本論文利用分子動力學(Molecular Dynamics，MD)模擬銀/金/鈀/銅/鎳、銀/金/鐵/銅/鎳、銀/金/鈦/銅/鎳三種五元合金奈米線進行高溫熔煉後，快速冷卻之晶體型態，並針對五元合金奈米線進行拉伸試驗的模擬，探討五元合金奈米線的結晶度對變形機制、強度、延展性之影響。
模擬結果顯示，三種五元合金奈米線的冷卻速率越慢，結晶度越高。在相同冷卻速率下，如果組成元素的晶體結構不同則其結晶度相對較低，其以不同晶系者結晶度最低。將冷卻後的合金奈米線鬆弛平衡可使其結晶度有限度的提升。原子半徑差越大其結晶度越低。非晶材料主要在於其塑變機制不同於單晶材料是利用差排滑移，而非晶材料則是由自由體積的形成與消失造成其塑變發生原子位移，並形成規則排列的剪切帶造成應力降伏。
銀/金/鈀/銅/鎳冷卻速率為1×1013K/s的合金奈米線，主要是其產生奈米架橋現象，造成其延展性較佳。銀/金/鈀/銅/鎳為1×1012K/s的合金奈米線具有最高結晶度和降伏強度。

The study analyzes solidification behavior of silver – gold – palladium – copper – nickel, silver – gold – iron – copper – nickel, silver – gold – titanium – copper – nickel nanowires after melting at high temperature then rapid cooling. Additionally, mechanical properties and deformation behavior of alloy nanowires are also investigated with simple tension test after rapid cooling by using molecular dynamics simulation.
Results show that three types of nanowires cooled by lower cooling rate will exhibit higher level of crystallization. In the same cooling rate, the different crystal structure and crystal system of component Element has lower the crystallization. After using cooling alloy relaxation balance, it will show higher crystallization. Difference between atomic radii is larger, so the crystallization is lower. In amorphous material, mechanism of deformation is different from single crystal material. The single crystal material use dislocation by slipping. Amorphous material which occur atoms displacement is caused by forming and disappearing of the free volume, and becoming regular arrangement of shear band which lead to stress yielding. Because of Nano Bridge, the silver – gold – palladium – copper – nickel alloy nanowire in the cooling rate 1×1013K/s has the best ductility. the silver – gold – palladium – copper – nickel alloy nanowire in the cooling rate 1×1012K/s has the higest crystallization and yield strength.

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