Behavior of Lead-Bismuth eutectic (LBE) expansion caused by phase transition in response to heat treatment

Cohesive properties of PbBi/Fe3O4 and PbBi/(Fe,Cr)3O4 interfaces

“…45 Secondly, it can be seen that the calculated lattice constants of the B h structure agrees well with the experimental observation, i.e., the present obtained values of 3.541 and 5.841 Å are consistent with the results of 3.5058 and 5.797 Å of the e phase from experiments. 31 In addition, LBE is a mixture of a-Bi and e phases at 227.15-398.65 K from the phase diagram of Bi-Pb, 31,45 and both a-Bi and e phases can be described by hexagonal lattices. 45 From the above points, the B h structure is, therefore, chosen for the following calculations of surfaces and interfaces of PbBi.…”

“…Unlike the oxide, the lead-bismuth eutectic (LBE), an alloy with 44.5% of Bi and 55.5 of Pb in weight, is in the liquid state during application. 31,32 However, it is difficult to simulate the surface and interface structure of a liquid alloy via firstprinciples methods, and the liquid state cannot be described accurately. Thus, three crystal structures including the B2 in the body-centered cubic (BCC) lattice, L1 0 in the face-centered cubic (FCC) lattice and B h in the primitive hexagonal (hexagonal) lattice crystal structure, with stoichiometric 50% of Bi and 50% of Pb, are taken into consideration as the potential possible states of the LBE for the sake of investigations of electronic structures and simplified calculations.…”