Two-structure model for simple metals

Na–Pb liquid alloy structure at low lead concentrations: Neutron-diffraction studies

“…2 the experimental S(Q) values are compared with the results of MD simulation for the pure sodium and Na-Pb alloys with the lead concentration of 2 and 9 at.% at 698 K (see details in [20,21]). For liquid sodium modeling the Fourier-transformation of Ashcroft's local potential [22] was used.…”

Aqueous Nanofluid as a Two-Phase Coolant for PWR

“…MD simulations of density fluctuations in liquid metals [9,10] have shown that their dense tetrahedral clusters are characterized by vertex connections as well as in liquid water the low-density ice crystallites are divided by dense tetrahedral clusters with an asymmetrical structure [1]. However these clusters (see Figure 1(a)) are more complicated due to the effect of hydrogen bonds but the frame of them as a broken red line connecting the centers of tetrahedrons is also ramified [20].…”

“…A topological structure of density fluctuations in condensed matter has been studied by molecular-dynamics (MD) simulation as ramified clusters of almost regular Delaunay's simplexes (tetrahedrons) built on the fours of densely packed atoms and connected in pairs by faces as tetrahedral Bernal's chains [6,7]. The review of publications on this subject is presented in the monograph [8] and a topological criterion [9][10][11] is offered for finding these simplexes exactly. Such a criterion allows making the selection of the dense-part simplexes by fixing the overall length of their edges in a point of maximum number of obtained clusters in the MD cell.…”

Topological structure of density fluctuations in condensed matter

“…MD-studying the density fluctuations of the liquid [10], amorphous, and crystalline [4] states has shown that their dense part of tetrahedral clusters is characterized by vertex connections [12]. These connections are asterisked in Fig.…”