Origin of medium-range atomic correlation in simple liquids: Density wave theory

نویسندگان

چکیده

The atomic pair-distribution function of simple liquid and glass shows exponentially decaying oscillations beyond the first peak, representing medium-range order (MRO). structural coherence length that characterizes exponential decay increases with decreasing temperature freezes at transition. Conventionally, structure is elucidated by focusing on a center atom its neighboring shell characterized short-range (SRO) describing global in terms overlapping local clusters atoms as building units. However, this bottom-up approach fails to explain strong drive form MRO, which different nature from SRO. We propose add an alternative top-down based upon density wave theory. In approach, one starts high-density gas state seeks minimize potential energy reciprocal space through waves using pseudopotential. driving forces are not mutually compatible, competition compromise between them result final MRO. This even-handed provides more intuitive explanation glass.

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ژورنال

عنوان ژورنال: AIP Advances

سال: 2023

ISSN: ['2158-3226']

DOI: https://doi.org/10.1063/5.0159044