Molecular Dynamic Research of the Energy dissipation during Plastic Deformation


Authors:Xiang LI

Affiliation:Graduate School of Engineering, Osaka University

Abstract:To provide a precise prediction of Taylor-Quinney coefficient (TQC), which is the friction of the conversion of external deformation work to heat during plastic deformation, molecular dynamic simulations of plastic deformation were performed. We constructed single-crystal atomic models of pure metals (Fe, Al, Ni, Cu, Ag, Mg) with various crystal structures (BCC, FCC, HCP), on which simple shear strain was applied at a constant, extremely high shear strain rate. A new numerical model of the calculation of TQC using the energy stored in crystal defects during the deformation was suggested and was used to calculate the TQCs during the simulation. The correlation of TQC with stacking fault energy (SFE) was also discussed. As a result, the curves and predicted values of TQC were obtained in agreement with existing numerical models and experimental data. TQC also showed a dependence on crystal orientation and SFE.


Publication related to your research
(Journal paper)

  • Xiang Li, Ryo Matsumoto and Hiroshi Utsunomiya, “Molecular Dynamic Study on Conversion of Plastic Work of Materials into Heat”, the 17th Asia-Pacific Conference on Fracture and Strength and the 13th Conference on Structural Integrity and Failure, Adelaide, South Australia, Australia, Dec. 2022.


(Domestic conference/workshop)

  • Xiang Li, Ryo Matsumoto, Hiroshi Utsunomiya and Shigenobu Ogata, “Molecular Dynamic Study on Temperature Rise of FCC Metals by Plastic Deformation”, the Japan Institute of Metals and Materials Spring Meeting 2023, Tokyo, Japan, Mar. 2023.


Posted : March 01,2023