First-principles study of the ideal cleavage fracture of Cr2Nb microalloyed by X (Al, Ni, Co, Ti)

Strengthening boron carbide through lithium dopant

“…It has been speculated that microalloying has a significant effect on the mechanical properties of materials, such as elasticity, plasticity, ductility, hardness, strength, stiffness, and impact resistance . For example, microalloying of Sc, Ni, and Ce into C912 alloy (Al‐Zn‐Mg‐Cu based alloy) significantly improves its strength and stress corrosion cracking resistance .…”

“…17 It has been speculated that microalloying has a significant effect on the mechanical properties of materials, such as elasticity, plasticity, ductility, hardness, strength, stiffness, and impact resistance. [35][36][37][38] For example, microalloying of Sc, Ni, and Ce into C912 alloy (Al-Zn-Mg-Cu based alloy) significantly improves its strength and stress corrosion cracking resistance. 39 Particularly, the yield strength of Al-Zn-Mg alloy has been increased to 66 MPa by adding 0.10 wt% Sc and 0.10 wt% Zr, and it is increased to 96 MPa through adding 0.25 wt% Sc and 0.10 wt% Zr.…”

Effects of X (V, W, Mo, Hf, Ta, Zr) additions on the ideal cleavage fracture of Cr2Nb: First-principles determination

“…From the theoretical aspect, Chan [12] studied the effect of Ge and Si on the fracture toughness of Cr 2 Nb using first-principles method. Li et al [13] investigated the ideal cleavage fracture of Cr 2 Nb with the additive elements X (Al, Ni, Co and Ti) using first-principles method.…”

Site occupancy of transition elements in C15 NbCr2 laves phase: A first-principles study

“…Through first-principles calculation, Yao et al [18] showed that V prefers to take the site of Cr. The occupancy of elements Ni and Co was investigated by Li et al [33], and Wu et al [17] studied the site occupancy of Mn in NbCr 2 by combining thermodynamic modeling with firstprinciples calculation. Their results [17,33] show that these elements take the site of Cr.…”