The equation of state of an energy landscape

Article Abstract:

The method by which a system explores its inherent energy structure as a function of temperature provide a clue into the system's dynamic behavior. In a similar manner, samplings in density that pay particular attention to the relationship between bulk density and the pressure of mechanically stable configurations offers insight into the mechanical strength of amorphous materials. The results suggest the existence of a previously undetected connection with a superheated liquids spinodal curve.

Amorphous substances, Amorphous materials, Glass research

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Inherent-structure view of self-diffusion in liquids

Article Abstract:

A study involving a series of classical molecular dynamics simulations for the pairwise-additive Dzugutov potential model at reduced density 0.85, and over a wide temperature range that encompasses equilibrium and supercooled liquid states, as well as the crystal is presented. The observations revealed that the simulations produced mean-square particle displacement results both for the Newtonian trajectory and for the inherent-structure alternatives.

Science & research, Molecular dynamics, Chemistry, Physical and theoretical, Physical chemistry

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Model energy landscape

Article Abstract:

The multidimensional potential-energy 'landscape' formalism offers useful insights into the properties of supercooled liquids and glasses. However, its mathematical fundamentals present formidable subtlety and complexity. The logarithmic modification has the effect of eliminating the positive-temperature ideal glass transition of the precursor pure-Gaussian model.

Primary Metal Manufacturing, PRIMARY METAL INDUSTRIES, Amorphous Metals, Usage, Thermal properties, Metallic glasses, Gaussian processes

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