Study on micro-crack propagation mechanism in different positions of single crystal titanium at nanoscale

Wei Li,Meng Li,Rui Sun,Xinxin Xing,Ping Wang,Tatsuo Sakai, Faceted crack induced failure behavior and micro-crack growth based strength evaluation of titanium alloys under very high cycle fatigue: International J. Fatigue, 2020. Jia, 2022, Plastic deformation behavior of metal materials: a review of constitutive models, Metals, 12, 2077, 10.3390/met12122077 Suratwala, 2019, Subsurface mechanical damage correlations after grinding of various optical materials, Opt. Eng., 58, 1, 10.1117/1.OE.58.9.092604 Jinfei, 2023, Dislocation behavior in initial stage of plastic deformation for CoCrNi medium entropy alloy, J. Alloy. Compd., 943, 10.1016/j.jallcom.2023.169057 Matsugaki, 2023, Review—metal additive manufacturing of titanium alloys for control of hard tissue compatibility, Mater. Trans., 64, 25, 10.2320/matertrans.MT-MLA2022012 Engineering; Nippon Steel Corporation Researchers Further Understanding of Engineering, 2023. Sidhu, 2022, Advances in titanium bio-implants: alloy design, surface engineering and manufacturing processes, J. Mater. Res., 37, 2487, 10.1557/s43578-022-00661-8 Science - Mechanical Science; Reports Summarize Mechanical Science Findings from Shanghai University of Engineering Science, 2023. Wyzgoski, 2005, Predicting fatigue S-N (stress-number of cycles to fail) behavior of reinforced plastics using fracture mechanics theory, J. Mater. Sci., 40, 295, 10.1007/s10853-005-6082-6 Costa, 2022, Influence of single diamond wire sawing of photovoltaic monocrystalline silicon on the feed force, surface roughness and micro-crack depth, Mater. Sci. Semicond. Process., 143, 10.1016/j.mssp.2022.106525 Zhang, 2023, Crystal crack dislocation model and micro-crack nucleation criterion in the hydrogen environment, Eur. J. Mech. - A/Solids, 98, 10.1016/j.euromechsol.2022.104899 Golewski, 2021, The beneficial effect of the addition of fly ash on reduction of the size of microcracks in the ITZ of concrete composites under dynamic loading, Energies, 14, 668, 10.3390/en14030668 Guo, 2023, Achieving superior fatigue strength in a powder-metallurgy titanium alloy via in-situ globularization during hot isostatic pressing, Scr. Mater., 228, 10.1016/j.scriptamat.2023.115345 Leinenbach, 2022, Characterization of the cyclic deformation behaviour and fatigue crack initiation on titanium in physiological media by electrochemical techniques, Int. J. Mater. Res., 95, 535, 10.1515/ijmr-2004-0104 Yi, 2023, Effect of TiO2 nanoparticles on the mass transfer process of absorption of toluene: experimental investigation and molecular dynamics simulation, J. Environ. Chem. Eng., 10.1016/j.jece.2023.109474 Xiang, 2022, Atomic diffusion and crystal structure evolution at the Fe-Ti interface: molecular dynamics simulations, Materials, 15, 6302, 10.3390/ma15186302 Arifin, 2022, Atomic diffusion at the Ni–Ti liquid interface using molecular dynamics simulations, Can. Metall. Q., 61, 359, 10.1080/00084433.2022.2039869 Gholizadeh, 2022, Molecular dynamic simulation of crack growth in Ti/TiN multilayer coatings, Mater. Today Commun., 30 Li, 2020, Study on micro-crack propagation behavior of single-crystal α-Ti under shear stress based on molecular dynamics, Mater. Today Commun., 25 Zhang, 2021, Effects of Al on crack propagation in titanium alloys and the governing toughening mechanism, Mech. Mater., 163, 10.1016/j.mechmat.2021.104107 Hirel, 2015, Atomsk: a tool for manipulating and converting atomic data files, Comput. Phys. Commun., 197, 212, 10.1016/j.cpc.2015.07.012 Plimpton, 1995, Fast parallel algorithms for short-range molecular dynamics, J. Comput. Phys., 117, 1, 10.1006/jcph.1995.1039 Chirkov, 2015, Molecular-dynamics simulations of carbon ordering in bcc Fe and its impact on martensite transition, Mater. Today.: Proc., 2, S553, 10.1016/j.matpr.2015.07.345 Rydzewski, 2015, Communication: entropic measure to prevent energy over-minimization in molecular dynamics simulations, J. Chem. Phys., 143, 10.1063/1.4935370 Stukowski, 2010, Visualization and analysis of atomistic simulation data with OVITO–the open visualization tool, Model. Simul. Mater. Sci. Eng., 18, 10.1088/0965-0393/18/1/015012 Farkas, 2018, Model interatomic potentials and lattice strain in a high-entropy alloy, J. Mater. Res, 33, 3218, 10.1557/jmr.2018.245 Fang, 2018, Deformation behaviors of Cu29Zr32Ti15Al5Ni19 high entropy bulk metallic glass during nanoindentation, Appl. Surf. Sci., 443, 122, 10.1016/j.apsusc.2018.02.245 Zhu, 2014, On the mechanism of material removal in nanometric cutting of metallic glass, Appl. Phys. A, 116, 605, 10.1007/s00339-013-8189-y Yin, 2021, Study of nanoscale wear of SiC/Al nanocomposites using molecular dynamics simulations, Tribol. Lett., 69, 38, 10.1007/s11249-021-01414-0 Stukowski, 2012, Automated identification and indexing of dislocations in crystal interfaces, Model. Simul. Mater. Sci. Eng., 20, 10.1088/0965-0393/20/8/085007 Lebyodkin, 2018, Complexity and anisotropy of plastic flow of α-Ti probed by acoustic emission and local extensometry, Materials, 10.3390/ma11071061 Ren Junqiang,Shao Shan,Wang Qi,Yang Dan,Lu Xuefeng,Xue Hongtao,Tang Fuling, Dynamics of Edge Dislocation in Ti–O Single Crystal Alloys at the Atomic Scale, Physica Status Solidi (b), 2022. Tu Youyou,Chu Weibin,Shi Yongliang,Zhu Wenguang,Zheng Qijing,Zhao Jin, High Photoreactivity on a Reconstructed Anatase TiO2(001) Surface Predicted by Ab Initio Nonadiabatic Molecular Dynamics, The Journal of Physical Chemistry Letters, 2022. Kositski, 2021, Employing molecular dynamics to shed light on the microstructural origins of the Taylor-Quinney coefficient, Acta Mater., 205, 10.1016/j.actamat.2020.116511 Poletaev, 2021, Self-diffusion in liquid and solid alloys of the Ti–Al System: molecular dynamics simulation, J. Exp. Theor. Phys., 10.1134/S1063776121090041