Two formulae were developed to express sublimation enthalpy and Young’s modulus on a thermodynamic basis. The first formula reveals how the sublimation enthalpy is correlated with the thermal expansion coefficient and heat capacity of solids, whereas the second formula relates the Young’s modulus with sublimation enthalpy and equilibrium interatomic (intermolecular) distance. While the formulae themselves divulge the physical nature of the macroscopic properties such as sublimation enthalpy, coefficient of thermal expansion and Young’s modulus, these two formulae provide alternative ways to quantitatively estimate thermodynamic or mechanical properties of great importance in the development of new materials. Built upon these formulae, the effective connection among mechanical, thermodynamic properties along with the microscopic feature, the interatomic potential, was found fairly useful in the areas such as medicinal designing, environmental research, evaluation of the contamination in specific, and the development of lithium ion batteries, superconducting and even architectural materials, wherein either thermodynamic or mechanical properties or both are imperative.

开发了两个公式来表示热力学上的升华焓和杨氏模量。第一个公式揭示了升华焓与固体的热膨胀系数和热容之间的关系，而第二个公式则将杨氏模量与升华焓和平衡的原子间（分子间）距离联系起来。虽然公式本身泄漏了诸如升华焓，热膨胀系数和杨氏模量等宏观性质的物理性质，但这两个公式提供了定量评估在新材料开发中非常重要的热力学或机械性质的替代方法。在这些公式的基础上，机械，热力学特性以及微观特征之间的有效联系，