第 5 章、 結論與展望
5.2 未來展望
本研究探討原子尺度之高熵合金,計算機械性質並解釋變形機制,模擬結果 之變形機制與文獻符合,但在有關高熵合金之原子尺度模擬研究仍有尚待突破、發 展之處。本研究之建議條列如下:
1.本研究分析高熵合金原子模型差排的方式為自動化判斷,未來研究針對分析高熵 合金原子模型之 SF 的方式,建議發展自動化判斷或半自動化判斷。
2.本研究分析之高熵合金材料為以鈷、鉻、鐵、錳、鎳組成的 Cantor Alloy 系統,
改變 Cantor Alloy 系統中鈷、鉻、鐵、錳、鎳的比例 0% ~ 30%,未來研究材料建 議可往以鈷、鉻、鐵、錳、鎳為主的高熵輕量鋼發展,亦可持續分析改變 Cantor Alloy 系統中鈷、鉻、鐵、錳、鎳的比例 30% ~ 100%之高熵合金原子模型。
REFERENCE
Baker, H. & H. Okamoto (1992) ASM metals handbook. Volume, 2, 624-631.
Baskes, M. (1992) Modified embedded-atom potentials for cubic materials and impurities.
Physical Review B, 46, 2727.
--- (1997) Determination of modified embedded atom method parameters for nickel.
Materials Chemistry and Physics, 50, 152-158.
Bhattacharjee, P., G. Sathiaraj, M. Zaid, J. Gatti, C. Lee, C.-W. Tsai & J.-W. Yeh (2014) Microstructure and texture evolution during annealing of equiatomic CoCrFeMnNi high-entropy alloy. Journal of Alloys and Compounds, 587, 544-552.
Callister Jr, W. D. & D. G. Rethwisch. 2012. Fundamentals of materials science and engineering: an integrated approach. John Wiley & Sons.
Cantor, B., I. Chang, P. Knight & A. Vincent (2004) Microstructural development in equiatomic multicomponent alloys. Materials Science and Engineering: A, 375, 213-218.
Chen, M., Y. Liu, Y. Li & X. Chen (2007) Microstructure and mechanical properties of AlTiFeNiCuCr high-entropy alloy with multi-principal elements. ACTA METALLURGICA SINICA-CHINESE EDITION-, 43, 1020.
Cheng, K.-H., C.-H. Lai, S.-J. Lin & J.-W. Yeh. 2006. Recent progress in multi-element alloy and nitride coatings sputtered from high-entropy alloy targets. In Annales de chimie, 723-736. Lavoisier.
Choi, W.-M., Y. H. Jo, S. S. Sohn, S. Lee & B.-J. Lee (2018) Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study.
npj Computational Materials, 4, 1.
Choi, W.-M., Y. Kim, D. Seol & B.-J. Lee (2017) Modified embedded-atom method interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems. Computational Materials Science, 130, 121-129.
Christian, J. W. & S. Mahajan (1995) Deformation twinning. Progress in materials science, 39, 1-157.
De Boer, F., R. Boom, W. Mattens, A. Miedema, A. Niessen & D. Pettifor. 1988a.
Cohesion and structure.
De Boer, F. R., W. Mattens, R. Boom, A. Miedema & A. Niessen (1988b) Cohesion in metals.
Deng, Y., C. C. Tasan, K. G. Pradeep, H. Springer, A. Kostka & D. Raabe (2015) Design of a twinning-induced plasticity high entropy alloy. Acta Materialia, 94, 124-133.
Dieter, G. E. & D. J. Bacon. 1986. Mechanical metallurgy. McGraw-hill New York.
Dong, W.-P., H.-K. Kim, W.-S. Ko, B.-M. Lee & B.-J. Lee (2012) Atomistic modeling of pure Co and Co–Al system. Calphad, 38, 7-16.
Faken, D. & H. Jónsson (1994) Systematic analysis of local atomic structure combined with 3D computer graphics. Computational Materials Science, 2, 279-286.
Frenkel, D. & B. Smit. 2001. Understanding molecular simulation: from algorithms to applications. Elsevier.
Gludovatz, B., A. Hohenwarter, D. Catoor, E. H. Chang, E. P. George & R. O. Ritchie (2014) A fracture-resistant high-entropy alloy for cryogenic applications. Science, 345, 1153-1158.
Greer, A. L. (1993) Confusion by design. Nature, 366, 303.
Honeycutt, J. D. & H. C. Andersen (1987) Molecular dynamics study of melting and
freezing of small Lennard-Jones clusters. Journal of Physical Chemistry, 91, 4950-4963.
Huang, K.-H. & J. Yeh (1996) A study on the multicomponent alloy systems containing equal-mole elements. Hsinchu: National Tsing Hua University.
Hull, D. & D. J. Bacon. 2001. Introduction to dislocations. Butterworth-Heinemann.
Idrissi, H., K. Renard, L. Ryelandt, D. Schryvers & P. Jacques (2010a) On the mechanism of twin formation in Fe–Mn–C TWIP steels. Acta Materialia, 58, 2464-2476.
Idrissi, H., K. Renard, D. Schryvers & P. Jacques (2010b) On the relationship between the twin internal structure and the work-hardening rate of TWIP steels. Scripta Materialia, 63, 961-964.
Idrissi, H., L. Ryelandt, M. Veron, D. Schryvers & P. Jacques (2009) Is there a relationship between the stacking fault character and the activated mode of plasticity of Fe–
Mn-based austenitic steels. Scripta Materialia, 60, 941-944.
Inoue, A. (2000) Stabilization of metallic supercooled liquid and bulk amorphous alloys.
Acta materialia, 48, 279-306.
Jinhong, P., P. Ye, Z. Hui & Z. Lu (2012) Microstructure and properties of AlCrFeCuNix high-entropy alloys. Materials Science and Engineering: A, 534, 228-233.
Jo, Y., S. Jung, W. Choi, S. Sohn, H. Kim, B. Lee, N. Kim & S. Lee (2017) Cryogenic strength improvement by utilizing room-temperature deformation twinning in a partially recrystallized VCrMnFeCoNi high-entropy alloy. Nature Communications, 8, 15719.
Kim, H.-K., W.-S. Jung & B.-J. Lee (2009) Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems. Acta Materialia, 57, 3140-3147.
Kim, Y.-K., W.-S. Jung & B.-J. Lee (2015) Modified embedded-atom method interatomic potentials for the Ni–Co binary and the Ni–Al–Co ternary systems. Modelling and Simulation in Materials Science and Engineering, 23, 055004.
Kim, Y.-M., Y.-H. Shin & B.-J. Lee (2009) Modified embedded-atom method interatomic potentials for pure Mn and the Fe–Mn system. Acta Materialia, 57, 474-482.
Laplanche, G., A. Kostka, O. Horst, G. Eggeler & E. George (2016) Microstructure evolution and critical stress for twinning in the CrMnFeCoNi high-entropy alloy.
Acta Materialia, 118, 152-163.
Lee, B.-J. & M. Baskes (2000) Second nearest-neighbor modified embedded-atom-method potential. Physical Review B, 62, 8564.
Lee, B.-J., M. Baskes, H. Kim & Y. K. Cho (2001a) Second nearest-neighbor modified embedded atom method potentials for bcc transition metals. Physical Review B, 64, 184102.
Lee, B.-J., W.-S. Ko, H.-K. Kim & E.-H. Kim (2010) The modified embedded-atom method interatomic potentials and recent progress in atomistic simulations.
Calphad, 34, 510-522.
Lee, B.-J., J.-H. Shim & M. Baskes (2003) Semiempirical atomic potentials for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb based on first and second nearest-neighbor modified embedded atom method. Physical Review B, 68, 144112.
Lee, B.-J., J.-H. Shim & H. M. Park (2001b) A semi-empirical atomic potential for the Fe-Cr binary system. Calphad, 25, 527-534.
Li, J., Q. Fang, B. Liu, Y. Liu & Y. Liu (2016a) Mechanical behaviors of AlCrFeCuNi high-entropy alloys under uniaxial tension via molecular dynamics simulation.
RSC Advances, 6, 76409-76419.
Li, Z., F. Kormann, B. Grabowski, J. Neugebauer & D. Raabe (2017a) Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced
plasticity. Acta Materialia, 136, 262-270.
Li, Z., K. G. Pradeep, Y. Deng, D. Raabe & C. C. Tasan (2016b) Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off. Nature, 534, 227.
Li, Z. & D. Raabe (2017) Strong and ductile non-equiatomic high-entropy alloys: design, processing, microstructure, and mechanical properties. JOM, 69, 2099-2106.
Li, Z., C. C. Tasan, K. G. Pradeep & D. Raabe (2017b) A TRIP-assisted dual-phase high-entropy alloy: grain size and phase fraction effects on deformation behavior. Acta Materialia, 131, 323-335.
Liang, X.-B., M. Wei, J.-B. Cheng, W. Zhang & B.-S. Xu (2009) Reaserch Progress in advanced materials of high-entropy alloys Journal of Materials Engineering, 12, 75-79.
Liu, Y., Y. Li, X. Chen & M. Chen (2006) High-entropy alloy with multi-principal elements state of the art. Materials Review, 4, 4-6.
Ma, S., Z. Jiao, J. Qiao, H. Yang, Y. Zhang & Z. Wang (2016) Strain rate effects on the dynamic mechanical properties of the AlCrCuFeNi2 high-entropy alloy.
Materials Science and Engineering: A, 649, 35-38.
Ma, S., J. Qiao, Z. Wang, H. Yang & Y. Zhang (2015) Microstructural features and tensile behaviors of the Al0. 5CrCuFeNi2 high-entropy alloys by cold rolling and subsequent annealing. Materials & Design, 88, 1057-1062.
Mahajan, S., C. Pande, M. Imam & B. Rath (1997) Formation of annealing twins in fcc crystals. Acta materialia, 45, 2633-2638.
Otto, F., A. Dlouhy, C. Somsen, H. Bei, G. Eggeler & E. P. George (2013) The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy. Acta Materialia, 61, 5743-5755.
Pradeep, K. G., C. C. Tasan, M. Yao, Y. Deng, H. Springer & D. Raabe (2015) Non-equiatomic high entropy alloys: approach towards rapid alloy screening and property-oriented design. Materials Science and Engineering: A, 648, 183-192.
Rose, J. H., J. R. Smith, F. Guinea & J. Ferrante (1984) Universal features of the equation of state of metals. Physical Review B, 29, 2963.
Sadigh, B., P. Erhart, A. Stukowski, A. Caro, E. Martinez & L. Zepeda-Ruiz (2012) Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys. Physical Review B, 85, 184203.
Sanford, R. J. & R. Sanford. 2003. Principles of fracture mechanics. Prentice Hall Upper Saddle River, NJ.
Schuh, B., F. Mendez-Martin, B. Völker, E. P. George, H. Clemens, R. Pippan & A.
Hohenwarter (2015) Mechanical properties, microstructure and thermal stability of a nanocrystalline CoCrFeMnNi high-entropy alloy after severe plastic deformation. Acta Materialia, 96, 258-268.
Stepanov, N., D. Shaysultanov, G. Salishchev, M. Tikhonovsky, E. Oleynik, A. Tortika &
O. Senkov (2015) Effect of V content on microstructure and mechanical properties of the CoCrFeMnNiVx high entropy alloys. Journal of Alloys and Compounds, 628, 170-185.
Stukowski, A. & K. Albe (2010) Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Modelling and Simulation in Materials Science and Engineering, 18, 085001.
Stukowski, A., V. V. Bulatov & A. Arsenlis (2012) Automated identification and indexing of dislocations in crystal interfaces. Modelling and Simulation in Materials Science and Engineering, 20, 085007.
Tong, C.-J., Y.-L. Chen, J.-W. Yeh, S.-J. Lin, S.-K. Chen, T.-T. Shun, C.-H. Tsau & S.-Y.
Chang (2005) Microstructure characterization of AlxCoCrCuFeNi high-entropy
alloy system with multiprincipal elements. Metallurgical and Materials Transactions A, 36, 881-893.
Tsai, K.-Y., M.-H. Tsai & J.-W. Yeh (2013) Sluggish diffusion in Co–Cr–Fe–Mn–Ni high-entropy alloys. Acta Materialia, 61, 4887-4897.
Tsai, M.-H. (2016) Three strategies for the design of advanced high-entropy alloys.
Entropy, 18, 252.
Tsai, M.-H. & J.-W. Yeh (2014) High-entropy alloys: a critical review. Materials Research Letters, 2, 107-123.
Wu, C., B.-J. Lee & X. Su (2017) Modified embedded-atom interatomic potential for Fe-Ni, Cr-Ni and Fe-Cr-Ni systems. Calphad, 57, 98-106.
Wu, S., H. Yen, M. Huang & A. Ngan (2012) Deformation twinning in submicron and micron pillars of twinning-induced plasticity steel. Scripta Materialia, 67, 641-644.
Xie, L., P. Brault, A.-L. Thomann & J.-M. Bauchire (2013) AlCoCrCuFeNi high entropy alloy cluster growth and annealing on silicon: A classical molecular dynamics simulation study. Applied Surface Science, 285, 810-816.
Xu, S., L. Xiong, Y. Chen & D. L. McDowell (2017) Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions.
Crystals, 7, 120.
Yao, M., K. Pradeep, C. Tasan & D. Raabe (2014) A novel, single phase, non-equiatomic FeMnNiCoCr high-entropy alloy with exceptional phase stability and tensile ductility. Scripta Materialia, 72, 5-8.
Yeh, J.-W. (2006) Recent progress in high entropy alloys. Ann. Chim. Sci. Mat, 31, 633-648.
--- (2015) Physical metallurgy of high-entropy alloys. Jom, 67, 2254-2261.
Yeh, J. W., S. K. Chen, S. J. Lin, J. Y. Gan, T. S. Chin, T. T. Shun, C. H. Tsau & S. Y.
Chang (2004) Nanostructured high‐entropy alloys with multiple principal elements: novel alloy design concepts and outcomes. Advanced Engineering Materials, 6, 299-303.
Yen, H.-W., M. Huang, C. Scott & J.-R. Yang (2012) Interactions between deformation-induced defects and carbides in a vanadium-containing TWIP steel. Scripta Materialia, 66, 1018-1023.