论文标题
描述化学不同类型原子之间相互作用的原子间潜在模型的一些关系
Some Relationships for the Inter-Atomic Potential Models Describing the Interaction between the Chemically Different Type Atoms
论文作者
论文摘要
三参数Lenard-Jones和Morse的原子间电位是最简单的，可用于获得液体和固体物质的热物理特性。将模型参数调整为真实物质性能后，可以使用良好的原子势来描述简单的单分量物质。通常，这些树参数可以从内聚能，散装模量和摩尔体积数据或晶格参数中找到，这些参数是在实验中用于纯化学晶体材料的实验获得的。在我们的论文中，对于Lenard-Jones的潜在类型和Morse的原子，或任何其他三个参数势类型，我们都提出了一些方便的模型关系，通过先前发现的纯化学元素来表达相应的三个参数。
Three-parametric Lenard-Jones and Morse interatomic potentials are the simplest ones, which that can be used to obtain thermophysical properties of the liquid and solid substances. Upon adjusting the model parameters to real substance properties, the interatomic potentials can be used to describe simple mono-component substance with good accuracy. Usually, these tree parameters can be found from the cohesion energy, bulk moduli and the molar volume data or the lattice parameters, obtained experimentally for pure chemically crystalline materials. In our paper, in case of chemically different atoms, for both the Lenard-Jones potential type and the Morse ones, or any other three-parametric potential type, we propose some convenient model relationships expressing the corresponding three parameters through the previously found ones for pure chemical elements.
