Thermodynamic properties, mechanical properties and interatomic potential in solids: a Shou-Shi-Ling ([InlineMediaObject not available: see fulltext.]) game

Enrico Benassi, Haiyan Fan

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
JournalContinuum Mechanics and Thermodynamics
DOIs
Publication statusAccepted/In press - 2021

Keywords

  • Heat capacity
  • Sublimation enthalpy
  • Thermal expansion coefficient
  • Young’s modulus

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)

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