Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation
Source abstract
Abstract
Abstract Using the first-principles method based on density functional theory, the effect of helium irradiation on Ti3SiC2 has been investigated. It was observed that helium atoms prefer to accumulate within the layers where Si atoms have been dislodged creating 2-dimensional channels and bubbles which strongly promotes cleavage fractures between adjacent Ti–Si layers. At high temperature the He atoms diffuse out of these bubbles enabling the diffusion of the mobile Si back to their original sites and the annealing of the material back to the original structure. This behavior may play a positive role in the resistance of Ti3SiC2 to helium irradiation making it a potential candidate for future nuclear reactor applications in the future.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: MXene and MAX Phase Materials · Aluminum Alloys Composites Properties · Advanced ceramic materials synthesis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (44)
Show source-provided references
1. MAX phases: bridging the gap between metals and ceramics
2. Chemically vapor-deposited Ti3SiC210.1016/0025-5408(87)90128-0 ↗
3. Damage mechanisms around hardness indentations in Ti3SiC210.1111/j.1151-2916.1997.tb02861.x ↗
4. Thermal properties of Ti3SiC210.1016/S0022-3697(98)00313-8 ↗
5. Materials science: Ti3SiC2 has negligible thermopower10.1038/35036686 ↗
6. Synthesis and characterization of a remarkable ceramic: Ti3SiC210.1111/j.1151-2916.1996.tb08018.x ↗
7. The MN+1AXN phases: a new class of solids; thermodynamically stable nanolaminates10.1016/S0079-6786(00)00006-6 ↗
8. Dislocations, kink bands, and room-temperature plasticity of Ti3SiC210.1007/s11661-999-0172-z ↗
9. Investigation of ballistic impact properties and fracture mechanisms of Ti3SiC2 ternary ceramics10.1016/j.jallcom.2007.01.117 ↗
10. Oxidation of Tin+1AlXn (n=1–3 and X = C, N): II. Experimental results10.1149/1.1380256 ↗
11. First-principles study of equilibrium properties and electronic structure of Ti3Si0.75Al0.25C2 solid solution
12. Thermo-mechanical response and damping behavior of shape memory alloy-MAX phase composites10.1007/s11661-014-2193-5 ↗
13. Intrinsic self-lubricity of layered Ti3AlC2 under certain vacuum environment10.1016/j.wear.2012.10.015 ↗
14. MAX phase carbides and nitrides: properties for future nuclear power plant in-core applications and neutron transmutation analysis10.1016/j.nucengdes.2011.12.009 ↗
15. Radiation tolerance of Mn+1AXn phases, Ti3AlC2 and Ti3SiC210.1016/j.actamat.2010.04.029 ↗
16. Accommodation, accumulation, and migration of defects in Ti3SiC2 and Ti3AlC2 MAX phases10.1111/jace.12537 ↗
17. The structural transitions of Ti3AlC2 induced by ion irradiation10.1016/j.actamat.2013.11.002 ↗
18. Ab initio study of irradiation tolerance for different Mn+1AXn phases: Ti3SiC2 and Ti3AlC210.1063/1.4861384 ↗
19. Irradiation resistance properties studies on helium ions irradiated MAX phase Ti3AlC210.1016/j.nimb.2013.10.046 ↗
20. Damage accumulation and recovery in C+-irradiated Ti3SiC210.1016/j.actamat.2013.11.019 ↗
21. Irradiation damage in Ti3(Si, Al)C2: a TEM investigation10.1111/j.1744-7402.2010.02523.x ↗
22. Pressure of stable He–vacancy complex in bcc iron: molecular dynamics simulations10.1016/j.nimb.2009.06.089 ↗
23. A description of bubble growth and gas release during thermal annealing of helium implanted copper10.1016/j.nimb.2003.10.013 ↗
24. Modeling microstructure evolution of f.c.c. metals under irradiation in the presence of He10.1016/j.jnucmat.2003.08.003 ↗
25. Thermal stability of helium-vacancy clusters in iron10.1016/S0168-583X(02)01832-3 ↗
26. Solid phase transition of overpressurised helium bubbles seen from positron annihilation studies10.1016/S0375-9601(01)00091-3 ↗
27. Helium desorption from Fe and V by atomic diffusion and bubble migration10.1103/PhysRevB.44.4206 ↗
28. Formation energies of helium-void complexes in nickle10.1016/0022-3115(89)90220-1 ↗
29. Mechanism map for nucleation and growth of helium bubbles in metals10.1016/j.jnucmat.2006.03.007 ↗
30. Ab initio study of helium in alpha-Fe: dissolution, migration, and clustering with vacancies10.1103/PhysRevB.72.064117 ↗
31. The effects of grain boundary structure on binding of He in Fe10.1016/j.jnucmat.2004.04.262 ↗
32. Effects of He irradiation on Ti3AlC2: damage evolution and behavior of He bubbles10.1016/j.jnucmat.2013.04.070 ↗
33. Decohesion of Ti3SiC2 induced by He impurities10.1016/j.matlet.2012.05.093 ↗
34. Role of nanolaminated crystal structure on the radiation damage tolerance of Ti3SiC2: theoretical investigation of native point defects10.1155/2013/831590 ↗
35. Cleavage fracture in Ti3SiC2 from first-principles10.1016/j.scriptamat.2007.11.043 ↗
36. Effect of helium irradiation on Ti3AlC2 at 500°C10.1016/j.scriptamat.2013.12.010 ↗
37. Embrittlement of interfaces by solute segregation10.1016/0921-5093(89)90372-9 ↗
38. First-principles calculations of the thermal stability of Ti3SiC2(0001) surfaces10.1016/j.susc.2011.08.011 ↗
39. Thermal stability of Ti3SiC2 thin films10.1016/j.actamat.2006.10.010 ↗
40. Kinetics of phase decomposition in MAX phases – a comparative diffraction study
41. Kinetics of helium self-trapping in metals10.1103/PhysRevB.27.2210 ↗
42. Atomistics of helium bubble formation in face-centered cubic metal10.1103/PhysRevB.13.2470 ↗
43. Theory of small clusters of helium in metals10.1080/00337578308207356 ↗
44. Growth of Ti3SiC2 thin films by elemental target magnetron sputtering10.1063/1.1790571 ↗