Atomistic Simulations of Ultra-Relativistic Particles Channeling and Radiation in Crystalline Structures
Final Report Abstract
The project aimed at the advanced computational exploration, carried out at the atomistic level of details, of a variety of phenomena accompanying propagation of high energy (up to hundreds of GeV) electrons and positrons in oriented crystals of different geometry with the focus on bent crystals (BC), periodically bent crystals (PBC) and quasi-periodically bent crystals (qPBC). A research programme within the project combined theory, computational modelling and design of the crystalline structures, of the ultra-relativistic particles’ dynamics with account for the interaction with crystal atoms along with the radiation damping force, and of the photon emission processes by charged projectiles. Within the project, advanced algorithms for multiscale modelling have been applied to enable efficient simulation of particles’ passage through crystalline structures of macroscopic sizes as well as calculation of the spectral-angular distribution of the emitted radiation. By propagating intensive, highly collimated beams of ultra-relativistic particles through oriented BC, PBC and qPBC it is possible to construct novel crystal-based light sources (CLS) that operate in the sub-angstrom wavelength range where the technologies based on particle motion in the fields of permanent magnets become inefficient or incapable. When developed, CLSs will have many applications in basic sciences, technology and medicine. Construction of such light sources is an extremely challenging task which constitutes a highly interdisciplinary field. One of the important activities within the field concerns development and application of unique algorithms and tools for multiscale modelling with extremely high and reliable level of prediction of the processes of ultra-relativistic projectiles propagation in oriented crystals, radiation emission and related phenomena. Within the current project computational multiscale modelling approach has been based on MBN Explorer software package, which is the universal and powerful tool for simulation of a variety of processes as well as for their quantitative characterisation. The research within the current Project was closely linked to the scientific, technological and experimental activities which are being carried out within the ongoing EU-supported collaborative projects H2020-N-LIGHT and Horizon Europe TECHNO-CLS that are focused on development and practical implementation of novel CLS.
Publications
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Crystal-based intensive gamma-ray light sources. The European Physical Journal D, 74(10).
Korol, Andrei V. & Solov’yov, Andrey V.
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Novel Light Sources Beyond Free Electron Lasers, Particle Acceleration and Detection series, Springer Nature Switzerland, Cham (2022), 214 p. ISBN: 978-3-031-04281-2 (hardcover), ISBN: 978-3-031-04282-9
A.V. Korol & A.V.Solov’yov
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Advances in multiscale modeling for novel and emerging technologies. The European Physical Journal D, 75(7).
Verkhovtsev, Alexey V.; Solov’yov, Ilia A. & Solov’yov, Andrey V.
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All-atom relativistic molecular dynamics simulations of channeling and radiation processes in oriented crystals. The European Physical Journal D, 75(3).
Korol, Andrei V.; Sushko, Gennady B. & Solov’yov, Andrey V.
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Channeling and radiation of electrons and positrons in diamond heterocrystals, St. Petersburg Polytechnical State Uni. J. Phys. & Math. 14 (2021) 190
A.V. Pavlov; A.V. Korol; V.K. Ivanov & A.V. Solov’yov
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MBN explorer atomistic simulations of 855 MeV electron propagation and radiation emission in oriented silicon bent crystal: theory versus experiment. The European Physical Journal Plus, 137(1).
Haurylavets, V. V.; Leukovich, A.; Sytov, A.; Bandiera, L.; Mazzolari, A.; Romagnoni, M.; Guidi, V.; Sushko, G. B.; Korol, A. V. & Solov’yov, A. V.
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Extremely brilliant crystal-based light sources. The European Physical Journal D, 76(9).
Sushko, Gennady B.; Korol, Andrei V. & Solov’yov, Andrey V.
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Ultra-relativistic electron beams deflection by quasi-mosaic crystals. The European Physical Journal D, 76(12).
Sushko, Gennady B.; Korol, Andrei V. & Solov’yov, Andrey V.
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Atomistic modeling and characterizaion of light sources based on small-amplitude short-period periodically bent crystals. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 537, 1-13.
Korol, Andrei V. & Solov’yov, Andrey V.
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Atomistic modeling of the channeling process with radiation reaction force included. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 535, 117-125.
Sushko, Gennady B.; Korol, Andrei V. & Solov’yov, Andrey V.
