### Abstract

In the previous report, a method is proposed to obtain the definitions for internal forces of continua, and then the balance equations for mass, force and moment are formulated using microscopic quantities. In the present paper, heat flux and internal energy are formulated and the energy equation is derived on the basis of lattice dynamics. In order to derive a definition of heat flux, a kinematical quantity of an atom is divided into macroscopic and thermal motion, and heat flux is defined using the thermal motion. Internal energy is defined as kinematical energy and potential energy of atoms in the mesodomain. These definitions of heat flux and internal energy are useful in obtaining macroscopic quantities from numerical solutions calculated by the molecular dynamics. The energy equation which includes heat flux and internal energy is expressed in terms of microscopic quantities.

Original language | English |
---|---|

Pages (from-to) | 2116-2121 |

Number of pages | 6 |

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

Volume | 62 |

Issue number | 601 |

Publication status | Published - 1996 Sep |

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*,

*62*(601), 2116-2121.

**Microscopic derivation for 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. 62, no. 601, pp. 2116-2121.

}

TY - JOUR

T1 - Microscopic derivation for energy equation based on lattice dynamics

AU - Yasui, Yoshihiro

AU - Shizawa, Kazuyuki

AU - Takahashi, Kunihiro

PY - 1996/9

Y1 - 1996/9

N2 - In the previous report, a method is proposed to obtain the definitions for internal forces of continua, and then the balance equations for mass, force and moment are formulated using microscopic quantities. In the present paper, heat flux and internal energy are formulated and the energy equation is derived on the basis of lattice dynamics. In order to derive a definition of heat flux, a kinematical quantity of an atom is divided into macroscopic and thermal motion, and heat flux is defined using the thermal motion. Internal energy is defined as kinematical energy and potential energy of atoms in the mesodomain. These definitions of heat flux and internal energy are useful in obtaining macroscopic quantities from numerical solutions calculated by the molecular dynamics. The energy equation which includes heat flux and internal energy is expressed in terms of microscopic quantities.

AB - In the previous report, a method is proposed to obtain the definitions for internal forces of continua, and then the balance equations for mass, force and moment are formulated using microscopic quantities. In the present paper, heat flux and internal energy are formulated and the energy equation is derived on the basis of lattice dynamics. In order to derive a definition of heat flux, a kinematical quantity of an atom is divided into macroscopic and thermal motion, and heat flux is defined using the thermal motion. Internal energy is defined as kinematical energy and potential energy of atoms in the mesodomain. These definitions of heat flux and internal energy are useful in obtaining macroscopic quantities from numerical solutions calculated by the molecular dynamics. The energy equation which includes heat flux and internal energy is expressed in terms of microscopic quantities.

UR - http://www.scopus.com/inward/record.url?scp=0030235719&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0030235719&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0030235719

VL - 62

SP - 2116

EP - 2121

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 - 601

ER -