### 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 language | English |
---|---|

Pages (from-to) | 595-602 |

Number of pages | 8 |

Journal | Nippon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A |

Volume | 63 |

Issue number | 607 |

Publication status | Published - 1997 Mar |

Externally published | Yes |

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### ASJC Scopus subject areas

- Mechanical Engineering

### Cite this

*Nippon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A*,

*63*(607), 595-602.

**Equivalence between higher-order stress power and heat flux in energy equation based on lattice dynamics.** / Yasui, Yoshihiro; Shizawa, Kazuyuki; Takahashi, Kunihiro.

Research output: Contribution to journal › Article

*Nippon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A*, vol. 63, no. 607, pp. 595-602.

}

TY - JOUR

T1 - Equivalence between higher-order stress power and heat flux in energy equation based on lattice dynamics

AU - Yasui, Yoshihiro

AU - Shizawa, Kazuyuki

AU - Takahashi, Kunihiro

PY - 1997/3

Y1 - 1997/3

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0031099413&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031099413&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0031099413

VL - 63

SP - 595

EP - 602

JO - Nihon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A

JF - Nihon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A

SN - 0387-5008

IS - 607

ER -