Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water
Wang, H.; Han, E.
Computational Materials Science 149: 143-152
2018
ISSN/ISBN: 0927-0256 DOI: 10.1016/j.commatsci.2018.03.025
Accession: 081459632
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References
Kamaya, M.; Chiba, G.; Nakajima, N.; Totsuka, N. 2001: Multiple crack initiation and propagation behavior of stainless steel in high: Temperature water environment and examination by a simulation NACE - International Corrosion Conference Series 2001-MarchShi, A.; Zheng, H.; Chen, Z.; Zhang, W.; Zhou, X.; Rossi, C.; Shen, R.; Ye, Y. 2022: Exploring the Interfacial Reaction of Nano Al/CuO Energetic Films through Thermal Analysis and Ab Initio Molecular Dynamics Simulation Molecules 27(11)
Hong, C.; Chen, T.; Li, Z.; Du, A.; Liu, M.; Liu, P.; Lu, Y. 2022: Uniaxial ratcheting behavior and molecular dynamics simulation evaluation of 316LN stainless steel Materials Science and Engineering: A 849: 143535
Guo, W.; Bai, Q.; Dou, Y.; Chen, S.; Wang, H. 2022: Molecular dynamics simulation of frictional strengthening behavior of graphene on stainless steel substrate Carbon 197: 183-191
Wang, X.; Chang, J.; Gao, D.; Fang, N.; Zhang, S.; Yang, X.; Wen, G.; Wu, S.; Long, W.; He, P. 2022: Molecular Dynamics Simulation of High-Nitrogen Stainless Steel Brazed by AgCuNi Filler Metal Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering 51(9): 3223-3229
Ziemniak, S.E.; Hanson, M. 2002: Corrosion behavior of 304 stainless steel in high temperature, hydrogenated water Corrosion Science 44(10): 2209-2230
Gabrieli, A.; Sant, M.; Izadi, S.; Shabane, P.S.; Onufriev, A.V.; Suffritti, G.B. 2018: High-Temperature Dynamic Behavior in Bulk Liquid Water: a Molecular Dynamics Simulation Study using the OPC and TIP4P-Ew Potentials Frontiers of Physics 13(1)
Gang, H.-Z.; Liu, J.-F.; Mu, B.-Z. 2010: Interfacial behavior of surfactin at the decane/water interface: a molecular dynamics simulation Journal of Physical Chemistry. B 114(46): 14947-14954
Ou, X.; Li, J.; Lin, Z. 2014: Dynamic Behavior of Interfacial Water on Mg(OH)2 (001) Surface: a Molecular Dynamics Simulation Work The Journal of Physical Chemistry C 118(51): 29887-29895
Webb Iii, E.B.; Garofalini, S.H. 1996: Molecular dynamics simulation of elevated temperature interfacial behavior between silica glass and a model crystal The Journal of Chemical Physics 105(2): 792-801
Urbinavillalba, G.; Landrove, R.M.; Guaregua, J.A. 1997: Molecular dynamics simulation of the interfacial behavior of a heptane/water system in the presence of nonylphenol triethoxylated surfactants. 1. Surface energy, surface entropy, and interaction energies as a function of temperature and surfactant concentration Langmuir 13(6): 1644-1652
VandeVondele, J.; Mohamed, F.; Krack, M.; Hutter, J.ür.; Sprik, M.; Parrinello, M. 2005: The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water Journal of Chemical Physics 122(1): 14515
Liang, K. 2016: The Effects of Trace Pb O on the Oxide Behavior of 304L Stainless Steel in High Temperature Water International Journal of Electrochemical Science: 10928-10938
Li, Z.; Cai, Z.; Yang, W.; Shen, X.; Xue, G.; Zhu, M. 2018: Characterization and corrosion behavior of F6NM stainless steel treated in high temperature water Applied Surface Science 435: 312-319
Ziemniak, S.E.; Hanson, M.; Sander, P.C. 2008: Electropolishing effects on corrosion behavior of 304 stainless steel in high temperature, hydrogenated water Corrosion Science 50(9): 2465-2477
Juntao, Y.U.A.N.; Ximao, W.U.; Wen, W.A.N.G.; Shenglong, Z.H.U.; Fuhui, W.A.N.G. 2013: The Effect of Surface Finish on the Scaling Behavior of Stainless Steel in Steam and Supercritical Water : Water Vapor Effects in High Temperature Oxidation Oxidation of Metals 79(5-6): 541-551
Sun, T.; Tian, J.; Chen, H.; Zhang, B.; Li, F.; Shi, H. 2025: Research on High-Temperature Damage Behavior of Super Martensitic Stainless Steel 04Cr13Ni5Mo Based on Finite Element Simulation Materials 18(23)
Nakano, J.; Sato, T.; Kato, C.; Yamamoto, M.; Tsukada, T.; Kaji, Y. 2014: Effects of temperature on stress corrosion cracking behavior of stainless steel and outer oxide distribution in cracks due to exposure to high-temperature water containing hydrogen peroxide Journal of Nuclear Materials 444(1-3): 454-461
Deng, P.; En-Hou, H.; Peng, Q.; Sun, C. 2021: Corrosion Behavior and Mechanism of Irradiated 304 Nuclear Grade Stainless Steel in High-Temperature Water Acta Metallurgica Sinica (English Letters) 34(2): 174-186
Yi, G.-M.; Cheng, Y.-H.; Ren, L.; Yang, J.; Wang, Q.; Li, X. 2022: Corrosion behavior of 316 stainless steel for advanced high-temperature water-cooled nuclear plant Surface and Interface Analysis 54(7): 767-774