本論文使用分子動力學模擬鐵/鎢合金塊材，改變刀具之刀斜角(Rake Angle)，探討切削時材料塑變行為與切削力之變化，並利用不同切削速度探討切削後之溝槽表面粗糙度。將二元合金熔煉後，利用不同冷卻速率獲得合金塊材，探討結晶度及切削後剪切面上之剪切角(Shear Angle)之變化、切削力與溝槽表面粗糙度的變動情形。原子間的作用力採用嵌入式原子(Embedded Atom Method)勢能、Tight-binding勢能與Morse勢能函數模型。
模擬的結果顯示，使用正斜角之刀具進行切削較易排屑，因此溝槽表面粗糙度及表面形貌較為良好；負斜角之刀具切削時較不易排屑，使溝槽表面粗糙度及表面形貌較差，且所需之切削力較大。冷卻速率越慢凝固後材料的結晶度較高；相反的，冷卻速率越快的結晶度較低。隨著材料結晶度的提升，切削力及剪切角也會隨著增加，且溝槽表面粗糙度也較差，但可得到較佳的溝槽形貌。

The research studies the nanometric cutting of Fe70W30 alloy bulk with the diamond tool by molecular dynamics. Using different rake angle of diamond tool as a parameter conditions to investigate the plastic deformation and the change of cutting force when the material is cutting. And using the different cutting speed to investigate the surface roughness of grooving. Using different cooling rates of alloy bulk to investigate the degree of crystallinity, cutting force, surface roughness of grooving and the shear angle on the shear plane after cutting. The interactions between atoms in the workpiece are described by in embedded-atom method (EAM) and Tight-binding (TB) and Morse potential.
The simulation results shows that using the positive rake angel of tool is better to remove chip lead to the well surface roughness and shape of grooving, but using the negative rake angel of tool is difficult to remove chip lead to worse surface roughness and shape of grooving and need more cutting force. When decreasing of the cooling rate after solidification within the bulk higher crystallinity. Contrary, increasing of the cooling rate after solidification within the bulk lower crystallinity. With the increase of the degree of crystallinity, cutting force and the shear angle will increase, and lead to worse surface roughness of grooving but getting better shape of grooving.

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