Predictive modeling of synergistic effects in nanoscale ion track formation

文献情報

出版日 2015-08-05

DOI 10.1039/C5CP02382C

インパクトファクター 3.676

著者

Eva Zarkadoula, Haizhou Xue, Yanwen Zhang

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要旨

Molecular dynamics techniques in combination with the inelastic thermal spike model are used to study the coupled effects of the inelastic energy loss due to 21 MeV Ni ion irradiation with pre-existing defects in SrTiO3. We determine the dependence on pre-existing defect concentration of nanoscale track formation occurring from the synergy between the inelastic energy loss and the pre-existing atomic defects. We show that the size of nanoscale ion tracks can be controlled by the concentration of pre-existing disorder. This work identifies a major gap in fundamental understanding on the role of defects in electronic energy dissipation and electron–lattice coupling.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.