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Korean Journal of Metals and Materials > Volume 55(11); 2017 > Article
Korean Journal of Metals and Materials 2017;55(11): 760-767. doi: https://doi.org/10.3365/KJMM.2017.55.11.760
Material Characterization of Single Crystalline Cu Subjected to High Strain Rates and High Temperatures for Multiscale Simulation
Yujin Seong1, Youngkyu Kim1, Im Doo Jung1, Sungho Kim2, See Jo Kim3, Seong-Gon Kim4, Hak Jun Kim5, Seong Jin Park1
1Department of Mechanical Engineering, Pohang University of Science and Technology, Pohang 37673, Republic of Korea
2Center for Computational Sciences, Mississippi State University, MS 39762, USA
3Department of Mechanical Design, Andong National University, Andong 36729, Republic of Korea
4Department of Physics and Astronomy, Mississippi State University, MS 39762, USA
5Agency for Defense Development, Daejeon 34186, Republic of Korea
Correspondence  Seong Jin Park ,Tel: +82-54-279-2182, Email: sjpark87@postech.ac.kr
Received: 16 June 2017;  Accepted: 29 June 2017.  Published online: 31 October 2017.
The material characterization of single crystalline Cu columns was numerically carried out at the submicroscopic level. A molecular dynamics (MD) simulation was employed using the embedded-atom method (EAM) interatomic potential between a pair of Cu atoms to describe the interactions among Cu atoms. First, the relationship between mechanical properties and factors affecting their behavior were numerically investigated using a crystal structure including several defects. The factors were specimen size, strain rate, and temperature. As the specimen size increased the normalized yield stress decreased, which was similar to results obtained at other length-scale. The yield stress tended to lead to exponential strain rate-hardening and a linear temperature-softening. Next, material characterization was conducted based on these results. These computational results can lead to the development of an in silico platform to characterize material properties and MD simulation can lay the groundwork for multi-scale modeling and simulation.
Keywords: molecular dynamics simulation, embedded-atom method, copper, material characterization, multiscale simulation
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