Theoretical investigations of hardness in hexaborides ReB6 (Re = La, Ce, Nd) compounds and their solid solutions, La1−CexB6 and Nd1−CexB6: A DFT + U + SO study

Bellahcene, Nafissa; Dahani, Ameur; Dine, Khaled; Djermouni, Mostefa; Cherifi, Abdelhamid; Arbouche, Omar; Zaoui, Ali; Kacimi, Salima

doi:10.1016/j.commatsci.2023.112395

Cited by 3 publications

(3 citation statements)

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“…Futamoto et al 11 have reported the hardness of NdB 6 single crystals around 19 GPa when measured at 200 g load. Bellahcene et al 3 reported a theoretically calculated hardness of NdB 6 by DFT method as 25 GPa, which closely matches with the present experimental value of 23.8 GPa. Sonber et al 25,26 reported that the hardness values of LaB 6 and EuB 6 are 20.3 and 18.1 GPa, respectively.…”

Section: Mechanical Propertiessupporting

confidence: 90%

“…1 NdB 6 has many applications in advanced technologies due to its superior properties such as high melting point, low work function, high hardness, low vapor pressure, chemical stability, superconductivity, good neutron absorption cross section, and narrow band semi conductivity. [1][2][3] NdB 6 is a candidate material for neutron absorber application in nuclear reactors due to high neutron absorption cross section of boron atom (3800 barn for B 10 isotope). 4 Due to its superior thermal properties as well the presence of dominant covalent bonds and capable of absorbing thermal, epithermal, and fast neutrons, it can be used as neutron absorber applications in generation-IV, high temperature, advanced, fast, liquid metal coolant, and fusion nuclear reactors.…”

Section: Introductionmentioning

confidence: 99%

“…Liu et al 18 have synthesized NdB 6 powder by the solid-state reaction of Nd 2 O 3 and B 4 C at 1500 • C. Ding et al 19 have synthesized NdB 6 nanowires by reacting Nd powders, boron trichloride (BCl 3 ) gas mixed with hydrogen and argon. Yadav et al 10 have synthesized NdB 6 nanorods by the reaction of Nd(OH) 3 and NaBH 4 at 1000 • C using a very low heating rate of 40…”

Section: Introductionmentioning

confidence: 99%

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Studies on synthesis, densification, and characterization of neodymium hexaboride

Sonber,

Murthy,

Paul

et al. 2024

Int J Applied Ceramic Tech

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Neodymium hexaboride (NdB6) is an important rare‐earth hexaboride material that has many structural and functional applications in advanced technologies. This paper presents the results on experimental studies of synthesis, densification, microstructural characterization, and mechanical properties of NdB6. Single‐phase NdB6 powder was obtained by the carbothermic reduction of Nd2O3 and B4C at optimized conditions and charge composition. Densification of NdB6 powders was carried out by pressureless sintering and hot pressing. The highest density of 93% theoretical density (TD) was obtained at 1800°C by hot pressing for 2 h in a vacuum, whereas 79% TD was obtained by pressureless sintering at 1900°C. However, 99.9% dense NdB6 was obtained by adding a sintering aid of 5 wt.% B4C using a hot‐pressing technique at 1800°C. Microstructural characterization revealed no significant grain growth during hot pressing at 1800°C, and a dominant transgranular mode of fracture was observed in fractography. Hardness values were measured as 23.8 and 28.8 GPa, respectively, by two different techniques micro‐ and nanohardness testers. Fracture toughness and elastic modulus of hot‐pressed NdB6 sample were measured as 3.04 MPa m1/2 and 484 GPa, respectively. The flexural strength of dense NdB6 was obtained as 156 MPa by three‐point bend test.

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