https://ogma.newcastle.edu.au/vital/access/ /manager/Index ${session.getAttribute("locale")} 5 A unified analytical approach to fixed and moving boundary problems for the heat equation https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:45163 Wed 26 Oct 2022 14:12:32 AEDT ]]> Continuum Modeling with Functional Lennard–Jones Parameters for DNA-Graphene Interactions https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:53475 Wed 21 Feb 2024 14:57:04 AEDT ]]> Modelling carbon nanocones for selective filter https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:40938 Wed 20 Jul 2022 12:27:21 AEST ]]> Modeling interactions between graphene and heterogeneous molecules https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:40934 Wed 20 Jul 2022 12:20:32 AEST ]]> Dynamical response of a floating plate to water waves using a smoothed particle hydrodynamics algorithm for nonlinear elasticity https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:46973 Wed 15 May 2024 12:48:37 AEST ]]> Diffusion of electron density in dye-sensitized solar cells https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:51062 Wed 15 May 2024 09:26:45 AEST ]]> Modelling locust foraging: How and why food affects group formation https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:43933 Wed 05 Oct 2022 12:44:23 AEDT ]]> Continuum modelling for interacting coronene molecules with a carbon nanotube https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:38908 Wed 02 Mar 2022 13:02:14 AEDT ]]> Mechanics and dynamics of lysozyme immobilisation inside nanotubes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:47820 Wed 01 Feb 2023 10:33:49 AEDT ]]> Continuum modeling with functional Lennard-Jones parameters for methane storage inside various carbon nanostructures https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:50834 Tue 30 Apr 2024 09:47:41 AEST ]]> Modeling Ultrafast Transport of Water Clusters in Carbon Nanotubes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:54443 Tue 27 Feb 2024 14:00:33 AEDT ]]> Conformation of graphene folding around single-walled carbon nanotubes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:32825 Tue 03 Sep 2019 17:55:33 AEST ]]> Wave interaction and overwash with a flexible plate by smoothed particle hydrodynamics https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:45326 Thu 27 Oct 2022 08:30:08 AEDT ]]> Smoothed particle hydrodynamics simulations for wave induced ice floe melting https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:52753 Thu 26 Oct 2023 09:17:15 AEDT ]]> A variational model for conformation of graphene wrinkles formed on a shrinking solid metal substrate https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:44459 Thu 13 Oct 2022 15:20:25 AEDT ]]> A smoothed particle hydrodynamics study on effect of coarse aggregate on self-compacting concrete flows https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:46045 Thu 10 Nov 2022 09:08:00 AEDT ]]> Numerical Simulations For Largely Deformed Beams and Rings Adopting a Nontensile Smoothed Particle Hydrodynamics Algorithm https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:54647 Thu 07 Mar 2024 15:27:26 AEDT ]]> Critical sizes for PET cylindrical and hourglass shaped pores for selective ion channels https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:51063 Thu 02 May 2024 11:51:04 AEST ]]> Numerical solutions to a fractional diffusion equation used in modelling dye-sensitized solar cells https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:44338 Mon 29 Jan 2024 18:50:58 AEDT ]]> Interacting Ru(bpy)2+ 3 dye molecules and TiO2 semiconductor in dye-sensitized solar cells https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:40138 2). In this paper, we formulate a continuum model for the interaction between the dye molecule Tris(2,2′-bipyridyl)ruthenium(II) (Ru(bpy)²₃⁺) and titanium dioxide (TiO₂) semiconductor. We obtain the equilibrium position at the minimum energy position between the dye molecules and between the dye and TiO₂ nanoporous structure. Our main outcome is an analytical expression for the energy of the two molecules as a function of their sizes. We also show that the interaction energy obtained using the continuum model is in close agreement with molecular dynamics simulations.]]> Mon 29 Jan 2024 17:45:34 AEDT ]]> Pneumatic Conveying https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:53144 Fri 17 Nov 2023 12:03:23 AEDT ]]> Catalytic effect of graphene on the inversion of corannulene using a continuum approach with the Lennard-Jones potential https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:53181 Fri 17 Nov 2023 11:39:31 AEDT ]]> Exploring nonlinear diffusion equations for modelling dye-sensitized solar cells https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:49708 Fri 02 Jun 2023 12:01:07 AEST ]]>