Characteristics of microstructure, swelling and mechanical behaviour of titanium beryllide samples after high-dose neutron irradiation at 740 and 873K

Kurinskiy, P.; Moeslang, A.; Chakin, V.; Klimenkov, M.; Rolli, R.; Til, S. van; Goraieb, A.

doi:10.1016/j.fusengdes.2013.05.084

Cited by 27 publications

(12 citation statements)

References 10 publications

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“…TiBe 12 is a promising candidate for neutron multiplier applications in future fusion reactors due to its exceptional combination of material properties (Dorn et al, 2009). Based on earlier investigations (Raeuchle & Rundle, 1952;Raeuchle & von Batchelder, 1955;Zalkin et al, 1961;Gillam et al, 1964), several modern papers equally assume both hexagonal (Dorn et al, 2009;Liu et al, 2015;Peng, 2015) and tetragonal (Kurinskiy et al, 2013;Munakata et al, 2007;Reimann et al, 2009;Chakin et al, 2011) structures. In particular, most of the modelling efforts have been carried out on the hexagonal structure (Liu et al, 2015;Peng, 2015).…”

Section: Introductionmentioning

confidence: 99%

“…Based on earlier investigation [2][3][4][5], several modern papers equally assume both hexagonal [1,6,7] and tetragonal [8][9][10][11] structures. In particular, most of the modelling efforts have been carried out on the hexagonal structure [6,7].…”

Section: Introductionmentioning

confidence: 99%

“…Several recent studies [6,7] have used/assumed a sub-cell of the hexagonal crystal structure identified by Raeuchle and Rundle [8] with lattice parameters of a = 4.26 Å and c = 7.33 Å. This differs from the structure defined by the full unit cell in that Ti atoms between alternate sub-cells should be displaced by ±½[0001] in a disordered fashion.…”

Section: Introductionmentioning

confidence: 99%

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Resolving the structure of TiBe₁₂

Jackson

Burr

Grimes

2016

Acta Crystallogr Sect B

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There has been considerable controversy regarding the structure of TiBe12, which is variously reported as hexagonal and tetragonal. Lattice dynamics simulations based on density functional theory (DFT) show the tetragonal phase space group I4/mmm to be more stable over all temperatures, while the hexagonal phase exhibits an imaginary phonon mode, which, if followed, would lead to the cell adopting the tetragonal structure. We then report the predicted ground state elastic constants and temperature dependence of the bulk modulus and thermal expansion for the tetragonal phase.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Resolving the structure of TiBe₁₂

Jackson

Burr

Grimes

2016

Acta Crystallogr Sect B

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“…This trend is markedly different from ref. 17. This indicates that Be 12 Ti will also behave in a brittle manner at pressure up to 100 GPa, but it has a tendency towards the development of ductility, indicating that the external pressure can improve the brittleness of tetragonal Be 12 Ti alloys.…”

Section: Elastic Propertiesmentioning

confidence: 95%

“…12,13 From early literature, more research has focused on experimental aspects for Be 12 Ti, especially for the fabrication and tritium release under normal conditions. [14][15][16][17] Although there are a few theoretical calculations for Be-Ti alloys, they mainly focus on hexagonal Be 12 Ti alloy, 18,19 as for the tetragonal Be 12 Ti, its elastic and thermodynamic properties under high temperature and pressure are missing. Hence, it is necessary to obtain the elastic anisotropy and thermodynamic properties of tetragonal Be 12 Ti alloy at high temperature and high pressure.…”

Section: Introductionmentioning

confidence: 99%

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be₁₂Ti

et al. 2019

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The elastic and thermodynamic properties of tetragonal Be 12 Ti under high temperature and pressure are investigated by first-principles calculations based on pseudopotential plane-wave density functional theory (DFT) within the generalized gradient approximation (GGA) and quasi-harmonic approximation (QHA). The calculated lattice parameters and bulk modulus are in good agreement with the available experimental data. The calculated elastic constants of Be 12 Ti increase monotonously with increasing pressure, and the elastic stability criterion and the phonon dispersion calculation show that the Be 12 Ti crystal satisfies the mechanical and dynamic stability under applied pressure (0-100 GPa). The related mechanical properties such as bulk modulus (B), shear modulus (G), Young's modulus (E), and Poisson's ratio (n) are also studied for polycrystalline of Be 12 Ti; the calculated B/G value shows that Be 12 Ti behaves in a brittle manner, and higher pressure can significantly improve the brittleness of Be 12 Ti. The elastic anisotropy is demonstrated by the elastic anisotropy factors. The direction-dependent Young's modulus and bulk modulus of Be 12 Ti are dealt with in detail under pressure from 0 GPa to 100 GPa. The pressure and temperature dependencies of the relative volume, the bulk modulus, the elastic constants, the heat capacity and the thermal expansion coefficient, as well as the entropy are obtained and discussed using the quasi-harmonic approximation in the ranges of temperature 0-1600 K and pressure 0-100 GPa.

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Study of Vacancy Clusters and Antisite Defects in Titanium Beryllide Be₁₂Ti Using Positron Annihilation Spectroscopy

Xu,

Yang,

Popov

et al. 2024

Physica Status Solidi (b)

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Beryllium (Be) intermetallic compounds (beryllides) are promising materials for neutron multiplication in fusion reactors. In particular, titanium beryllide (Be12Ti) exhibits low swelling and good corrosion resistance compared to other beryllides. Herein, the defects in neutron‐irradiated Be12Ti are investigated using positron annihilation spectroscopy, and the results are analyzed based on positron annihilation calculations. Calculation results indicate that the positron lifetime in a perfect Be12Ti crystal is 134.2 ps, while that of a Be monovacancy is found to be within the 177.3–195.0 ps range, depending on the configuration of the monovacancy. On the other hand, the positron lifetime of the Ti monovacancy is 222.7 ps. In addition, the lifetimes of the Be and Ti vacancy clusters increase with an increase in the number of vacancies. Finally, the positron lifetimes of the antisite defects in different configurations are found to be within the 137.9–141.7 ps range. In contrast to the calculated results, the positron lifetime of unirradiated Be12Ti is 141.1 ps. Furthermore, in the neutron‐irradiated Be12Ti, no vacancies are detected and only Be dislocation loop formation occur based on the calculation results. Although the irradiation dose of Be12Ti is low, its irradiation resistance is satisfactory.

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Characteristics of microstructure, swelling and mechanical behaviour of titanium beryllide samples after high-dose neutron irradiation at 740 and 873K

Cited by 27 publications

References 10 publications

Resolving the structure of TiBe₁₂

Resolving the structure of TiBe₁₂

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be₁₂Ti

Study of Vacancy Clusters and Antisite Defects in Titanium Beryllide Be₁₂Ti Using Positron Annihilation Spectroscopy

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Characteristics of microstructure, swelling and mechanical behaviour of titanium beryllide samples after high-dose neutron irradiation at 740 and 873K

Cited by 27 publications

References 10 publications

Resolving the structure of TiBe12

Resolving the structure of TiBe12

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be12Ti

Study of Vacancy Clusters and Antisite Defects in Titanium Beryllide Be12Ti Using Positron Annihilation Spectroscopy

Contact Info

Product

Resources

About

Resolving the structure of TiBe₁₂

Resolving the structure of TiBe₁₂

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be₁₂Ti

Study of Vacancy Clusters and Antisite Defects in Titanium Beryllide Be₁₂Ti Using Positron Annihilation Spectroscopy