Most of the softer metals exhibit a low-temperature close-packed phase, an intermediate-temperature body-centered phase, and a high-temperature fluid phase. Here we relate this behavior to that of theoretical model systems in which particles interact with the inverse power potential φ (r)=ε ( σ / r)n. We show that the same three-phase behavior occurs for the models provided that the interparticle repulsion is sufficiently soft (n ≤ 7). For the model systems the phase boundary between the close-packed and the body-centered phases is located using lattice dynamics. The fluid—solid melting line is deduced from Monte Carlo computer experiments.
Articles you may be interested inA class of exact dynamical solutions in the elastic rod model of DNA with implications for the theory of fluctuations in the torsional motion of plasmids Cell-like models for many-body thermodynamic properties can be derived by considering the motion of a single very light particle in a classical system. Because the configuration probabilities are mass independent, the pressure and the energy calculated for such a light particle are identical with thermodynamic values. In the special case of hard spheres it is shown that the pressure from collisions is proportional to the surface-to-volume ratio of the hard sphere free volume.
Theoretical calculations, together with diamond anvil measurements on the iron γ‐ε phase boundary to high pressure, suggest that a new bcc phase appears in iron at high pressures and temperatures. This bcc phase may be responsible for the shock anomaly observed in iron at 2.0 Mbar, and the solid inner core of the Earth may be in this phase.
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