journal article·2017-03

Microstructure-Based Multiscale Analysis of Hot Rolling of Duplex Stainless Steel Using Various Simulation Software

Sukeharu Nomoto, Mototeru Oba, Kazuki Mori, Akinori Yamanaka

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Abstract

We proposed a microstructure-based multiscale simulation framework using various commercial simulation software and applied it to analyze the hot rolling of duplex stainless steel. According to the Integrated Computational Material Engineering (ICME) concept, we established a procedure to bridge various simulation software from nano- to macroscopic length scales. Using our framework, first, microstructure evolutions by multiphase field (MPF) simulations coupled with the Calculation of Phase Diagrams (CALPHAD) database were performed. In our application, we simulated the columnar and equiaxed solidification during the continuous casting of duplex stainless steel. In the MPF simulations, the temperature field in the slab was calculated by heat conduction analysis using a finite element method (FEM). Then, the macroscopic elastic and plastic mechanical properties of the microstructure obtained by the MPF simulations were estimated by the virtual material test using a nonlinear FEM based on the homogenization method. Because the elastic constants of single δ-ferrite and γ phases in the microstructure are necessary for the virtual material test, they were calculated by molecular dynamics and first principle calculations. Furthermore, the plastic stress–strain properties of the single phases were estimated on the basis of the results of nano-indentation and uniaxial tensile tests. Subsequently, the hot rolling of the slab was simulated using an elastoplastic FEM with the mechanical properties obtained by the virtual material test. Finally, the static recrystallization in the rolled slab was again simulated by the MPF method.
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Research context

OpenAlex topics: Aluminum Alloy Microstructure Properties · Microstructure and mechanical properties · Microstructure and Mechanical Properties of Steels

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (39)

Show source-provided references
1. Steinbach I, Pezzolla F, Nestler B, Seeßelberg M, Prieler R, Schmitz GJ (1996) A phase field concept for multiphase systems. Physica D 94:135–147. doi: 10.1016/0167-2789(95)00298-710.1016/0167-2789(95)00298-7 ↗
2. Eiken J, Boettiger B, Steinbach I (2006) Multiphase-field approach for multicomponent alloys with extrapolation scheme for numerical application. Phys Rev E 73:066122. doi: 10.1103/PhysRevE.73.06612210.1103/PhysRevE.73.066122 ↗
3. Fukumoto S, Oikawa Y, Tsuge S, Nomoto S (2010) Prediction of σ phase formation in Fe–Cr–Ni–Mo–N alloys. ISIJ Int 50:445–449. doi: 10.2355/isijinternational.50.44510.2355/isijinternational.50.445 ↗
4. Böttger B, Apel M, Santillana B, Eskin DG (2013) Relationship between solidification microstructure and hot cracking susceptibility for continuous casting of low-carbon and high-strength low-alloyed steels: a phase-field study. Metall Mater Trans A 44:3765–3777. doi: 10.1007/s11661-013-1732-910.1007/s11661-013-1732-9 ↗
5. Schmitz GJ, Prahl U (eds) Integrated computational materials engineering. Wiley-VCH, Weinheim
6. Guedes JM, Kikuchi N (1990) Preprocessing and postprocessing for materials based on the homogenization method with adaptive finite element methods. Comput Methods Appl Mech Eng 83:143–198. doi: 10.1016/0045-7825(90)90148-F10.1016/0045-7825(90)90148-F ↗
7. Dassault Systèmes Simulia Corp. (2014) Abaqus 6.14 analysis user’s guide. Providence, RI, USA: http://www.3ds.com/simulia
8. Shibuta Y, Sakane S, Takaki T, Ohno M (2016) Submicrometer-scale molecular dynamics simulation of nucleation and solidification from undercooled melt: linkage between empirical interpretation and atomistic nature. Acta Mater 105:328–337. doi: 10.1016/j.actamat.2015.12.03310.1016/j.actamat.2015.12.033 ↗
9. Xu N, Raulot JM, Li ZB, Bai J, Yang B, Zhang YD, Meng XY, Zhao X, Zuo L, Esling C (2015) Composition-dependent structural and magnetic properties of Ni-Mn-Ga alloys studied by ab initio calculations. J Mater Sci 50:3825–3834. doi: 10.1007/s10853-015-8951-y10.1007/s10853-015-8951-y ↗
10. Liang H, Upmanyu M, Huang H (2005) Size-dependent elasticity of nanowires: nonlinear effects. Phys Rev B 71:241403–241403. doi: 10.1103/PhysRevB.71.24140310.1103/PhysRevB.71.241403 ↗
11. Lee JG (2011) Computational materials science: an introduction. CRC press, New York10.1201/9781439897362 ↗
12. Chollacoop N, Dao M, Suresh S (2003) Depth-sensing instrumented indentation with dual sharp indenters. Acta Mater 51:3713–3729. doi: 10.1016/S1359-6454(03)00186-110.1016/S1359-6454(03)00186-1 ↗
13. Pelletier H (2006) Predictive model to estimate the stress–strain curves of bulk metals using nanoindentation. Tribol Int 39:593–606. doi: 10.1016/j.triboint.2005.03.01910.1016/j.triboint.2005.03.019 ↗
14. Laschet G (2002) Homogenization of the thermal properties of transpiration cooled multi-layer plates. Comput Method Appl M 191:4535–4554. doi: 10.1016/S0045-7825(02)00319-510.1016/S0045-7825(02)00319-5 ↗
15. Barroqueiro B, Dias-de-Oliveira J, Pinho-da-Cruz J, Andrade-Campos A (2016) Practical implementation of asymptotic expansion homogenisation in thermoelasticity using a commercial simulation software. Compos Struct 141:117–131. doi: 10.1016/j.compstruct.2016.01.03610.1016/j.compstruct.2016.01.036 ↗
16. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comp Phys 117:1–9 doi: 10.1006/jcph.1995.103910.1006/jcph.1995.1039 ↗
17. Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys Rev B 47:558–561. doi: 10.1103/PhysRevB.47.55810.1103/PhysRevB.47.558 ↗
18. Kresse G, Furthmuller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169–11186. doi: 10.1103/PhysRevB.54.1116910.1103/PhysRevB.54.11169 ↗
19. Bonny G, Castin N, Terentyev D (2013) Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy. Model Simul Mater Sci Eng. doi: 10.1088/0965-0393/21/8/08500410.1088/0965-0393/21/8/085004 ↗
20. Nishimatsu T, Iwamoto M, Kawazoe Y, Waghmare UV (2010) First principles accurate total-energy surfaces for polar structural distortions of BaTiO3, PbTiO3 and SrTiO3: consequences to structural transition temperatures. Phys Rev B 82:134106–134115. doi: 10.1103/PhysRevB.82.13410610.1103/PhysRevB.82.134106 ↗
21. Xie L, Brault P, Thomann AL, Bauchire JM (2013) AlCoCrCuFeNi high entropy alloy cluster growth and annealing on silicon: a classical molecular dynamics simulation study. Appl Surf Sci 286:810–816. doi: 10.1016/j.apsusc.2013.08.13310.1016/j.apsusc.2013.08.133 ↗
22. Blochl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953–17979. doi: 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
23. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59:1758–1775. doi: 10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
24. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868. doi: 10.1103/PhysRevLett.77.386910.1103/PhysRevLett.77.3869 ↗
25. Birch F (1938) The effect of pressure upon the elastic parameters of isotropic solids, according to Murnaghan's theory of finite strain. J Appl Phys 9:279–288. doi: 10.1063/1.171041710.1063/1.1710417 ↗
26. Birch F (1947) Finite elastic strain of cubic crystals. Phys Rev 71:809–824. doi: 10.1103/PhysRev.71.80910.1103/PhysRev.71.809 ↗
27. Dao M, Chollacoop N, Vanvliet KJ, Venkatesh TA, Suresh S (2001) Computational modeling of the forward and reverse problems in instrumented sharp indentation. Acta Mater 49:3899–3918. doi: 10.1016/S1359-6454(01)00295-610.1016/S1359-6454(01)00295-6 ↗
28. JAEA, PNC TN941 85-128, (1985): http://jolissrch-inter.tokai-sc.jaea.go.jp/search/servlet/search?4032090
29. Renaud P, Steinemann SG (1990) High temperature elastic constants of fcc Fe-Ni invar alloys. Physica B 161:75–78. doi: 10.1016/0921-4526(89)90107-510.1016/0921-4526(89)90107-5 ↗
30. Singh AK, Mao HK, Shu J, Hemley RJ (1998) Estimation of single-crystal elastic moduli from polycrystalline x-ray diffraction at high pressure: application to FeO and iron. Phys Rev Lett 80:2157–2160. doi: 10.1103/PhysRevLett.80.215710.1103/PhysRevLett.80.2157 ↗
31. Steibach I (2009) Pattern formation in constrained dendritic growth with solutal buoyancy. Acta Mater 57:2640–2645. doi: 10.1016/j.actamat.2009.02.00410.1016/j.actamat.2009.02.004 ↗
32. Laschet G, Apel M (2010) Thermo-elastic homogenization of 3-D steel microstructure simulated by the phase-field method. Steel Res Int 81:637–643. doi: 10.1002/srin.20100007710.1002/srin.201000077 ↗
33. Vondrous A (2014) Grain growth behavior and efficient large scale simulations of recrystallization with the phase-field method. Scientific Publishing, Karlsruhe. doi: 10.5445/KSP/100004352010.5445/KSP/1000043520 ↗
34. Hualei Z, Punkkinen MPJ, Johansson B, Hertzman S, Vitos L (2010) Single-crystal elastic constants of ferromagnetic bcc Fe-based random alloys from first principles theory. Phys Rev B 81:184105. doi: 10.1103/PhysRevB.81.18410510.1103/PhysRevB.81.184105 ↗
35. Medvedeva NI, Murthy AS, Richards VL, Van Aken DC, Medvedeva JE (2013) First principles study of cobalt impurity in bcc Fe with Cu precipitates. J Mater Sci 48:1377–1386. doi: 10.1007/s10853-012-6884-210.1007/s10853-012-6884-2 ↗
36. Zhang H, Wang G, Punkkinen MP, Hertzman S, Johansson B, Vitos L (2013) Elastic anomalies in Fe-Cr alloys. J Phys Condens Matter 25:195501. doi: 10.1088/0953-8984/25/19/19550110.1088/0953-8984/25/19/195501 ↗
37. Bruner LJ, Keyes RW (1961) Electronic effect in the elastic constants of germanium. Phys Rev Lett 7:55–56. doi: 10.1103/PhysRevLett.7.5510.1103/PhysRevLett.7.55 ↗
38. Miyoshi E, Takaki T (2016) Extended higher-order multi-phase-field model for three-dimensional anisotropic-grain-growth simulations. Comput Mater Sci 120:77–83. doi: 10.1016/j.commatsci.2016.04.01410.1016/j.commatsci.2016.04.014 ↗
39. Roters F, Eisenlohr P, Bieler TR, Raabe D (2010) Crystal plasticity finite element method. Wiley-VCH, Weinheim10.1002/9783527631483 ↗