Simulation of Tensile Deformation of Small Copper Single Crystals
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SIMULATION OF TENSILE DEFORMATION OF SMALL COPPER SINGLE CRYSTALS MASAO DOYAMA Department of Materials, The Nishi-Tokyo University Uenohara, Yamanashi 409-01 JAPAN
ABSTRACT The molecular dynamics method was used to simulate the plastic deformation of small copper single crystals. Dislocations were created near the tips of cracks. A very sharp yield stress was found. l .INTRODUCTION The plastic deformation of metals usually proceeds by the creation and motion of dislocations. It is quite important to know how atoms in a crystal move during plastic deformation. The creation and motion of edge dislocations in the (Il l) plane of copper crystals have been simulated by molecular dynamics[]]. In this paper the method of molecular dynamics has been used to simulate plastic deformation in small copper single crystals. Representing the interaction between atoms in metals, pairwise potentials are often used. However, in metals, the conduction electrons transfer from one atom to another atom and the interaction cannot be represented by a pairwise potential but many-body potentials. The interaction between the i-th atom and the j-th atom depends not only on the distance between them but also on the positions of other atoms. Copper was chosen as an example in this paper, because copper is one of the most common metals and has a closed packed face centered cubic lattice. 2. INTERACTION POTENTIAL The n-body embedded function proposed by Oh and Johnson [2, 3] was used in this paper. The total energy is given by [001] z z [101]
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Mat. Res. Soc. Symp. Proc. Vol. 291. 01993 Materials Research Society
544
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