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Brownian shape dynamics in fission [PDF]
EPJ Web of Conferences, 2013 It was recently shown that remarkably accurate fission-fragment mass distributions are obtained by treating the nuclear shape evolution as a Brownian walk on previously calculated five-dimensional potentialenergy surfaces; the current status of this ...
Randrup Jørgen, Möller Peter
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From Molecular Dynamics to Brownian Dynamics [PDF]
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2014 Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analysing multi-scale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD) simulations in the remainder of the domain. The first MD model is formulated in one spatial dimension.
Radek Erban
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Adaptive Brownian Dynamics [PDF]
The Journal of Chemical Physics, 2021 A framework for performant Brownian Dynamics (BD) many-body simulations with adaptive timestepping is presented. Contrary to the Euler-Maruyama scheme in common non-adaptive BD, we employ an embedded Heun-Euler integrator for the propagation of the overdamped coupled Langevin equations of motion.
Florian Sammüller, Matthias Schmidt
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Effect of Filter Inhomogeneity on Deep-Bed Filtration Process – A CFD Investigation [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2020 Aerosol filtration in fibrous filters is one of the principal methods of removal of solid particles from the gas stream. The classical theory of depth filtration is based on the assumption of existing single fiber efficiency, which may be used to the ...
Arkadiusz Moskal +2 more
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Solitons in Overdamped Brownian Dynamics
Physical Review Letters, 2022 Solitons are commonly known as waves that propagate without dispersion. Here we show that they can occur for driven overdamped Brownian dynamics of hard spheres in periodic potentials at high densities. The solitons manifest themselves as periodic sequences of different assemblies of particles moving in the limit of zero noise, where transport of ...
Alexander P. Antonov +2 more
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The auxiliary region method: a hybrid method for coupling PDE- and Brownian-based dynamics for reaction–diffusion systems [PDF]
Royal Society Open Science, 2018 Reaction–diffusion systems are used to represent many biological and physical phenomena. They model the random motion of particles (diffusion) and interactions between them (reactions). Such systems can be modelled at multiple scales with varying degrees
Cameron A. Smith, Christian A. Yates
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A spatio-temporal model reveals self-limiting FcɛRI cross-linking by multivalent antigens [PDF]
Royal Society Open Science, 2018 Aggregation of cell surface receptor proteins by multivalent antigens is an essential early step for immune cell signalling. A number of experimental and modelling studies in the past have investigated multivalent ligand-mediated aggregation of IgE ...
Md Shahinuzzaman +2 more
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Dynamics and efficiency of Brownian rotors [PDF]
The Journal of Chemical Physics, 2008 Brownian rotors play an important role in biological systems and in future nanotechnological applications. However the mechanisms determining their dynamics, efficiency, and performance remain to be characterized. Here the F0 portion of the F-ATP synthase is considered as a paradigm of the Brownian rotor.
Bauer, W. R., Nadler, W.
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Efficient reactive Brownian dynamics [PDF]
The Journal of Chemical Physics, 2018 We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various
Donev, Aleksandar +2 more
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Stretching of Bombyx mori Silk Protein in Flow
Molecules, 2021 The flow-induced self-assembly of entangled Bombyx mori silk proteins is hypothesised to be aided by the ‘registration’ of aligned protein chains using intermolecularly interacting ‘sticky’ patches. This suggests that upon chain alignment, a hierarchical
Charley Schaefer +3 more
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