Damage tolerance of Ti3SiC2 to high energy iodine irradiation

Zhang, Lei; Qi, Qi; Shi, Linna; O’Connor, D.J.; King, B.V.; Kisi, Erich H.; Venkatachalam, Dinesh Kumar

doi:10.1016/j.apsusc.2012.03.022

Cited by 83 publications

(61 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…This will result in a strong crystal orientation effect to defect recombination and therefore radiation tolerance. The high population of defects accompanied by the tolerance to amorphization was reported by Zhang et al . who exposed Ti 3 SiC 2 to high‐energy iodine irradiation (up to 10.3 dpa).…”

Section: Discussionmentioning

confidence: 52%

Accommodation, Accumulation, and Migration of Defects in Ti₃SiC₂ and Ti₃AlC₂ MAX Phases

2013

View full text Add to dashboard Cite

We have determined the energetics of defect formation and migration in Mn+1AXn phases with M = Ti, A = Si or Al, X = C, and n = 3 using density functional theory calculations. In the Ti3SiC2 structure, the resulting Frenkel defect formation energies are 6.5 eV for Ti, 2.6 eV for Si, and 2.9 eV for C. All three interstitial species reside within the Si layer of the structure, the C interstitial in particular is coordinated to three Si atoms in a triangular configuration (C–Si = 1.889 Å) and to two apical Ti atoms (C–Ti = 2.057 Å). This carbon–metal bonding is typical of the bonding in the SiC and TiC binary carbides. Antisite defects were also considered, giving formation energies of 4.1 eV for Ti–Si, 17.3 eV for Ti–C, and 6.1 eV for Si–C. Broadly similar behavior was found for Frenkel and antisite defect energies in the Ti3AlC2 structure, with interstitial atoms preferentially lying in the analogous Al layer. Although the population of residual defects in both structures is expected to be dominated by C interstitials, the defect migration and Frenkel recombination mechanism in Ti3AlC2 is different and the energy is lower compared with the Ti3SiC2 structure. This effect, together with the observation of a stable C interstitial defect coordinated by three silicon species and two titanium species in Ti3SiC2, will have important implications for radiation damage response in these materials.

show abstract

Section: Discussionmentioning

confidence: 52%

Accommodation, Accumulation, and Migration of Defects in Ti₃SiC₂ and Ti₃AlC₂ MAX Phases

2013

View full text Add to dashboard Cite

show abstract

“…3, 5 and 6, XRD and TEM results show an obvious phase transformation from the original hcp structure to an fcc structure with twinned sequences of ABCABC and CBACBA along ½1 1 1 orientation at 1 Â 10 16 cm À2 , which was also observed in Ti 3 SiC 2 [8,9]. Fig.…”

Section: The Formation and Growth Of The Irradiation-induced Fcc Phasementioning

confidence: 70%

“…M n + 1 AX n phases (n = 2), especially Ti 3 AlC 2 and Ti 3 SiC 2 , as two typical MAX phases, have been frequently used to investigate the performance under ion irradiation [7][8][9][10][11][12][13][14][15][16]. Similar to Ti 3 AC 2 (A = Al/Si), Ti 2 AlC phase has an isomorphous hexagonal-closepacked structure whose space group is P6 3 /mmc (No.…”

Section: Introductionmentioning

confidence: 99%

Irradiation-induced structural transitions in Ti 2 AlC

et al. 2015

View full text Add to dashboard Cite

“…A large number of experimental studies [11,12,13,14,24,25,26,27,28,29,30,31] have investigated the properties of Ti 3 SiC 2 and Ti 3 AlC 2 when subjected to irradiation with heavy ions and neutrons. Nappé et al [11] studied the defect properties of Ti 3 SiC 2 under Au-, Kr-, and Xe-ion irradiation.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of Vacancies in Ti3SiC2 and Ti3AlC2

et al. 2017

View full text Add to dashboard Cite

MAX phase materials have attracted increased attention due to their unique combination of ceramic and metallic properties. In this study, the properties of vacancies in Ti3AlC2 and Ti3SiC2, which are two of the most widely studied MAX phases, were investigated using first-principles calculations. Our calculations indicate that the stabilities of vacancies in Ti3SiC2 and Ti3AlC2 differ greatly from those previously reported for Cr2AlC. The order of the formation energies of vacancies is VTi(a) > VTi(b) > VC > VA for both Ti3SiC2 and Ti3AlC2. Although the diffusion barriers for Ti3SiC2 and Ti3AlC2 are similar (~0.95 eV), the properties of their vacancies are significantly different. Our results show that the vacancy–vacancy interaction is attractive in Ti3AlC2 but repulsive in Ti3SiC2. The introduction of VTi and VC vacancies results in the lattice constant c along the [0001] direction increasing for both Ti3SiC2 and Ti3AlC2. In contrast, the lattice constant c decreases significantly when VA are introduced. The different effect of VA on the lattice constants is explained by enhanced interactions of nearby Ti layers.

show abstract

Damage tolerance of Ti3SiC2 to high energy iodine irradiation

Cited by 83 publications

References 26 publications

Accommodation, Accumulation, and Migration of Defects in Ti₃SiC₂ and Ti₃AlC₂ MAX Phases

Accommodation, Accumulation, and Migration of Defects in Ti₃SiC₂ and Ti₃AlC₂ MAX Phases

Irradiation-induced structural transitions in Ti 2 AlC

First-Principles Study of Vacancies in Ti3SiC2 and Ti3AlC2

Contact Info

Product

Resources

About

Damage tolerance of Ti3SiC2 to high energy iodine irradiation

Cited by 83 publications

References 26 publications

Accommodation, Accumulation, and Migration of Defects in Ti3SiC2 and Ti3AlC2 MAX Phases

Accommodation, Accumulation, and Migration of Defects in Ti3SiC2 and Ti3AlC2 MAX Phases

Irradiation-induced structural transitions in Ti 2 AlC

First-Principles Study of Vacancies in Ti3SiC2 and Ti3AlC2

Contact Info

Product

Resources

About

Accommodation, Accumulation, and Migration of Defects in Ti₃SiC₂ and Ti₃AlC₂ MAX Phases

Accommodation, Accumulation, and Migration of Defects in Ti₃SiC₂ and Ti₃AlC₂ MAX Phases