Molecular dynamics simulation of nanoporous tungsten
Source abstract
Abstract
Developing materials that can withstand the intense environments of nuclear fusion reactors is critical in developing long-term commercial viability for energy production. Tungsten is the primary candidate as a plasma facing material due to its exceptional resilience in extreme fusion settings. However, the continuous high energy helium and neutron damage threatens mechanical stability, calling into question the long time commercial reliability for fusion energy generation. In order to address these issues, novel methods of nanoporous structures have been shown to suppress and annihilate the accumulation of defects that leads to structural instability that can be applied to improve the reliability of tungsten as a plasma facing material. There is currently a lack of experimental data on nanoporous Tungsten that needs to be considered when choosing appropriate applications for this material. Molecular dynamic simulations were utilized in examining the mechanical and thermodynamic response of nanoporous tungsten systems under fusion reactor relevant conditions under compressive strain. Bicontinuous nanoporous structured Tungsten with small relative densities are shown to have outstanding thermodynamic and mechanical stability under compression compared to other Tungsten systems by possessing reduced defect densities and unique defect twinning.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (72)
Show source-provided references
1. Progress toward ITER’s first plasma10.1088/1741-4326/ab0f84 ↗
2. ITER project: international cooperation and energy investment
3. Predictions of core plasma performance for the SPARC tokamak
4. Physics basis for the ICRF system of the SPARC tokamak10.1017/S0022377820001269 ↗
5. Investigation of materials for fusion power reactors10.1088/1742-6596/516/1/012024 ↗
6. Damage parameters of structural materials in fusion environment compared to fission reactor irradiation10.1016/j.fusengdes.2012.01.022 ↗
7. Designing radiation resistance in materials for fusion energy10.1146/annurev-matsci-070813-113627 ↗
8. Plasma processed tungsten for fusion reactor first-wall material10.1007/s10853-021-05917-y ↗
9. Study of tungsten as a plasma-facing material for a fusion reactor10.1016/j.phpro.2015.08.313 ↗
10. Recent advances in characterising irradiation damage in tungsten for fusion power10.1007/s42452-019-1591-0 ↗
11. Effects of neutron irradiation on the brittle to ductile transition in single crystal tungsten10.1016/j.jnucmat.2019.151799 ↗
12. Irradiation hardening of pure tungsten exposed to neutron irradiation10.1016/j.jnucmat.2016.08.024 ↗
13. Helium retention, bubble superlattice formation and surface blistering in helium-irradiated tungsten10.1016/j.jnucmat.2020.152722 ↗
14. A description of bubble growth and gas release of helium implanted tungsten10.1016/j.jnucmat.2008.12.318 ↗
15. Sink strength and dislocation bias of three-dimensional microstructures
16. Surface and size effects on the behaviors of point defects in irradiated crystalline solids10.3389/fmats.2021.684862 ↗
17. Effect of confinement of SIA cluster diffusion by impurities on radiation defect accumulation due to 14 MeV neutrons in tungsten10.1016/j.jnucmat.2020.152402 ↗
18. Mechanism for radiation damage resistance in yttrium oxide dispersion strengthened steels10.1016/j.jnucmat.2013.10.045 ↗
19. Radiation damage tolerant nanomaterials10.1016/j.mattod.2013.10.019 ↗
20. Are Nanoporous materials radiation resistant?10.1021/nl201383u ↗
21. Helium bubble bursting in tungsten10.1063/1.4860315 ↗
22. Challenges for plasma-facing components in nuclear fusion10.1063/1.5090100 ↗
23. High heat flux limits of the fusion reactor water-cooled first wall10.1016/j.net.2019.03.013 ↗
24. Enhanced radiation tolerance of tungsten nanoparticles to He ion irradiation10.3390/nano8121052 ↗
25. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales10.1016/j.cpc.2021.108171 ↗
26. Atomsk: a tool for manipulating and converting atomic data files10.1016/j.cpc.2015.07.012 ↗
27. A fully molecular dynamics-based method for modeling nanoporous gold10.1016/j.commatsci.2019.01.042 ↗
28. Development of the interatomic potentials for W-Ta system10.1016/j.commatsci.2019.03.021 ↗
29. Investigation of plasma wall interactions between tungsten plasma facing components and helium plasmas in the WEST tokamak10.1088/1741-4326/ac2ef3 ↗
30. Interatomic potentials for modelling radiation defects and dislocations in tungsten10.1088/0953-8984/25/39/395502 ↗
31. BDA: a novel method for identifying defects in body-centered cubic crystals10.1016/j.mex.2016.03.013 ↗
32. Dislocation analysis tool for atomistic simulations
33. Fragility under shocking: molecular dynamics insights into defect evolutions in tungsten lattice10.1007/s42864-021-00087-5 ↗
34. An atomistic study of the deformation behavior of tungsten nanowires10.1007/s00339-017-1414-3 ↗
35. Simulations of nanocrystalline iron formation under high shear strain
36. Nanoporous metals by alloy corrosion: formation and mechanical properties10.1557/mrs2009.157 ↗
37. Anomalous compliance and early yielding of nanoporous gold10.1016/j.actamat.2015.04.021 ↗
38. Light, strong, and stable nanoporous aluminum with native oxide shell10.1126/sciadv.abb9471 ↗
39. Material: Tungsten (W), film. http://www.memsnet.org/material/tungstenwfilm/.
40. Mechanical properties of magnetite (Fe3O4), hematite (α-Fe2O3) and goethite (α-FeO·OH) by instrumented indentation and molecular dynamics analysis10.1016/j.matchemphys.2011.05.056 ↗
41. Calculating the bulk Modulus of Iron and steel using equilibrium molecular dynamics simulation10.1016/j.mspro.2015.11.005 ↗
42. Grain size dependence of elastic moduli in nanocrystalline tungsten10.1155/2017/3620910 ↗
43. Molecular dynamics studies of temperature and grain size effects on mechanical properties of nanocrystalline tungsten10.4172/2324-8777.1000239 ↗
44. Gibson · 1999
45. Proc. R. Soc. Lond. Math. Phys. Sci. · 1982 · 382 · 43
46. Scaling laws of nanoporous gold under uniaxial compression: effects of structural disorder on the solid fraction, elastic Poisson’s ratio, young’s modulus and yield strength10.1016/j.jmps.2016.02.018 ↗
47. On factors defining the mechanical behavior of nanoporous gold10.1016/j.actamat.2021.116979 ↗
48. Topology-dependent scaling laws for the stiffness and strength of nanoporous gold10.1016/j.actamat.2016.08.012 ↗
49. Open-cell tungsten nanofoams: scaling behavior and structural disorder dependence of young’s modulus and flow strength10.1016/j.matdes.2020.109187 ↗
50. Pore and ligament size control, thermal stability and mechanical properties of nanoporous single crystals of gold10.1039/C7NR04004K ↗
51. The mobility of small vacancy/helium complexes in tungsten and its impact on retention in fusion-relevant conditions10.1038/s41598-017-02428-2 ↗
52. Grain boundaries as point defect sources or sinks—diffusional creep10.1016/0001-6160(79)90095-6 ↗
53. Hypersurface for the combined loading rate and specimen size effects on material properties10.1615/IntJMultCompEng.v3.i4.40 ↗
54. Visualization and analysis of atomistic simulation data with OVITO–the open visualization tool10.1088/0965-0393/18/1/015012 ↗
55. Flow stress of bcc metals over a wide range of temperature and strain rates10.3390/met10010120 ↗
56. High-temperature deformation of metals and alloys
57. Discrete twinning dynamics and size-dependent dislocation-to twin transition in body-centred cubic tungsten10.1016/j.jmst.2021.08.010 ↗
58. Plastic deformation of a porous bcc metal containing nanometer sized voids10.1016/j.commatsci.2014.02.047 ↗
59. Effect of thermal vacancy on thermodynamic behaviors in BCC W close to melting point: a thermodynamic study10.3390/ma11091648 ↗
60. General-stacking-fault energies in highly strained metallic environments: ab initio calculations10.1103/PhysRevB.76.054124 ↗
61. Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals10.1063/1.5115282 ↗
62. Toward a unified theory correlating electronic, thermodynamic, and mechanical properties at defective Al/SiO 2 nanodevice interfaces: an application to dielectric breakdown10.1021/acsanm.9b01281 ↗
63. A unified model for yield strength and plastic behavior of nanovoid evolution in tungsten based on molecular dynamics simulations10.1016/j.commatsci.2022.111534 ↗
64. Void growth in metals: atomistic calculations10.1016/j.actamat.2008.03.047 ↗
65. Dynamic transitions from smooth to rough to twinning in dislocation motion10.1038/nmat1072 ↗
66. Characterization of the deformation behaviors under uniaxial stress for bicontinuous nanoporous amorphous alloys10.1039/D1CP04970D ↗
67. In situ atomic-scale observation of twinning-dominated deformation in nanoscale body-centred cubic tungsten10.1038/nmat4228 ↗
68. Atomistic simulations on the dissociation of a screw dislocation in BCC-Fe10.1016/j.matpr.2023.12.054 ↗
69. Unstable twin in body-centered cubic tungsten nanocrystals10.1038/s41467-020-16349-8 ↗
70. Nanoindentation of nanoporous tungsten: a molecular dynamics approach10.1016/j.commatsci.2022.111336 ↗
71. Prediction of vacancy formation energies at tungsten grain boundaries from local structure via machine learning method10.1016/j.jnucmat.2021.153412 ↗
72. Interface driven Pseudo-elasticity in a-Fe nanowires10.1002/adfm.201504085 ↗