شبیه‌سازی برخورد نانوذره‌ غبار با دیواره‌ گرافیتی با استفاده از کد لمپس

بختیاری رمضانی, مهدیه; عبدالهی درگاه, مهناز; عبداللهی قهی, نیره

doi:10.24200/nst.2021.1294

نوع مقاله : مقاله پژوهشی

نویسندگان

پژوهشکده‌ی پلاسما و گداخت هسته‌ای، پژوهشگاه علوم و فنون هسته‌ای، سازمان انرژی اتمی، صندوق پستی: 51113-14399، تهران- ایران

https://doi.org/10.24200/nst.2021.1294

چکیده

در این پژوهشبرخورد نانوذره غبار با دیوار گرافیتیبا استفاده از کد لمپس، که اساس آن روش دینامیک مولکولی است، شبیهسازی شده است.ذرات غبار بر اساس سازوکار تولیدشان در توکامک‌ها، شکل‌ها و اندازه‌های مختلفی دارند. در این کار دو نوع دانه غبار درنظر گرفته شده است: ابتدا نانوذره تنگستن کروی‌شکل و سپس نانوذرهای از جنس گرافیت و با هندسه‌ پولکی‌شکل که با دیواره‌ای گرافیتی برخورد می‌کنند. در دستگاه گداخت، یونها، اتمها و مولکولهای هیدروژن با دانه غبار برخورد میکنند و گشتاور تصادفی ایجاد میکنند که منجر به تغییرات کوچکی در اندازهحرکت زاویهای دانه میشود. بنابراین در شبیه‌سازی علاوه‌بر سرعت انتقالی، چرخش غبار حول محور تقارنش نیز درنظر گرفته شده و برای چنین نانوذراتی، آستانه‌ سرعت که منجر به تخریب سطح می‌شود برآورد شده است. نتایج نشان می‌دهند که برخلاف نانوذره‌ تنگستن، دانه‌های گرافیتی نقش مهمی در تخریب سطوح گرافیتی ندارند بلکه با توجه سرعت برخورد، ممکن است روی سطح بچسبند و یا تخریب شده و به محیط بازگردند.

کلیدواژه‌ها

20.1001.1.17351871.1400.42.3.5.5

عنوان مقاله [English]

Simulation of collision of dust nanoparticles with graphite wall using LAMMPS code

نویسندگان [English]

M. Bakhtiyari Ramezani
M. Abdollahi Dargah
N. Abdollahi Ghahi

Plasma and Nuclear Fusion Research School, Nuclear Science and Technology Research Institute, AEOI, P.O.Box: 14399-51113, Tehran - Iran

چکیده [English]

In the present work, we have simulated the collision of dust nanoparticles with graphite wall using LAMMPS code, based on the molecular dynamics method. Dust particles have different shapes and sizes depending on their production mechanism in Tokamaks. In this work, two types of dust grains have been considered: a spherical tungsten nanoparticle and a graphite nanoparticle with an oblate geometry that collides with a graphite wall. In the fusion device, ions, hydrogen atoms, and molecules collide with the dust grain and create stochastic torques, leading to minor variations in the angular momentum of the grain. Therefore, in the simulations, the dust rotation around its symmetry axis has also been considered in addition to the transfer velocity. For such nanoparticles, the threshold speed of nanoparticles that leads to surface damage has been estimated. The results show that, unlike tungsten nanoparticles, graphite grains do not play a significant role in the degradation of the graphite surfaces. Still, due to the speed of the collision, they may either stick to the surface or be damaged and return to the environment.

کلیدواژه‌ها [English]

Dust nanoparticle
LAMMPS code
Graphite
Tungsten
Rotation

مراجع

1. S. Banerjee, et al., Dynamics of dust events in the graphite first wall equipped SST-1 tokamak, Plasma Physics and Controlled Fusion, 60, 095001 (2018).

2. D.J. Ward, S.L. Dudarev, Economically competitive fusion, Materials Today, 11, 46 (2008).

3. E. Lazzaro, M. De Angeli, Effects of dust on plasma discharges during tokamaks start-up phase, 46^th EPS Conference on Plasma Physics Italy-Milan, 8-12 July (2019).

4. J. Winter, Dust: A new challenge in nuclear fusion research? Phys. Plasmas. 7, 3862 (2000).

5. A.K. Makar, An Audit of Occurrence of Dust in Tokamak and Stability of Fusion Plasma, Plasma and Fusion Research, 15, 1405019 (2020).

6. C. Grisolia, et al., Current investigations on tritiated dust and its impact on tokamak safety, Nuclear Fusion, 59, 086061 (2019).

7. J.P. Sharpe, D.A. Petti, H.W. Bartels, A review of dust in fusion devices: Implications for safety and operational performance, Fusion Engineering and Design, 63, 153 (2002).

8. H. Rongjie, et al., Molecular Dynamics Study on the Dust-Plasma/Wall Interactions in the EAST Tokamak, Plasma Science and Technology, 15, 318 (2013).

9. A. Autricque, et al., Adhesion force of W dust on tokamak W plasma-facing surfaces: The importance of the impact velocity, Nuclear Materials and Energy, 18, 345 (2019).

10. A. Malizia, et al., A review of dangerous dust in fusion reactors: From its creation to its resuspension in case of LOCA and LOVA, Energies, 9, 578 (2016).

11. M. Bakhtiyari-Ramezani, J. Mahmoodi, N. Alinejad, Recombination of H atoms on the dust in fusion plasmas, Physics of Plasmas, 22, 073707 (2015).

12. Y. Ferro, et al. Adsorption, diffusion, and recombination of hydrogen on pure and boron-doped graphite surfaces, J. Chem. Phys. 120, 11882 (2004).

13. X. Sha, B. Jackson, D. Lemoine, Quantum studies of Eley–Rideal reactions between H atoms on a graphite surface, J. Chem. Phys. 116, 7158 (2002).

14. M. Bakhtiyari-Ramezani, J. Mahmoodi, N. Alinejad, Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma, Physics of Plasmas, 22, 113706 (2015).

15. https://lammps.sandia.gov.

16. OVITO-The Open Visualization Tool, http://ovito.org/.

17. S.J. Stuart, A.B. Tutein, J.A. Harrison, A reactive potential for hydrocarbons with intermolecular interactions, J. Chem. Phys. 112, 6472 (2000).

18. M.S. Daw, M.I. Baskes, Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, 29, 6443 (1984).

مجله علوم و فنون هسته ای

شبیه‌سازی برخورد نانوذره‌ غبار با دیواره‌ گرافیتی با استفاده از کد لمپس

مراجع

مراجع

1. S. Banerjee, et al., Dynamics of dust events in the graphite first wall equipped SST-1 tokamak, Plasma Physics and Controlled Fusion, 60, 095001 (2018).

2. D.J. Ward, S.L. Dudarev, Economically competitive fusion, Materials Today, 11, 46 (2008).

3. E. Lazzaro, M. De Angeli, Effects of dust on plasma discharges during tokamaks start-up phase, 46^th EPS Conference on Plasma Physics Italy-Milan, 8-12 July (2019).

4. J. Winter, Dust: A new challenge in nuclear fusion research? Phys. Plasmas. 7, 3862 (2000).

5. A.K. Makar, An Audit of Occurrence of Dust in Tokamak and Stability of Fusion Plasma, Plasma and Fusion Research, 15, 1405019 (2020).

6. C. Grisolia, et al., Current investigations on tritiated dust and its impact on tokamak safety, Nuclear Fusion, 59, 086061 (2019).

7. J.P. Sharpe, D.A. Petti, H.W. Bartels, A review of dust in fusion devices: Implications for safety and operational performance, Fusion Engineering and Design, 63, 153 (2002).

8. H. Rongjie, et al., Molecular Dynamics Study on the Dust-Plasma/Wall Interactions in the EAST Tokamak, Plasma Science and Technology, 15, 318 (2013).

9. A. Autricque, et al., Adhesion force of W dust on tokamak W plasma-facing surfaces: The importance of the impact velocity, Nuclear Materials and Energy, 18, 345 (2019).

10. A. Malizia, et al., A review of dangerous dust in fusion reactors: From its creation to its resuspension in case of LOCA and LOVA, Energies, 9, 578 (2016).

11. M. Bakhtiyari-Ramezani, J. Mahmoodi, N. Alinejad, Recombination of H atoms on the dust in fusion plasmas, Physics of Plasmas, 22, 073707 (2015).

12. Y. Ferro, et al. Adsorption, diffusion, and recombination of hydrogen on pure and boron-doped graphite surfaces, J. Chem. Phys. 120, 11882 (2004).

13. X. Sha, B. Jackson, D. Lemoine, Quantum studies of Eley–Rideal reactions between H atoms on a graphite surface, J. Chem. Phys. 116, 7158 (2002).

14. M. Bakhtiyari-Ramezani, J. Mahmoodi, N. Alinejad, Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma, Physics of Plasmas, 22, 113706 (2015).

15. https://lammps.sandia.gov.

16. OVITO-The Open Visualization Tool, http://ovito.org/.

17. S.J. Stuart, A.B. Tutein, J.A. Harrison, A reactive potential for hydrocarbons with intermolecular interactions, J. Chem. Phys. 112, 6472 (2000).

18. M.S. Daw, M.I. Baskes, Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, 29, 6443 (1984).

19. www.ctcms.nist.gov/potentials/system/W/.

دوره 42، شماره 3 - شماره پیاپی 97
مهر 1400
صفحه 37-43

شبیه‌سازی برخورد نانوذره‌ غبار با دیواره‌ گرافیتی با استفاده از کد لمپس

مراجع

مراجع

1. S. Banerjee, et al., Dynamics of dust events in the graphite first wall equipped SST-1 tokamak, Plasma Physics and Controlled Fusion, 60, 095001 (2018).

2. D.J. Ward, S.L. Dudarev, Economically competitive fusion, Materials Today, 11, 46 (2008).

3. E. Lazzaro, M. De Angeli, Effects of dust on plasma discharges during tokamaks start-up phase, 46th EPS Conference on Plasma Physics Italy-Milan, 8-12 July (2019).

4. J. Winter, Dust: A new challenge in nuclear fusion research? Phys. Plasmas. 7, 3862 (2000).

5. A.K. Makar, An Audit of Occurrence of Dust in Tokamak and Stability of Fusion Plasma, Plasma and Fusion Research, 15, 1405019 (2020).

6. C. Grisolia, et al., Current investigations on tritiated dust and its impact on tokamak safety, Nuclear Fusion, 59, 086061 (2019).

7. J.P. Sharpe, D.A. Petti, H.W. Bartels, A review of dust in fusion devices: Implications for safety and operational performance, Fusion Engineering and Design, 63, 153 (2002).

8. H. Rongjie, et al., Molecular Dynamics Study on the Dust-Plasma/Wall Interactions in the EAST Tokamak, Plasma Science and Technology, 15, 318 (2013).

9. A. Autricque, et al., Adhesion force of W dust on tokamak W plasma-facing surfaces: The importance of the impact velocity, Nuclear Materials and Energy, 18, 345 (2019).

10. A. Malizia, et al., A review of dangerous dust in fusion reactors: From its creation to its resuspension in case of LOCA and LOVA, Energies, 9, 578 (2016).

11. M. Bakhtiyari-Ramezani, J. Mahmoodi, N. Alinejad, Recombination of H atoms on the dust in fusion plasmas, Physics of Plasmas, 22, 073707 (2015).

12. Y. Ferro, et al. Adsorption, diffusion, and recombination of hydrogen on pure and boron-doped graphite surfaces, J. Chem. Phys. 120, 11882 (2004).

13. X. Sha, B. Jackson, D. Lemoine, Quantum studies of Eley–Rideal reactions between H atoms on a graphite surface, J. Chem. Phys. 116, 7158 (2002).

14. M. Bakhtiyari-Ramezani, J. Mahmoodi, N. Alinejad, Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma, Physics of Plasmas, 22, 113706 (2015).

15. https://lammps.sandia.gov.

16. OVITO-The Open Visualization Tool, http://ovito.org/.

17. S.J. Stuart, A.B. Tutein, J.A. Harrison, A reactive potential for hydrocarbons with intermolecular interactions, J. Chem. Phys. 112, 6472 (2000).

18. M.S. Daw, M.I. Baskes, Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, 29, 6443 (1984).

19. www.ctcms.nist.gov/potentials/system/W/.

دوره 42، شماره 3 - شماره پیاپی 97مهر 1400صفحه 37-43

3. E. Lazzaro, M. De Angeli, Effects of dust on plasma discharges during tokamaks start-up phase, 46^th EPS Conference on Plasma Physics Italy-Milan, 8-12 July (2019).

دوره 42، شماره 3 - شماره پیاپی 97
مهر 1400
صفحه 37-43