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Phase Prediction of Elements Using the Continuous Repulsive Volumetric Dynamics (CRVD) Model

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Zenodo2026-05-21 更新2026-05-26 收录
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A novel unified model, the Continuous Repulsive Volumetric Dynamics (CRVD), is introduced for the prediction of the physical phase (solid, liquid, or gas) of chemical elements under standard thermodynamic conditions. The model posits that the macroscopic phase state emerges from a competition between a quantum-derived repulsive volume of the electron cloud and a structural confinement volume defined by the atomic lattice or molecular assembly. The central predictive parameter is a dimensionless ratio, , which compares the temperature-dependent effective occupied volume to a quantum structural reference volume. The model incorporates corrections for thermal expansion via a power-law term and for molecular bonding via a stoichiometric factor. Using only fundamental atomic parameters—atomic number and the effective quantum number of the valence shell—CRVD achieves a consistent classification of phases for 118 elements at both 0 K and 300 K. The computational procedure is explicit and reproducible, providing a simple yet physically intuitive framework for understanding phase behavior across the periodic table.

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Zenodo
创建时间:
2026-05-21
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