金屬玻璃時常會因為剪切帶的出現使其遭遇難以回復的破壞。不同於金屬玻璃，在諸多原子模擬中已顯示奈米玻璃因為有晶界的存在，使其對於剪切變形的抵抗遠高於金屬玻璃。本研究藉由一動力蒙地卡羅介觀尺度模型，並引入可變動的特徵應變以探討奈米玻璃在晶粒尺寸效應的力學行為。這個模型除了能捕捉到剪切帶的形成過程，以及當奈米玻璃的晶粒尺寸從38 nm至6 nm，此模型的結果顯示出奈米玻璃變形呈現由非均質變形到均質變形的過渡轉變。由於晶界相對晶粒較軟，早期的塑性變形會優先出現在晶界；而隨著晶粒尺寸變小，晶界的體積占比提升，使早期出現在晶界的變形抑制了剪切帶的成長。除此之外，本研究結果顯示出現均質變形的臨界晶粒尺寸與先前的原子模擬結果一致，這顯示了奈米玻璃的模型設計在抵抗剪切變形是具有潛力的。而藉由此介觀尺度模型能夠在與實驗相近的時間與空間尺度上研究奈米玻璃變形。
除了奈米玻璃的晶粒尺寸效應，本研究將可變動的特徵應變延伸至金屬玻璃-奈米玻璃複合材料，並考慮晶粒尺寸效應對複合材料的影響。模擬結果顯示出複合材料的軟化行為會隨著奈米玻璃的體積占比減少而增強。此外，晶粒尺寸效應會隨著奈米玻璃的體積占比增加而變得更明顯。本研究針對奈米玻璃在複合材料中的單層與多層進行分析，除了奈米玻璃的體積占比會直接影響軟化行為之外，當金屬玻璃的空間不足以使剪切帶生長時，亦可以抑制軟化行為的發生。
另一方面，本研究探討了複合材料中以奈米玻璃作為第二相的角度效應，在相同的奈米玻璃體積占比下，探討奈米玻璃夾層與拉伸方向夾45°至65°的力學行為。研究結果展示當夾角為45°時，試體雖然擁有良好的塑性承載力，然而因為應力集中，因此有著最低的材料強度。隨著夾角遠離45°時，奈米玻璃對早期塑性變形逐漸失去控制力；這也表示應力集中的狀況降低，材料強度也隨夾角變大而升高。此外，當夾角不等於45°時，剪切變形會受到最大剪應力與奈米玻璃夾層的夾角競爭，使剪切帶傳播方向出現偏移。這些偏移發生的位置都位於金屬玻璃與奈米玻璃的邊界附近，而當奈米玻璃夾層的夾角為55°時會發生最嚴重的剪切帶偏移，模擬結果也表示夾角為55°的案例比45°的案例擁有更好的強度與塑性承載力。奈米玻璃夾層的夾角不只會影響材料強度，也會影響晶粒尺寸效應的強度，當夾角大於55°，晶粒尺寸效應會因為奈米玻璃夾層對塑性變形的控制力降低也呈現降低的趨勢。對於金屬玻璃-奈米玻璃複合材料的設計概念，這些角度效應提供了更廣泛的策略，藉由整合晶粒尺寸與幾何配置可以促進金屬玻璃-奈米玻璃複合材料之性能提升。

Shear bands caused by shear localization in metallic glasses (MGs) impose limitations on the mechanical performance. Nanoglass (NG), which consists of heterogeneous glassy structures created by introducing interfaces into MGs at the nanoscale, has emerged as a viable strategy to compete against significant shear localization, as revealed by numerous atomistic simulations. The grain size effect in NGs is studied by a novel mesoscale kinetic Monte Carlo (kMC) model introducing a variable characteristic strain (VCS). This model captures the complex evolution of shear bands in the process of deformation, illustrating a notable transition from inhomogeneous to homogeneous deformation as the grain size of NG reduces to around 10 nm. VCS can also capture the softening behavior of MG-NG composites with different volume fractions of NG. The results indicate that the grain size effect is enhanced as the volume fraction of NG increases. The inclination angle of the NG layers, which range from 45°to 65°, is studied in MG-NG composites with the same volume fraction of NG. The most significant offset shear band, which is considered to enhance the plasticity, is observed when the inclination angles of the NG layers are up to 55°.

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