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Abstract

Collision between particles is a process in which the states of motion and internal states of the colliding particles change in the course of a finite-in-time, dynamic interaction. Colliding particles, objects, or systems may differ significantly in nature, internal structure, size, mass and the interactions involved. Collision processes happen naturally in many different systems. They occur in gases and plasmas, the major properties of which to large extend are determined by the physics of colliding particles, atoms and molecules. They may happen on surfaces or inside liquids and solids. This Chapter is devoted to the multiscale modelling of collision processes involving MBN systems by means of MBN Explorer and MBN Studio. MBN Explorer supports the most advanced molecular dynamics simulations for a large variety of complex molecular systems. With these methods one can simulate and study many different dynamical processes that occur in molecular systems, including different collision and collision induced processes. This Chapter introduces the particular case studies of collision processes, in which MBN Explorer and MBN Studio have been used with the aim to demonstrate the main algorithms implemented in the software that are suitable for such studies. Also, a short overview of experimental research on collisions involving MBN systems is made with the emphases of the lack of corresponding theoretical and computational studies in these areas and the capabilities of MBN Explorer and MBN Studio for the research.

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Notes

  1. 1.

    The figure illustrates the algorithm applied to the propagation of a single projectile. MBN Explorer offers a wider option by considering the motion of a number of projectiles propagating through the medium built of fixed constituents. In this case, the scheme described below is applied to each projectile.

  2. 2.

    See also Sect. 10.3 for an overview of the multiscale approach to the IBCT.

  3. 3.

    These include interactions of DNA molecules with free radicals, secondary electrons, solvated electrons, etc.

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Correspondence to Ilia A. Solov’yov .

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© 2017 Springer International Publishing AG

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Solov’yov, I.A., Korol, A.V., Solov’yov, A.V. (2017). Collisional Processes Involving MBN Systems. In: Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer. Springer, Cham. https://doi.org/10.1007/978-3-319-56087-8_9

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