Structure of liquid metal alloys: Transferability of local pseudopotentials – A preliminary study

Liquid metals: early contributions and some recent developments

“…These studies either used first principles PPs or a local model to calculate partial liquid structure factors and predict, for instance, the homocoordination preference and demixing [82] -for an overview see [83]. However, the fact that the agreement can be better with simple local models than with non-local norm-conserving PP for pure metals and alloys [84] shows that the situation is not completely clear and raises questions about the use of the corresponding effective pair potentials in classical molecular dynamics [85]. In the same vein, we mention an attempt to go beyond mixtures of simple metals in [86].…”

Rotational rheometry of liquid metal systems: Measurement geometry selection and flow curve analysis

“…Neutron diffraction and X-ray diffraction experiments show that, similar to thixotropic systems, liquid metal systems have a structure with strong atomic bond energies and short range orders [1,25]. The coordination number, which is the number of atoms or molecules surrounding any given atom or molecule, is higher for liquid metallic systems (metallic bonding) at around 10-12; giving it a more coordinated structure than liquid non-metallic systems (covalent and electrovalent bonding) with a coordination number in the range of 2-4 [26,27].…”