10.57647/j.jtap.2025.1902.18

Simulation-based analysis of the impact of lattice cavities on tungsten’s mechanical properties

  1. Atomic Energy Organization of Iran (AEOI)Plasma and Nuclear Fusion Research School, Nuclear Science and Technology Research Institute (NSTRI), Tehran, Iran
  2. Physics Department, University of Isfahan, Isfahan, Iran
  3. Atomic Energy Organization of Iran (AEOI) Physics and Accelerators School, Nuclear Sciences and Technology Research Institute (NSTRI), Karaj, Iran

Received: 2024-12-08

Revised: 2025-01-28

Accepted: 2025-02-02

Published 2025-04-10

How to Cite

1.
Seyedhabashi MM, Eslami H, Janbazi M, Noori E. Simulation-based analysis of the impact of lattice cavities on tungsten’s mechanical properties. J Theor Appl phys. 2025 Apr. 10;19(2 (April 2025):1-6. Available from: https://oiccpress.com/jtap/article/view/16588

PDF views: 22

Abstract

Tungsten, as a plasma-facing material in nuclear fusion reactors like tokamaks, is exposed to extreme conditions, including high heat flux and neutron radiation. These conditions lead to the formation of vacancies and structural defects, significantly influencing its mechanical properties. This study investigates the impact of varying vacancy concentrations on the mechanical behavior of tungsten, focusing on Young’s modulus and tensile strength. Using molecular dynamics simulations implemented in LAMMPS software, different levels of vacancy densities were introduced into tungsten’s lattice structure. The results revealed that an increase in vacancy concentration correlates with a noticeable reduction in both stiffness and tensile strength of the material. These findings underscore the critical role of radiation-induced defects in altering the performance and durability of tungsten, providing valuable insights for its application in fusion reactor designs.

Keywords

  • Tungsten,
  • Lattice vacancies,
  • Mechanical properties,
  • Young’s modulus,
  • Tensile strength molecular dynamics simulation

References

  1. J. Wesson and D. J. Campbell. “Tokamaks. ”. Oxford University Press, 149, 2011.
  2. J. P. Freidberg. “Plasma physics and fusion energy. ”. Cambridge University Press, 2008.
  3. M. Seyyedhabashy et al. “Damage studies on irradiated tungsten by helium ions in a plasma focus device.”. Nuclear Engineering and Technology, 54 (4):827–834, 2020. doi: 10.1016/j.net.2019.10.003.
  4. M. Seyyedhabashy et al. “Damage study of irradiated tungsten and copper using proton and argon ions of a plasma focus device.”. Applied Radiation and Isotopes, 154:108875, 2019. doi: 10.1016/j.apradiso.2019.108875.
  5. M. Seyyedhabashy et al. “Study of surface damage and hydrogen distribution in irradiated tungsten by protons in plasma focus device. ”. Vacuum, 175:109249, 2020. doi: 10.1016/j.vacuum.2020.109249.
  6. M. A. Asgarian et al. “Radiation damage of tungsten surface irradiated with high-energy hydrogen and helium beams of plasma focus device.”. Fusion Engineering and Design, 160:112007, 2020. doi: 10.1016/j.fusengdes.2020.112007.
  7. M. M. R. Seyedhabashi et al. “Radiation damage of graphite surface, used in first-wall and divertor of tokamaks, irradiated by hydrogen and argon in plasma focus device.”. IEEE Transactions on Plasma Science, 50(6): 1814–1822, 2022. doi: 10.1109/TPS.2022.3167836.
  8. F. Sedighi et al. “Damage study and comparison the effects of high-energy pulsed-protons of plasma focus device with low-energy protons of glow discharge plasma of tokamak.”. Plasma Research Express, 2(3):035001, 2020. doi: 10.1088/2516-1067/ab9d72.
  9. H. Bolt et al. “Materials for the plasma-facing components of fusion reactors. ”. Journal of Nuclear Materials, 329:66–73, 2004. doi:10.1016/j.jnucmat.2004.04.005.
  10. J. Linke et al. “Challenges for plasma-facing components in nuclear fusion.”. Matter and Radiation at Extremes, 4(5), 2019. doi: 10.1063/1.5090100.
  11. F. Sedighi et al. “Investigation of hydrogen glow discharge cleaning side effects on tungsten. ”. Plasma Physics Reports, 47:128–138, 2021. doi: 10.1134/S1063780X21020057.1
  12. A. Chamani et al. “The comparison of the destructive effects of high energy protons produced in a plasma focus device on copper and molybdenum.”Iranian Journal of Radiation Safety and Measurement, 10(3):19–30, 2021. doi: 10.22052/9.3.19.
  13. M. Seyedhabashi et al. “Experimental investigation and simulation of penetration depth of nitrogen ions emitted by plasma focus device inside titanium samples. ”. Results in Physics, 52:106897, 2023. doi: 10.1016/j.rinp.2023.106897.
  14. M. Seyedhabashi et al. “Damage studies on irradiated tungsten by helium and argon ions in a plasma focus device.”. J Radiat Saf Meas, 9:1–12, 2020. doi: 10.22052/8.5.1.
  15. M. Seyed Habashy and A. Asle Zaeem. “Evaluating structural changes in graphite under ion pulse irradiation: A case study on plasma facing materials.”. Journal of Advanced Materials in Engineering (Esteghlal), 43: 65–83, 2024. doi: 10.47176/jame.43.3.1074.
  16. M. Seyed Habashy. “Comparison of the effect of high-energy proton pulse radiation produced in a plasma focus device on hard metals.”. Journal of Nuclear Science, Engineering and Technology (JONSAT), 45(3):103–111, 2024. doi: 10.24200/nst.2024.1594.
  17. M. Seyedhabashi, H. Hosseinpour, and E. Noori. “Investigation of optical properties and chemical structure of Nd2O3 nanoparticles deposited on NaX zeolite powder using plasma focus device.”. Journal of Inorganic and Organometallic Polymers and Materials, 34(4):1452–1461, 2024. doi: 10.1007/s10904-023-02825-3.
  18. V. Philipps et al. “Comparison of tokamak behaviour with tungsten and low-Z plasma facing materials. ”. Plasma Physics and Controlled Fusion, 42:B293, 2000. doi: 10.1088/0741-3335/42/12B/322.
  19. C. Luo et al. “Research status of tungsten-based plasma-facing materials: A review.”. Fusion Engineering and Design, 190:113487, 2023. doi: 10.1016/j.fusengdes.2023.113487.
  20. N. Dutta, N. Buzarbaruah, and S. Mohanty. “Damage studies on tungsten due to helium ion irradiation. .”. Journal of Nuclear Materials, 452:51–56, 2014. doi: 10.1016/j.jnucmat.2014.04.032.
  21. J. Grzonka et al. “Electron microscopy observations of radiation damage in irradiated and annealed tungsten.
  22. J. Riesch et al. “Irradiation effects in tungsten—From surface effects to bulk mechanical properties.”. Nuclear Materials and Energy, 30:101093, 2022. doi: 10.1016/j.nme.2021.101093.2
  23. D. Papadakis et al. “Neutron irradiation effects in different tungsten microstructures. ”. Physica Scripta, 96:124041, 2021. doi: 10.1088/1402-4896/ac1eb2.
  24. H. Park, S. Moon, and K. Kang. “The effect of atomic hydrogen on the behavior of a single dislocation of < 111 > {112} in bcc tungsten: Atomistic study.”. Journal of Nuclear Materials, 589:154842, 2024. doi: 10.1016/j.jnucmat.2023.154842.
  25. M. Baldwin and R. Doerner. “Helium induced nanoscopic morphology on tungsten under fusion relevant plasma conditions. ”. Nuclear Fusion, 48: 035001, 2008. doi: 10.1088/0029-5515/48/3/035001.
  26. M. T. Ramesan and K. Surya. “Interactions of mobile helium clusters with surfaces and grain boundaries of plasma-exposed tungsten.”. Journal of Applied Physics, 115, 2014. doi: 10.1063/1.4874675.
  27. X. Yu, F. Gou, and X. Tian. “Molecular dynamics study of the effect of hydrogen on the mechanical properties of tungsten.”. Journal of Nuclear Materials, 441:324–330, 2013. doi: 10.1016/j.jnucmat.2013.06.018.
  28. Y.-N. Liu et al. “Molecular dynamics simulations of hydrogen diffusion behaviour at tungsten surface.”. Materials Research Innovations, 18(6): S4–1040–S4–1044, 2014. doi: 10.1179/1432891714Z.
  29. Z. Bergstrom, M. Cusentino, and B. Wirth. “A molecular dynamics study of subsurface hydrogen-helium bubbles in tungsten. ”. Fusion Science and Technology, 71(7):122–135, 2017. doi: 10.13182/FST16-121.
  30. B. Fu et al. “The trapping and dissociation process of hydrogen in tungsten vacancy: A molecular dynamics study.”. Journal of Nuclear Materials, 508: 278–285, 2018. doi: 10.1016/j.jnucmat.2018.05.065.
  31. A. Weerasinghe, B. D. Wirth, and D. Maroudas. “Elastic properties of plasma-exposed tungsten predicted by molecular-dynamics simulations. ”. ACS Applied Materials & Interfaces, 12:22287–22297, 2020. doi: 10.1021/acsami.0c01381.
  32. M. S. Daw and M. I. Baskes. “Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals.”. Physical Review B, 29:6443, 1984. doi: 10.1103/PhysRevB.29.6443.
  33. S. Rajkhowa and A. N. Jha. “Molecular dynamics simulations: A tool to investigate the interactions between biomolecules and nanoparticles.”. Nov Sci Publ Inc, pages 65–108, 2019.