Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response

Shi, Rongpei; Khairallah, Saad; Heo, Tae Wook; Rolchigo, Matthew; McKeown, Joseph T.; Matthews, Manyalibo J.

doi:10.1007/s11837-019-03618-1

Title: Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response

Journal Article · 26 June 2019 · JOM. Journal of the Minerals, Metals & Materials Society

DOI: https://doi.org/10.1007/s11837-019-03618-1 · OSTI ID:1557073

^[1]; Khairallah, Saad ^[1]; Heo, Tae Wook ^[1]; Rolchigo, Matthew ^[1]; McKeown, Joseph T. ^[1]; Matthews, Manyalibo J. ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

In this work, to accelerate the establishment of fundamental understanding of the additive manufacturing (AM) process and its influence on microstructural evolution and related properties, we develop a multiphysics and multiscale modeling framework that integrates: (1) a high-fidelity powder-scale three-dimensional simulation of transient heat transfer and melt flow dynamics, (2) cellular automaton simulation of solidification grain structure and texture, (3) phase-field modeling of precipitation and dissolution of second-phase precipitate during repeated thermal cycles, and (4) microstructure-based micro- and mesoscopic elastic response calculation. Using Ti-6Al-4V as a model system, we demonstrate the application of the integrated framework to simulate complex microstructure evolution during a single-track laser powder bed fusion process and the associated mechanical response. Our modeling framework successfully captures the solidification β grain structure as a function of laser power and scanning speed, α precipitation upon subsequent cooling with different rates, and elastic response of the resulting (α + β) two-phase microstructure. The key features of solidification and second-phase precipitate microstructures, and their dependence on processing parameters, agree well with existing experimental observations. Finally, the established modeling framework is generally applicable to other metallic materials fabricated by AM.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1557073

Report Number(s):: LLNL-JRNL-767762; 958304

Journal Information:: JOM. Journal of the Minerals, Metals & Materials Society, Vol. 71, Issue 10; ISSN 1047-4838

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 38 works

Citation information provided by
Web of Science

References (42)

A Spectral Iterative Method for the Computation of Effective Properties Of Elastically Inhomogeneous Polycrystals Bhattacharyya, Saswata; Heo, Tae Wook; Chang, Kunok Communications in Computational Physics, Vol. 11, Issue 3 https://doi.org/10.4208/cicp.290610.060411a	journal	March 2012
Effect of low-angle grain boundaries on morphology and variant selection of grain boundary allotriomorphs and Widmanstätten side-plates Qiu, D.; Shi, R.; Zhao, P. Acta Materialia, Vol. 112 https://doi.org/10.1016/j.actamat.2016.04.033	journal	June 2016
Additive manufacturing of strong and ductile Ti–6Al–4V by selective laser melting via in situ martensite decomposition Xu, W.; Brandt, M.; Sun, S. Acta Materialia, Vol. 85 https://doi.org/10.1016/j.actamat.2014.11.028	journal	February 2015
Microstructural Control of Additively Manufactured Metallic Materials Collins, P. C.; Brice, D. A.; Samimi, P. Annual Review of Materials Research, Vol. 46, Issue 1 https://doi.org/10.1146/annurev-matsci-070115-031816	journal	July 2016
Probabilistic modelling of microstructure formation in solidification processes Rappaz, M.; Gandin, Ch. -A. Acta Metallurgica et Materialia, Vol. 41, Issue 2 https://doi.org/10.1016/0956-7151(93)90065-Z	journal	February 1993
Microstructure and transformation texture evolution during α precipitation in polycrystalline α/β titanium alloys – A simulation study Shi, R.; Zhou, N.; Niezgoda, S. R. Acta Materialia, Vol. 94 https://doi.org/10.1016/j.actamat.2015.04.050	journal	August 2015
Stress hot spots in viscoplastic deformation of polycrystals Rollett, A. D.; Lebensohn, R. A.; Groeber, M. Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 7 https://doi.org/10.1088/0965-0393/18/7/074005	journal	September 2010
Property optimization through microstructural control in titanium and aluminum alloys Lütjering, G. Materials Science and Engineering: A, Vol. 263, Issue 2 https://doi.org/10.1016/S0921-5093(98)01169-1	journal	May 1999
A 3D Cellular Automaton algorithm for the prediction of dendritic grain growth Gandin, Ch. -A; Rappaz, M. Acta Materialia, Vol. 45, Issue 5 https://doi.org/10.1016/S1359-6454(96)00303-5	journal	May 1997
An Overview of Dual-Phase Steels: Advances in Microstructure-Oriented Processing and Micromechanically Guided Design Tasan, C. C.; Diehl, M.; Yan, D. Annual Review of Materials Research, Vol. 45, Issue 1 https://doi.org/10.1146/annurev-matsci-070214-021103	journal	July 2015
Effective elastic properties of polycrystals based on phase-field description Sheng, G.; Bhattacharyya, S.; Zhang, H. Materials Science and Engineering: A, Vol. 554 https://doi.org/10.1016/j.msea.2012.06.012	journal	September 2012
A study of the microstructural evolution during selective laser melting of Ti–6Al–4V Thijs, Lore; Verhaeghe, Frederik; Craeghs, Tom Acta Materialia, Vol. 58, Issue 9 https://doi.org/10.1016/j.actamat.2010.02.004	journal	May 2010
Defects-dictated tensile properties of selective laser melted Ti-6Al-4V Voisin, Thomas; Calta, Nicholas P.; Khairallah, Saad A. Materials & Design, Vol. 158 https://doi.org/10.1016/j.matdes.2018.08.004	journal	November 2018
Phase field modeling of simultaneous nucleation and growth by explicitly incorporating nucleation events Simmons, J. P.; Shen, C.; Wang, Y. Scripta Materialia, Vol. 43, Issue 10 https://doi.org/10.1016/S1359-6462(00)00517-0	journal	October 2000
Observation of keyhole-mode laser melting in laser powder-bed fusion additive manufacturing King, Wayne E.; Barth, Holly D.; Castillo, Victor M. Journal of Materials Processing Technology, Vol. 214, Issue 12 https://doi.org/10.1016/j.jmatprotec.2014.06.005	journal	December 2014
Additive manufacturing of metallic components – Process, structure and properties DebRoy, T.; Wei, H. L.; Zuback, J. S. Progress in Materials Science, Vol. 92 https://doi.org/10.1016/j.pmatsci.2017.10.001	journal	March 2018
Theory of Growth of Spherical Precipitates from Solid Solution Zener, Clarence Journal of Applied Physics, Vol. 20, Issue 10 https://doi.org/10.1063/1.1698258	journal	October 1949
Phase transformations during cooling in α+β titanium alloys Ahmed, T.; Rack, H. J. Materials Science and Engineering: A, Vol. 243, Issue 1-2 https://doi.org/10.1016/S0921-5093(97)00802-2	journal	March 1998
A phase-field model of stress effect on grain boundary migration Bhattacharyya, Saswata; Heo, Tae Wook; Chang, Kunok Modelling and Simulation in Materials Science and Engineering, Vol. 19, Issue 3 https://doi.org/10.1088/0965-0393/19/3/035002	journal	March 2011
Microstructure and Mechanical Properties of Long Ti-6Al-4V Rods Additively Manufactured by Selective Electron Beam Melting Out of a Deep Powder Bed and the Effect of Subsequent Hot Isostatic Pressing Lu, S. L.; Tang, H. P.; Ning, Y. P. Metallurgical and Materials Transactions A, Vol. 46, Issue 9 https://doi.org/10.1007/s11661-015-2976-3	journal	May 2015
Phase-field modeling of displacive phase transformations in elastically anisotropic and inhomogeneous polycrystals Heo, Tae Wook; Chen, Long-Qing Acta Materialia, Vol. 76 https://doi.org/10.1016/j.actamat.2014.05.014	journal	September 2014
Mesoscopic simulation model of selective laser melting of stainless steel powder Khairallah, Saad A.; Anderson, Andy Journal of Materials Processing Technology, Vol. 214, Issue 11 https://doi.org/10.1016/j.jmatprotec.2014.06.001	journal	November 2014
A parallelized three-dimensional cellular automaton model for grain growth during additive manufacturing Lian, Yanping; Lin, Stephen; Yan, Wentao Computational Mechanics, Vol. 61, Issue 5 https://doi.org/10.1007/s00466-017-1535-8	journal	January 2018
3D Coupled Cellular Automaton (CA)–Finite Element (FE) Modeling for Solidification Grain Structures in Gas Tungsten Arc Welding (GTAW) Chen, Shijia; Guillemot, Gildas; Gandin, Charles-André ISIJ International, Vol. 54, Issue 2 https://doi.org/10.2355/isijinternational.54.401	journal	January 2014
A coupled finite element cellular automaton model to predict thermal history and grain morphology of Ti-6Al-4V during direct metal deposition (DMD) Zhang, Jingwei; Liou, Frank; Seufzer, William Additive Manufacturing, Vol. 11 https://doi.org/10.1016/j.addma.2016.04.004	journal	July 2016
Additive manufacturing of metals Herzog, Dirk; Seyda, Vanessa; Wycisk, Eric Acta Materialia, Vol. 117 https://doi.org/10.1016/j.actamat.2016.07.019	journal	September 2016
Laser powder-bed fusion additive manufacturing: Physics of complex melt flow and formation mechanisms of pores, spatter, and denudation zones Khairallah, Saad A.; Anderson, Andrew T.; Rubenchik, Alexander Acta Materialia, Vol. 108 https://doi.org/10.1016/j.actamat.2016.02.014	journal	April 2016
DREAM.3D: A Digital Representation Environment for the Analysis of Microstructure in 3D Groeber, Michael A.; Jackson, Michael A. Integrating Materials and Manufacturing Innovation, Vol. 3, Issue 1 https://doi.org/10.1186/2193-9772-3-5	journal	April 2014
Experimental assessment of variant selection rules for grain boundary in titanium alloys Shi, R.; Dixit, V.; Viswanathan, G. B. Acta Materialia, Vol. 102 https://doi.org/10.1016/j.actamat.2015.09.021	journal	January 2016
Microstructures and mechanical properties of electron beam-rapid manufactured Ti–6Al–4V biomedical prototypes compared to wrought Ti–6Al–4V Murr, L. E.; Esquivel, E. V.; Quinones, S. A. Materials Characterization, Vol. 60, Issue 2 https://doi.org/10.1016/j.matchar.2008.07.006	journal	February 2009
Massive transformation in Ti–6Al–4V additively manufactured by selective electron beam melting Lu, S. L.; Qian, M.; Tang, H. P. Acta Materialia, Vol. 104 https://doi.org/10.1016/j.actamat.2015.11.011	journal	February 2016
Multiscale Modeling of Powder Bed–Based Additive Manufacturing Markl, Matthias; Körner, Carolin Annual Review of Materials Research, Vol. 46, Issue 1 https://doi.org/10.1146/annurev-matsci-070115-032158	journal	July 2016
A phase-field model for heat treatment applications in Ni-based alloys Wen, Y. H.; Wang, B.; Simmons, J. P. Acta Materialia, Vol. 54, Issue 8 https://doi.org/10.1016/j.actamat.2006.01.001	journal	May 2006
Determination and controlling of grain structure of metals after laser incidence: Theoretical approach Dezfoli, Amir Reza Ansari; Hwang, Weng-Sing; Huang, Wei-Chin Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep41527	journal	January 2017
Systematic Approach to Microstructure Design of Ni-Base Alloys Using Classical Nucleation and Growth Relations Coupled with Phase Field Modeling Wang, Billie; Wen, Y. H.; Simmons, Jeff Metallurgical and Materials Transactions A, Vol. 39, Issue 5 https://doi.org/10.1007/s11661-007-9405-1	journal	March 2008
Phase-field modeling of bimodal particle size distributions during continuous cooling Wen, Y. H.; Simmons, J. P.; Shen, C. Acta Materialia, Vol. 51, Issue 4 https://doi.org/10.1016/S1359-6454(02)00516-5	journal	February 2003
A three-dimensional cellular automation-finite element model for the prediction of solidification grain structures Gandin, Ch. -A.; Desbiolles, J. -L.; Rappaz, M. Metallurgical and Materials Transactions A, Vol. 30, Issue 12 https://doi.org/10.1007/s11661-999-0226-2	journal	December 1999
Evolution of lattice strain in Ti–6Al–4V during tensile loading at room temperature Stapleton, Adam M.; Raghunathan, Seema L.; Bantounas, Ioannis Acta Materialia, Vol. 56, Issue 20 https://doi.org/10.1016/j.actamat.2008.08.030	journal	December 2008
Progress Toward an Integration of Process–Structure–Property–Performance Models for “Three-Dimensional (3-D) Printing” of Titanium Alloys Collins, P. C.; Haden, C. V.; Ghamarian, I. JOM, Vol. 66, Issue 7 https://doi.org/10.1007/s11837-014-1007-y	journal	June 2014
Variant selection of grain boundary α by special prior β grain boundaries in titanium alloys Shi, R.; Dixit, V.; Fraser, H. L. Acta Materialia, Vol. 75 https://doi.org/10.1016/j.actamat.2014.05.003	journal	August 2014
Welding Metallurgy Kou, Sindo https://doi.org/10.1002/0471434027	book	October 2002
Welding Metallurgy Ramakrishnan, P. Indian Welding Journal, Vol. 4, Issue 3 https://doi.org/10.22486/iwj.v4i3.150243	journal	June 1972