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THE RELATIVE VARIATIONAL MODEL A topological view of matter and its properties: space occupancy by the atoms

机译:相对变分模型物质及其性质的拓扑视图:原子的空间占用

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Formal definitions of convergence, connectedness and continuity were established to characterize and describe the crystalline solid and its properties as a unified notion in the topological space. In this unified notion, physical and material properties are modeled by means of an intrinsic and invariable form function: the Relative Variational Model. The crystalline solid is assumed an empty space that has been filled with atoms and phonons, i.e., the crystal is built with packages of matter and energy in a regular and orderly repetitive pattern along three orthogonal dimensions of the space. The spatial occupation of the atom in the crystalline structure is determined by its mean vibrational volume, which also defines the lattice parameter or interatomic distance. However, as packages of vibrational energy, phonons can only exist as vibrations of atoms. Any variation of internal energy is in fact the discretized variations of phonon's population. These variations occur in the quantized modes of vibration, and therefore the balance between the frequency and amplitude of vibrations also is a dynamic variable. In this paper, the Relative Variational Model was applied to deconvolutions of frequency spectra of the inelastic neutron scatterings. Some dynamic aspects of atom vibration were presented and evaluated in support to the model's fundamentals.
机译:建立了合并,关联和连续性的正式定义,以表征和描述结晶固体及其属性作为拓扑空间中的统一概念。在该统一的概念中,物理和材料属性通过内在和不变的形式功能来建模:相对变分模型。假设结晶固体被填充有原子和声子的空间,即,晶体以沿着空间的三个正交尺寸的规则且有序的重复图案用物质和能量的包装构建。晶体结构中原子的空间占用由其平均振动体积确定,其也限定了晶格参数或内部距离。然而,作为振动能量的包,声子只能作为原子的振动存在。内部能量的任何变化实际上是声子的人口的离散变化。这些变化发生在量化的振动模式中,因此振动的频率和幅度之间的平衡也是动态变量。本文中,将相对变分模型应用于非弹性中子散射频谱的去折叠。提出和评估了原子振动的一些动态方面,支持模型的基本面。

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