分子動力学法による CuNi 合金の物性
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概要
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Phase transition in coppernickelmixture is observed by NTP molecular dynamics simulation. Themolecular interaction potential energy is GEAM function. The nickel is added 10% to the copper 100% sothat the total number of atoms in the basic cell is 108. The calculation is performed on the 11 kinds ofcompositions. The internal energy, the coordination number and the paircorrelationfunctions areobtained to see the phase transition.
- 2009-03-31
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