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Abstract <p>Theoretical investigation demonstrates that the effect observed during crystallization under isostatic pressure is determined by how the atoms involved interact with each other and how they form particular compounds. We formulate concepts that are used as a basis for a model of a crystal lattice in an equilibrium state without any external influences. A system of equations is derived which allows one to find the key parameters characterizing the configuration of the outer electron shell of an atom under isostatic pressure. The main parameters describing the electron density distribution of the native shells of an atom are determined.</p>

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A Theoretical Model for the Formation of Crystal Structures upon Crystallization under Isostatic Pressure

  • 期刊论文

  • 发表日期：

    2025年5月1日

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  • M. S. Denisov,
  • P. A. Chebotarev,
  • K. E. Davydov

摘要

Abstract

Theoretical investigation demonstrates that the effect observed during crystallization under isostatic pressure is determined by how the atoms involved interact with each other and how they form particular compounds. We formulate concepts that are used as a basis for a model of a crystal lattice in an equilibrium state without any external influences. A system of equations is derived which allows one to find the key parameters characterizing the configuration of the outer electron shell of an atom under isostatic pressure. The main parameters describing the electron density distribution of the native shells of an atom are determined.