臺灣博碩士論文加值系統

本研究使用分子動力學(molecular dynamics, MD)模擬方法，模擬在奈米壓印試驗下，中熵合金NiCoCr的力-時間曲線、晶體演化、剪應變分布及差排分布等特性，探討不同壓印速度、模具設計、溫度及晶粒尺寸效應對機械特性所造成之影響。模擬結果顯示隨著壓印速度的增加，剪切帶擴展範圍逐漸擴大延伸，壓印力也隨之變大；而提高壓頭角度使壓頭與材料之接觸面積增加，影響剪切帶擴展及差排生成機制；隨著溫度的升高，堆疊層錯能(SFE)會隨之增加，剪切帶擴展範圍逐漸擴大，差排長度隨之減少。壓印力則會隨溫度升高而降低。另外在不同晶粒尺寸及單晶結構的模擬結果顯示，壓印力會受到晶界及晶粒尺寸所影響，並於單晶試片中觀察到最大值；剪切帶在單晶試片中呈現對稱形式，多晶則以晶界擴散為主；部份差排(PD)主要集中於小晶粒的晶界上，而在大晶粒試片中則會貫穿晶粒內部。

In this study, molecular dynamics (MD) simulation method was used to simulate the force-time curve, crystal evolution, shear strain and dislocation distribution of the NiCoCr medium-entropy alloys (MEAs) under nanoimprint test, including the effects of various imprinting velocities, indenter design, temperature and grain size on their mechanical properties. The simulation results show that as the imprinting velocity increases, the extension range of the shear band gradually expands, and the imprinting force also increases. The raising indenter angle increases the contact area between the indenter and the material, which affects the expansion of the shear band and the generation mechanism of the dislocations. As the temperature increases, the stacking fault energy (SFE) will increase, the extension range of the shear band gradually expands, and the dislocation length will decrease. It’s observed the imprinting force will decrease with increasing temperature. In addition, the simulation results of the various grain sizes and the single-crystal substrate display the imprinting force will be affected by the grain boundary and grain size, and the maximum value is observed of the single-crystal substrate, the shear bands present a symmetrical form in the single-crystal substrate and diffuse along the grain boundary with the polycrystalline substrate, partial dislocations (PD) are concentrated on the grain boundary of the small grains and penetrate the mold internal of the large grain.

摘要 i
Abstract ii
誌謝 iv
目錄 v
圖目錄 viii
表目錄 xi
符號說明 xii
第1章 緒論 1
1.1 前言 1
1.2 研究動機與目的 3
1.3 本文架構 4
第2章 文獻回顧 5
2.1 中熵與高熵合金文獻回顧 5
2.2 分子動力學研究文獻回顧 6
2.3 奈米壓印研究文獻回顧 7
第3章 研究方法 8
3.1 物理模型 8
3.2 奈米壓印模型 9
3.3 分子動力學之基本理論 10
3.4 系綜觀念 11
3.5 原子交互作用力與勢能函數 12
3.5.1 勢能函數 12
3.5.2 勢能參數設定 14
3.5.3 鍵結力與鍵結能 15
3.5.4 原子間鍵結 17
3.6 週期邊界條件設定 18
3.6.1 最小映像法則 18
3.7 速度預測法 20
3.7.1 Gear五階預測修正法 20
3.7.2 Verlet法 21
3.8 截斷半徑 23
3.8.1 Cell link表列法 24
3.8.2 Verlet表列法 25
3.8.3 Cell link結合Verlet表列法 25
3.9 徑向分布函數 27
3.10 原子級應力 29
3.11 分子動力學模擬流程 30
第4章 結果與討論 32
4.1 壓印過程分析 32
4.2 壓印速度效應分析 40
4.3 模具設計 50
4.4 溫度效應分析 57
4.5 晶粒尺寸效應分析 67
第5章 結論與建議 74
5.1 結論 74
5.2 建議與未來展望 76
參考文獻 77
附錄A 實驗方法與結果 91
簡歷 96

[1] J. W. Yeh, S. K. Chen, S. J. Lin, J. Y. Gan, T. S. Chin, T. T. Shun, C. H. Tsau, and S. Y. Chang. Nanostructured high‐entropy alloys with multiple principal elements: novel alloy design concepts and outcomes. Advanced Engineering Materials. 6 (2004) 299-303.
[2] M. Klimova, D. Shaysultanov, A. Semenyuk, S. Zherebtsov, G. Salishchev, and N. Stepanov. Effect of nitrogen on mechanical properties of CoCrFeMnNi high entropy alloy at room and cryogenic temperatures. Journal of Alloys and Compounds. 849 (2020) 156633.
[3] L. Qiao, Z. Lai, and J. Zhu. A promising new class of multi-component alloys with exceptional mechanical properties. Journal of Alloys and Compounds. 847 (2020) 155929.
[4] X. Gao, Z. Yu, W. Hu, Y. Lu, Z. Zhu, Y. Ji, Y. Lu, Z. Qin, and X. Lu. In situ strengthening of CrMnFeCoNi high-entropy alloy with Al realized by laser additive manufacturing. Journal of Alloys and Compounds. 847 (2020) 156563.
[5] K. Alagarsamy, A. Fortier, M. Komarasamy, N. Kumar, A. Mohammad, S. Banerjee, H. C. Han, and R. S. Mishra. Mechanical properties of high entropy alloy Al0.1CoCrFeNi for peripheral vascular stent application. Cardiovascular Engineering and Technology. 7 (2016) 448-454.
[6] Y. Duan, L. Song, Y. Cui, H. Pang, X. Zhang, and T. Wang. FeCoNiCuAl high entropy alloys microwave absorbing materials: Exploring the effects of different Cu contents and annealing temperatures on electromagnetic properties. Journal of Alloys and Compounds. 848 (2020) 156491.
[7] F. X. Zhang, Y. Tong, M. Kirkham, A. Huq, H. Bei, W. J. Weber, and Y. Zhang. Structural disorder, phase stability and compressibility of refractory body-centered cubic solid-solution alloys. Journal of Alloys and Compounds. 847 (2020) 155970.
[8] C. Chen, Y. Fan, H. Zhang, J. Hou, W. Zhang, P. Wei, W. Wang, J. Qin, R. Wei, T. Wang, and F. Li. A novel Fe-Co-Ni-Si high entropy alloy with high yield strength, saturated magnetization and Curie temperature. Materials Letters. 281 (2020) 128653.
[9] B. X. Cao, C. Wang, T. Yang, and C. T. Liu. Cocktail effects in understanding the stability and properties of face-centered-cubic high-entropy alloys at ambient and cryogenic temperatures. Scripta Materialia. 187 (2020) 250-255.
[10] T. Yang, Y. L. Zhao, Y. Tong, Z. B. Jiao, J. Wei, J. X. Cai, X. D. Han, D. Chen, A. Hu, J. J. Kai, K. Lu, Y. Liu, and C. T. Liu. Multicomponent intermetallic nanoparticles and superb mechanical behaviors of complex alloys. Science. 362 (2018) 933-937.
[11] X. H. Du, W. P. Li, H. T. Chang, T. Yang, G. S. Duan, B. L. Wu, J. C. Huang, F. R. Chen, C. T. Liu, W. S. Chuang, Y. Lu, M. L. Sui, and E. W. Huang. Dual heterogeneous structures lead to ultrahigh strength and uniform ductility in a Co-Cr-Ni medium-entropy alloy. Nature Communications. 11 (2020) 1-7.
[12] M. Schneider, E. P. George, T. J. Manescau, T. Záležák, J. Hunfeld, A. Dlouhý, G. Eggeler, and G. Laplanche. Analysis of strengthening due to grain boundaries and annealing twin boundaries in the CrCoNi medium-entropy alloy. International Journal of Plasticity. 124 (2020) 155-169.
[13] T. Zhang, D. Wang, J. Zhu, H. Xiao, C. T. Liu, and Y. Wang. Non-conventional transformation pathways and ultrafine lamellar structures in γ-TiAl alloys. Acta Materialia. 189 (2020) 25-34.
[14] J. Li, L. Li, C. Jiang, Q. Fang, F. Liu, Y. Liu, and P. K. Liaw. Probing deformation mechanisms of gradient nanostructured CrCoNi medium entropy alloy. Journal of Materials Science & Technology. 57 (2020) 85-91.
[15] B. Yin, S. Yoshida, N. Tsuji, and W. A. Curtin. Yield strength and misfit volumes of NiCoCr and implications for short-range-order. Nature Communications. 11 (2020) 1-7.
[16] I. A. Alhafez, C. J. Ruestes, S. Zhao, A. M. Minor and H. M. Urbassek. Dislocation structures below a nano-indent of the CoCrNi medium-entropy alloy. Materials Letters. 283 (2021) 128821.
[17] P. Shi, W. Ren, T. Zheng, Z. Ren, X. Hou, J. Peng, P. Hu, Y. Gao, Y. Zhong, and P. K. Liaw. Enhanced strength–ductility synergy in ultrafine-grained eutectic high-entropy alloys by inheriting microstructural lamellae. Nature Communications. 10 (2019) 1-8.
[18] R. Zhang, S. Zhao, J. Ding, Y. Chong, T. Jia, C. Ophus, M. Asta, R. O. Ritchie, and A. M. Minor. Short-range order and its impact on the CrCoNi medium-entropy alloy. Nature. 581 (2020) 283-287.
[19] F. Wang, G. H. Balbus, S. Xu, Y. Su, J. Shin, P. F. Rottmann, K. E. Knipling, J. C. Stinville, L. H. Mills, O. N. Senkov, I. J. Beyerlein, T. M. Pollock, and D. S. Gianola. Multiplicity of dislocation pathways in a refractory multiprincipal element alloy. Science. 370 (2020) 95-101.
[20] J. Cairney. A rival to superalloys at high temperatures. Science. 370 (2020) 37-38.
[21] C. E. Slone, J. Miao, E. P. George, and M. J. Mills. Achieving ultra-high strength and ductility in equiatomic CrCoNi with partially recrystallized microstructures. Acta Materialia. 165 (2019) 496-507.
[22] W. M. Choi, Y. H. Jo, S. S. Sohn, S. Lee, and B. J. Lee. Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study. npj Computational Materials. 4 (2018) 1-9.
[23] G. Calafiore, A. Koshelev, T. P. Darlington, N. J. Borys, M. Melli, A. Polyakov, G. Cantarella, F. I. Allen, P. Lum, E. Wong, S. Sassolini, A. Weber-Bargioni, P. J. Schuck, S. Cabrini, and K. Munechika. Campanile near-field probes fabricated by nanoimprint lithography on the facet of an optical fiber. Scientific Reports. 7 (2017) 1-7.
[24] A. Jacobo-Martín, M. Rueda, J. J. Hernández, I. Navarro-Baena, M. A. Monclús, J. M. Molina-Aldareguia, and I. Rodríguez. Bioinspired antireflective flexible films with optimized mechanical resistance fabricated by roll to roll thermal nanoimprint. Scientific Reports. 11 (2021) 1-15.
[25] S. V. Sreenivasan. Nanoimprint lithography steppers for volume fabrication of leading-edge semiconductor integrated circuits. Microsystems & Nanoengineering. 3 (2017) 1-19.
[26] K. H. Lin, S. Y. Chang, Y. C. Lo, C. C. Wang, S. J. Lin, and J. W. Yeh. Differences in texture evolution from low-entropy to high-entropy face-centered cubic alloys during tension test. Intermetallics. 118 (2020) 106635.
[27] E. W. Huang, D. Yu, J. W. Yeh, C. Lee, K. An, and S. Y. Tu. A study of lattice elasticity from low entropy metals to medium and high entropy alloys. Scripta Materialia. 101 (2015) 32-35.
[28] Y. T. Chen, Y. J. Chang, H. Murakami, T. Sasaki, K. Hono, C. W. Li, K. Kakehi, J. W. Yeh, and A. C. Yeh. Hierarchical microstructure strengthening in a single crystal high entropy superalloy. Scientific Reports. 10 (2020) 1-11.
[29] C. C. Yen, G. R. Huang, Y. C. Tan, H. W. Yeh, D. J. Luo, K. T. Hsieh, E. W. Huang, J. W. Yeh, S. J. Lin, C. C. Wang, C. L. Kuo, S. Y. Chang, and Y. C. Lo. Lattice distortion effect on elastic anisotropy of high entropy alloys. Journal of Alloys and Compounds. 818 (2020) 152876.
[30] R. Carroll, C. Lee, C. W. Tsai, J. W. Yeh, J. Antonaglia, B. A. Brinkman, M. LeBlanc, X. Xie, S. Chen, P. K. Liaw, and K. A. Dahmen. Experiments and model for serration statistics in low-entropy, medium-entropy and high-entropy alloys. Scientific Reports. 5 (2015) 16997.
[31] G. Laplanche, M. Schneider, F. Scholz, J. Frenzel, G. Eggeler, and J. Schreuer. Processing of a single-crystalline CrCoNi medium-entropy alloy and evolution of its thermal expansion and elastic stiffness coefficients with temperature. Scripta Materialia. 177 (2020) 44-48.
[32] J. M. Sanchez, I. Vicario, J. Albizuri, T. Guraya, and E. M. Acuña. Design, Microstructure and Mechanical Properties of Cast Medium Entropy Aluminium Alloys. Scientific Reports. 9 (2019) 1-12.
[33] S. Yoshida, T. Ikeuchi, T. Bhattacharjee, Y. Bai, A. Shibata, and N. Tsuji. Effect of elemental combination on friction stress and Hall-Petch relationship in face-centered cubic high/medium entropy alloys. Acta Materialia. 171 (2019) 201-215.
[34] Q. J. Li, H. Sheng, and E. Ma. Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways. Nature Communications. 10 (2019) 1-11.
[35] Y. H. Jo, W. M. Choi, D. G. Kim, A. Zargaran, S. S. Sohn, H. S. Kim, B. J. Lee, N. J. Kim, and S. Lee. FCC to BCC transformation-induced plasticity based on thermodynamic phase stability in novel V10Cr10Fe45CoxNi35−x medium-entropy alloys. Scientific Reports. 9 (2019) 1-14.
[36] H. Luo, S. S. Sohn, W. Lu, L. Li, X. Li, C. K. Soundararajan, W. Krieger, Z. Li, and D. Raabe. A strong and ductile medium-entropy alloy resists hydrogen embrittlement and corrosion. Nature Communications. 11 (2020) 1-8.
[37] W. Woo, J. S. Jeong, D. K. Kim, C. M. Lee, S. H. Choi, J. Y. Suh, S. Y. Lee, S. Harjo, and T. Kawasaki. Stacking Fault Energy Analyses of Additively Manufactured Stainless Steel 316L and CrCoNi Medium Entropy Alloy Using In Situ Neutron Diffraction. Scientific Reports. 10 (2020) 1-15.
[38] M. Yang, L. Zhou, C. Wang, P. Jiang, F. Yuan, E. Ma, and X. Wu. High impact toughness of CrCoNi medium-entropy alloy at liquid-helium temperature. Scripta Materialia. 172 (2019) 66-71.
[39] C. L. Tracy, S. Park, D. R. Rittman, S. J. Zinkle, H. Bei, M. Lang, R. C. Ewing, and W. L. Mao. High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi. Nature Communications. 8 (2017) 1-6.
[40] S. Huang, H. Huang, W. Li, D. Kim, S. Lu, X. Li, E. Holmstrom, S. K. Kwon, and L. Vitos. Twinning in metastable high-entropy alloys. Nature Communications. 9 (2018) 1-7.
[41] Y. T. Chen, Y. J. Chang, H. Murakami, T. Sasaki, K. Hono, C. W. Li, K. Kakehi, J. W. Yeh, and A. C. Yeh. Hierarchical microstructure strengthening in a single crystal high entropy superalloy. Scientific Reports. 10 (2020) 1-11.
[42] E. Ma, and X. Wu. Tailoring heterogeneities in high-entropy alloys to promote strength–ductility synergy. Nature Communications. 10 (2019) 1-10.
[43] Z. Zhou, Y. Zhou, Q. He, Z. Ding, F. Li, and Y. Yang. Machine learning guided appraisal and exploration of phase design for high entropy alloys. npj Computational Materials. 5 (2019) 1-9.
[44] N. T. C. Nguyen, P. Asghari-Rad, J. W. Bae, P. Sathiyamoorthi, and H. S. Kim. Superplastic Behavior in High-Pressure Torsion-Processed Mo7.5Fe55Co18Cr12.5Ni7 Medium-Entropy Alloy. Metallurgical and Materials Transactions A. 52 (2021) 1-7.
[45] T. Csanádi, E. Castle, M. J. Reece, and J. Dusza. Strength enhancement and slip behaviour of high-entropy carbide grains during micro-compression. Scientific Reports. 9 (2019) 1-14.
[46] R. R. Eleti, M. Klimova, M. Tikhonovsky, N. Stepanov, and S. Zherebtsov. Exceptionally high strain-hardening and ductility due to transformation induced plasticity effect in Ti-rich high-entropy alloys. Scientific Reports. 10 (2020) 1-8.
[47] L. Zhang, and Q. N. Fan. Effect of quenching temperature and size on atom movement and local structural change for small copper clusters containing 51–54 atoms during quenching processes. Indian Journal of Physics. 90 (2016) 9-20.
[48] D. Q. Doan, T. H. Fang, and T. H. Chen. Influences of grain size and temperature on tribological characteristics of CuAlNi alloys under nanoindentation and nanoscratch. International Journal of Mechanical Sciences. 185 (2020) 105865.
[49] S. Li, J. C. Zhang, and Z. D. Sha. Mechanical behavior of metallic glasses with pressure-promoted thermal rejuvenation. Journal of Alloys and Compounds. 848 (2020) 156597.
[50] Y. Li, B. Yang, Z. Yu, S. Wang, and Q. Wang. A study on effects of stone–thrower–wales defective carbon nanotubes on glass transition temperature of polymer composites using molecular dynamics simulations. Computational Materials Science. 186 (2021) 110005.
[51] Z. Shi, Z. Jin, X. Guo, X. Shi, and J. Guo. Interfacial friction properties in diamond polishing process and its molecular dynamic analysis. Diamond and Related Materials. 100 (2019) 107546.
[52] H. Dai, F. Zhang, and Y. Zhou. Numerical study of three-body diamond abrasive polishing single crystal Si under graphene lubrication by molecular dynamics simulation. Computational Materials Science. 171 (2020) 109214.
[53] H. Dai, Y. Zhou, P. Li, and Y. Zhang. Evolution of nano-cracks in single-crystal silicon during ultraprecision mechanical polishing. Journal of Manufacturing Processes. 58 (2020) 627-636.
[54] G. Wang, Z. Feng, Q. Zheng, B. Li, and H. Zhou. Molecular dynamics simulation of nano-polishing of single crystal silicon on non-continuous surface. Materials Science in Semiconductor Processing. 118 (2020) 105168.
[55] T. D. Jacobs, K. E. Ryan, P. L. Keating, D. S. Grierson, J. A. Lefever, K. T. Turner, J. A. Harrison, and R. W. Carpick. The effect of atomic-scale roughness on the adhesion of nanoscale asperities: a combined simulation and experimental investigation. Tribology Letters. 50 (2013) 81-93.
[56] K. Liang, X. Zhang, J. Qiao, S. Pan, and S. Feng. Effects of minor addition of Al and Ag elements on the atomic structure and mechanical property of ZrCu-based metallic glasses. Journal of Non-Crystalline Solids. 550 (2020) 120385.
[57] A. Gaikwad, J. Odujole, and S. Desai. Atomistic investigation of process parameter variations on material deformation behavior in nanoimprint lithography of gold. Precision Engineering. 64 (2020) 7-19.
[58] D. Q. Doan, T. H. Fang, A. S. Tran, and T. H. Chen. Residual stress and elastic recovery of imprinted Cu-Zr metallic glass films using molecular dynamic simulation. Computational Materials Science. 170 (2019) 109162.
[59] C. Lu, T. N. Yang, K. Jin, G. Velisa, P. Xiu, Q. Peng, F. Gao, Y. Zhang, H. Bei, W. J. Weber, and L. Wang. Irradiation effects of medium-entropy alloy NiCoCr with and without pre-indentation. Journal of Nuclear Materials. 524 (2019) 60-66.
[60] Y. P. Wang, J. G. Xu, H. Y. Song, J. X. Sun, and Y. X. Zhou. Effect of surface crack on nanoimprint process of Al thin film. Physica B: Condensed Matter. 434 (2014) 194-199.
[61] C. D. Wu, T. H. Fang, P. H. Sung, and Q. C. Hsu. Critical size, recovery, and mechanical property of nanoimprinted Ni–Al alloys investigation using molecular dynamics simulation. Computational Materials Science. 53 (2012) 321-328.
[62] K. Tada, S. Horimoto, Y. Kimoto, M. Yasuda, H. Kawata, and Y. Hirai. Molecular dynamics study on compressive strength of monocrystalline, nanocrystalline and amorphous Si mold for nanoimprint lithography. Microelectronic Engineering. 87 (2010) 1816-1820.
[63] T. H. Fang, C. D. Wu, W. J. Chang, and S. S. Chi. Effect of thermal annealing on nanoimprinted Cu–Ni alloys using molecular dynamics simulation. Applied Surface Science. 255 (2009) 6043-6047.
[64] J. G. Kirkwood. The statistical mechanical theory of irreversible processes in solutions of flexible macromolecules. Visco‐elastic behavior. Recueil des Travaux Chimiques des Pays‐Bas. 68 (1949) 649-660.
[65] J. H. Irving, and J. G. Kirkwood. The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics. The Journal of Chemical Physics. 18 (1950) 817-829.
[66] 洪崇瑋,二維石墨炔機械與熱傳導特性之研究, 國立高雄科技大學碩士論文, (2019)。
[67] J. Tersoff. New empirical approach for the structure and energy of covalent systems. Physical Review B. 37 (1988) 6991.
[68] S. J. Stuart, A. B. Tutein, and J. A. Harrison. A reactive potential for hydrocarbons with intermolecular interactions. The Journal of Chemical Physics. 112 (2000) 6472-6486.
[69] D. W. Brenner. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. Physical Review B. 42 (1990) 9458.
[70] J. M. Haile, I. Johnston, A. J. Mallinckrodt, and S. McKay. Molecular dynamics simulation: elementary methods. Computers in Physics. 7 (1993) 625.
[71] D. Frenkel, B. Smit, J. Tobochnik, S. R. McKay, and W. Christian. Understanding molecular simulation. Computers in Physics. 11 (1997) 351-354.
[72] C. W. Gear. Numerical initial value problems in ordinary differential equations. Prentice-Hall series in automatic computation. Englewood Cliffs, NJ. (1971).
[73] D. Fincham, and D. M. Heyes. Integration algorithms in molecular dynamics. CCP5 Quarterly. 6 (1982) 4-10.
[74] 蘇祉愷,分子動力學模擬非晶態鎳鋁合金之壓印與切削加工特性,國立高雄應用科技大學碩士論文,(2015)。
[75] M. P. Allen, and D. J. Tildesley. Computer simulation of liquids. Oxford university press. (2017).
[76] C. Qiu, P. Zhu, F. Fang, D. Yuan, and X. Shen. Study of nanoindentation behavior of amorphous alloy using molecular dynamics. Applied Surface Science. 305 (2014) 101-110.
[77] L. Xie, P. Brault, A. L. Thomann, and J. M. Bauchire. AlCoCrCuFeNi high entropy alloy cluster growth and annealing on silicon: A classical molecular dynamics simulation study. Applied Surface Science. 285 (2013) 810-816.
[78] S. Huang, W. Li, S. Lu, F. Tian, J. Shen, E. Holmström, and L. Vitos. Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy. Scripta Materialia. 108 (2015) 44-47.
[79] P. H. Sung, and T. C. Chen. Material properties of Zr–Cu–Ni–Al thin films as diffusion barrier layer. Crystals. 10 (2020) 540.
[80] C. H. Wang, K. C. Chao, T. H. Fang, I. Stachiv, and S. F. Hsieh. Investigations of the mechanical properties of nanoimprinted amorphous Ni–Zr alloys utilizing the molecular dynamics simulation. Journal of Alloys and Compounds. 659 (2016) 224-231.
[81] F. Li, X. J. Liu, and Z. P. Lu. Atomic structural evolution during glass formation of a Cu–Zr binary metallic glass. Computational Materials Science. 85 (2014) 147-153.
[82] C. Qiu, P. Zhu, F. Fang, D. Yuan, and X. Shen. Study of nanoindentation behavior of amorphous alloy using molecular dynamics. Applied Surface Science. 305 (2014) 101-110.
[83] B. Zhang, and W. J. Meng. Effects of punch geometry and grain size in micron scale compression molding of copper. Materials & Design. 206 (2021) 109807.
[84] M. Papanikolaou, and K. Salonitis. Grain size effects on nanocutting behaviour modelling based on molecular dynamics simulations. Applied Surface Science. 540 (2021) 148291.
[85] D. Q. Doan, T. H. Fang, and T. H. Chen. Machining mechanism and deformation behavior of high-entropy alloy under elliptical vibration cutting. Intermetallics. 131 (2021) 107079.
[86] S. Goel, N. H. Faisal, X. Luo, J. Yan, and A. Agrawal. Nanoindentation of polysilicon and single crystal silicon: Molecular dynamics simulation and experimental validation. Journal of Physics D: Applied Physics. 47 (2014) 275304.
[87] Q. C. Hsu, C. D. Wu, and T. H. Fang. Deformation mechanism and punch taper effects on nanoimprint process by molecular dynamics. Japanese Journal of Applied Physics. 43 (2004) 7665.
[88] C. D. Wu, T. H. Fang, and J. F. Lin. Effects of mold geometry and taper angles on the filling mechanism of a nanoimprinted polymer using molecular dynamics. Applied Surface Science. 316 (2014) 292-300.
[89] C. D. Wu, T. H. Fang, and C. Y. Chan. A molecular dynamics simulation of the mechanical characteristics of a C60-filled carbon nanotube under nanoindentation using various carbon nanotube tips. Carbon. 49 (2011) 2053-2061.
[90] C. H. Wang, K. C. Chao, T. H. Fang, I. Stachiv, and S. F. Hsieh. Investigations of the mechanical properties of nanoimprinted amorphous Ni–Zr alloys utilizing the molecular dynamics simulation. Journal of Alloys and Compounds. 659 (2016) 224-231.
[91] S. Mishra, M. Meraj, and S. Pal. Atomistic simulation study of influence of Al2O3–Al interface on dislocation interaction and prismatic loop formation during nano-indentation on Al2O3-coated aluminum. Journal of Molecular Modeling. 24 (2018) 1-13.
[92] J. Shi, Y. Wang, and X. Yang. Nano-scale machining of polycrystalline coppers-effects of grain size and machining parameters. Nanoscale Research Letters. 8 (2013) 1-18.
[93] B. Uzer, S. Picak, J. Liu, T. Jozaghi, D. Canadinc, I. Karaman, Y. I. Chumlyakov, and I. Kireeva. On the mechanical response and microstructure evolution of NiCoCr single crystalline medium entropy alloys. Materials Research Letters. 6 (2018) 442-449.
[94] J. Miao, C. E. Slone, T. M. Smith, C. Niu, H. Bei, M. Ghazisaeidi, G. M. Pharr, and M. J. Mills. The evolution of the deformation substructure in a Ni-Co-Cr equiatomic solid solution alloy. Acta Materialia. 132 (2017) 35-48.
[95] C. Lu, T. N. Yang, K. Jin, G. Velisa, P. Xiu, Q. Peng, F. Gao, Y. Zhang, H. Bei, W. J. Weber, and L. Wang. Irradiation effects of medium-entropy alloy NiCoCr with and without pre-indentation. Journal of Nuclear Materials. 524 (2019) 60-66.
[96] W. Sha, X. Wu, and K. G. Keong. Molecular dynamics (MD) simulation of the diamond pyramid structure in electroless copper deposits. Electroless Copper and Nickel-Phosphorus Plating: Processing, Characterisation and Modelling. Cambridge, United Kingdom. (2011).
[97] 黃家煒,奈米層狀石墨烯/銅複合材料之機械特性研究,國立高雄科技大學碩士論文,(2020)。