Equivalence between higher-order stress power and heat flux in energy equation based on lattice dynamics

Yoshihiro Yasui, Kazuyuki Shizawa, Kunihiro Takahashi

Research output: Contribution to journalArticle

Abstract

In the previous papers, a method is proposed to obtain microscopic definitions for internal forces of continua such as stress, higher-order stresses and heat flux. In the present paper, the relationship between higher-order stress power and heat flux is discussed, expressing the 1 st law of thermodynamics with microscopic quantities in mesodomain. Then an energy equation is obtained by dividing the kinematical quantity of an atom into macroscopic and thermal motion. It is clarified that heat flux in the energy equation is equivalent to higher-order stress power since heat flux is regarded as the amount of each order power due to higher-order stresses. When higher-order stress power is separated from heat flux in the energy equation considering this equivalence, the value of heat flux decreases. These expressions of heat flux and higher-order stress are useful to obtain macroscopic quantities from numerical solutions calculated by the molecular dynamics.

Original languageEnglish
Pages (from-to)595-602
Number of pages8
JournalNippon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A
Volume63
Issue number607
Publication statusPublished - 1997 Mar
Externally publishedYes

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Lattice vibrations
Heat flux
Molecular dynamics
Thermodynamics
Atoms

ASJC Scopus subject areas

  • Mechanical Engineering

Cite this

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abstract = "In the previous papers, a method is proposed to obtain microscopic definitions for internal forces of continua such as stress, higher-order stresses and heat flux. In the present paper, the relationship between higher-order stress power and heat flux is discussed, expressing the 1 st law of thermodynamics with microscopic quantities in mesodomain. Then an energy equation is obtained by dividing the kinematical quantity of an atom into macroscopic and thermal motion. It is clarified that heat flux in the energy equation is equivalent to higher-order stress power since heat flux is regarded as the amount of each order power due to higher-order stresses. When higher-order stress power is separated from heat flux in the energy equation considering this equivalence, the value of heat flux decreases. These expressions of heat flux and higher-order stress are useful to obtain macroscopic quantities from numerical solutions calculated by the molecular dynamics.",
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AU - Shizawa, Kazuyuki

AU - Takahashi, Kunihiro

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