic lab notebook (eLabFTW) at the University of Innsbruck
No full textauthor: Rohit KarthikeyanMasterarbeit University of Innsbruck 202
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