Molecular Dynamics Simulation of Sputtering of Monocrystalline Silicon: Optimization of Thermostating Parameters.

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Title: Molecular Dynamics Simulation of Sputtering of Monocrystalline Silicon: Optimization of Thermostating Parameters.
Authors: Nazarov, A. A.1 (AUTHOR) nazarov.artem@ipmras.ru, Yunin, P. A.1 (AUTHOR), Mikhailenko, M. S.1 (AUTHOR), Pestov, A. E.1 (AUTHOR)
Source: Russian Microelectronics. Feb2026, Vol. 55 Issue 1, p123-127. 5p.
Subjects: Sputtering (Physics), Silicon crystals, Thermostat, Canonical ensemble, Ion bombardment, Molecular dynamics, Particle emissions
Abstract: Molecular dynamics (MD) simulations of the process of sputtering single-crystal silicon with incident argon ions (E = 200–1000 eV) are carried out. A three-stage dependence of the sputtering yield on the ion energy is established with characteristic regions at 200–400, 500–700, and 800–1000 eV. The results obtained using NVE and NVT relaxation of the implantation area are compared, revealing a significant influence of the choice of thermodynamic conditions on the absolute values of the sputtering yield. Analysis of structural changes shows that the average depth of the damaged layer (~5 nm) depends weakly on the type of ensemble; however, NVE modeling leads to a more uniform distribution of defects. [ABSTRACT FROM AUTHOR]
Copyright of Russian Microelectronics is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: <searchLink fieldCode="JN" term="%22Russian+Microelectronics%22">Russian Microelectronics</searchLink>. Feb2026, Vol. 55 Issue 1, p123-127. 5p.
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  Data: <searchLink fieldCode="DE" term="%22Sputtering+%28Physics%29%22">Sputtering (Physics)</searchLink><br /><searchLink fieldCode="DE" term="%22Silicon+crystals%22">Silicon crystals</searchLink><br /><searchLink fieldCode="DE" term="%22Thermostat%22">Thermostat</searchLink><br /><searchLink fieldCode="DE" term="%22Canonical+ensemble%22">Canonical ensemble</searchLink><br /><searchLink fieldCode="DE" term="%22Ion+bombardment%22">Ion bombardment</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Particle+emissions%22">Particle emissions</searchLink>
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  Data: Molecular dynamics (MD) simulations of the process of sputtering single-crystal silicon with incident argon ions (E = 200–1000 eV) are carried out. A three-stage dependence of the sputtering yield on the ion energy is established with characteristic regions at 200–400, 500–700, and 800–1000 eV. The results obtained using NVE and NVT relaxation of the implantation area are compared, revealing a significant influence of the choice of thermodynamic conditions on the absolute values of the sputtering yield. Analysis of structural changes shows that the average depth of the damaged layer (~5 nm) depends weakly on the type of ensemble; however, NVE modeling leads to a more uniform distribution of defects. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Russian Microelectronics is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1134/S1063739726600184
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        Text: English
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      – SubjectFull: Silicon crystals
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      – SubjectFull: Thermostat
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              Text: Feb2026
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