Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response
Abstract
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.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1557073
- Report Number(s):
- LLNL-JRNL-767762
Journal ID: ISSN 1047-4838; 958304
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- JOM. Journal of the Minerals, Metals & Materials Society
- Additional Journal Information:
- Journal Volume: 71; Journal Issue: 10; Journal ID: ISSN 1047-4838
- Publisher:
- Springer
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Shi, Rongpei, Khairallah, Saad, Heo, Tae Wook, Rolchigo, Matthew, McKeown, Joseph T., and Matthews, Manyalibo J. Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response. United States: N. p., 2019.
Web. doi:10.1007/s11837-019-03618-1.
Shi, Rongpei, Khairallah, Saad, Heo, Tae Wook, Rolchigo, Matthew, McKeown, Joseph T., & Matthews, Manyalibo J. Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response. United States. https://doi.org/10.1007/s11837-019-03618-1
Shi, Rongpei, Khairallah, Saad, Heo, Tae Wook, Rolchigo, Matthew, McKeown, Joseph T., and Matthews, Manyalibo J. Wed .
"Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response". United States. https://doi.org/10.1007/s11837-019-03618-1. https://www.osti.gov/servlets/purl/1557073.
@article{osti_1557073,
title = {Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response},
author = {Shi, Rongpei and Khairallah, Saad and Heo, Tae Wook and Rolchigo, Matthew and McKeown, Joseph T. and Matthews, Manyalibo J.},
abstractNote = {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.},
doi = {10.1007/s11837-019-03618-1},
journal = {JOM. Journal of the Minerals, Metals & Materials Society},
number = 10,
volume = 71,
place = {United States},
year = {Wed Jun 26 00:00:00 EDT 2019},
month = {Wed Jun 26 00:00:00 EDT 2019}
}
Web of Science
Figures / Tables:
Works referenced in this record:
A Spectral Iterative Method for the Computation of Effective Properties Of Elastically Inhomogeneous Polycrystals
journal, March 2012
- Bhattacharyya, Saswata; Heo, Tae Wook; Chang, Kunok
- Communications in Computational Physics, Vol. 11, Issue 3
Effect of low-angle grain boundaries on morphology and variant selection of grain boundary allotriomorphs and Widmanstätten side-plates
journal, June 2016
- Qiu, D.; Shi, R.; Zhao, P.
- Acta Materialia, Vol. 112
Additive manufacturing of strong and ductile Ti–6Al–4V by selective laser melting via in situ martensite decomposition
journal, February 2015
- Xu, W.; Brandt, M.; Sun, S.
- Acta Materialia, Vol. 85
Microstructural Control of Additively Manufactured Metallic Materials
journal, July 2016
- Collins, P. C.; Brice, D. A.; Samimi, P.
- Annual Review of Materials Research, Vol. 46, Issue 1
Probabilistic modelling of microstructure formation in solidification processes
journal, February 1993
- Rappaz, M.; Gandin, Ch. -A.
- Acta Metallurgica et Materialia, Vol. 41, Issue 2
Microstructure and transformation texture evolution during α precipitation in polycrystalline α/β titanium alloys – A simulation study
journal, August 2015
- Shi, R.; Zhou, N.; Niezgoda, S. R.
- Acta Materialia, Vol. 94
Stress hot spots in viscoplastic deformation of polycrystals
journal, September 2010
- Rollett, A. D.; Lebensohn, R. A.; Groeber, M.
- Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 7
Property optimization through microstructural control in titanium and aluminum alloys
journal, May 1999
- Lütjering, G.
- Materials Science and Engineering: A, Vol. 263, Issue 2
A 3D Cellular Automaton algorithm for the prediction of dendritic grain growth
journal, May 1997
- Gandin, Ch. -A; Rappaz, M.
- Acta Materialia, Vol. 45, Issue 5
An Overview of Dual-Phase Steels: Advances in Microstructure-Oriented Processing and Micromechanically Guided Design
journal, July 2015
- Tasan, C. C.; Diehl, M.; Yan, D.
- Annual Review of Materials Research, Vol. 45, Issue 1
Effective elastic properties of polycrystals based on phase-field description
journal, September 2012
- Sheng, G.; Bhattacharyya, S.; Zhang, H.
- Materials Science and Engineering: A, Vol. 554
A study of the microstructural evolution during selective laser melting of Ti–6Al–4V
journal, May 2010
- Thijs, Lore; Verhaeghe, Frederik; Craeghs, Tom
- Acta Materialia, Vol. 58, Issue 9
Defects-dictated tensile properties of selective laser melted Ti-6Al-4V
journal, November 2018
- Voisin, Thomas; Calta, Nicholas P.; Khairallah, Saad A.
- Materials & Design, Vol. 158
Phase field modeling of simultaneous nucleation and growth by explicitly incorporating nucleation events
journal, October 2000
- Simmons, J. P.; Shen, C.; Wang, Y.
- Scripta Materialia, Vol. 43, Issue 10
Observation of keyhole-mode laser melting in laser powder-bed fusion additive manufacturing
journal, December 2014
- King, Wayne E.; Barth, Holly D.; Castillo, Victor M.
- Journal of Materials Processing Technology, Vol. 214, Issue 12
Additive manufacturing of metallic components – Process, structure and properties
journal, March 2018
- DebRoy, T.; Wei, H. L.; Zuback, J. S.
- Progress in Materials Science, Vol. 92
Theory of Growth of Spherical Precipitates from Solid Solution
journal, October 1949
- Zener, Clarence
- Journal of Applied Physics, Vol. 20, Issue 10
Phase transformations during cooling in α+β titanium alloys
journal, March 1998
- Ahmed, T.; Rack, H. J.
- Materials Science and Engineering: A, Vol. 243, Issue 1-2
A phase-field model of stress effect on grain boundary migration
journal, March 2011
- Bhattacharyya, Saswata; Heo, Tae Wook; Chang, Kunok
- Modelling and Simulation in Materials Science and Engineering, Vol. 19, Issue 3
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
journal, May 2015
- Lu, S. L.; Tang, H. P.; Ning, Y. P.
- Metallurgical and Materials Transactions A, Vol. 46, Issue 9
Phase-field modeling of displacive phase transformations in elastically anisotropic and inhomogeneous polycrystals
journal, September 2014
- Heo, Tae Wook; Chen, Long-Qing
- Acta Materialia, Vol. 76
Mesoscopic simulation model of selective laser melting of stainless steel powder
journal, November 2014
- Khairallah, Saad A.; Anderson, Andy
- Journal of Materials Processing Technology, Vol. 214, Issue 11
A parallelized three-dimensional cellular automaton model for grain growth during additive manufacturing
journal, January 2018
- Lian, Yanping; Lin, Stephen; Yan, Wentao
- Computational Mechanics, Vol. 61, Issue 5
3D Coupled Cellular Automaton (CA)–Finite Element (FE) Modeling for Solidification Grain Structures in Gas Tungsten Arc Welding (GTAW)
journal, January 2014
- Chen, Shijia; Guillemot, Gildas; Gandin, Charles-André
- ISIJ International, Vol. 54, Issue 2
A coupled finite element cellular automaton model to predict thermal history and grain morphology of Ti-6Al-4V during direct metal deposition (DMD)
journal, July 2016
- Zhang, Jingwei; Liou, Frank; Seufzer, William
- Additive Manufacturing, Vol. 11
Additive manufacturing of metals
journal, September 2016
- Herzog, Dirk; Seyda, Vanessa; Wycisk, Eric
- Acta Materialia, Vol. 117
Laser powder-bed fusion additive manufacturing: Physics of complex melt flow and formation mechanisms of pores, spatter, and denudation zones
journal, April 2016
- Khairallah, Saad A.; Anderson, Andrew T.; Rubenchik, Alexander
- Acta Materialia, Vol. 108
DREAM.3D: A Digital Representation Environment for the Analysis of Microstructure in 3D
journal, April 2014
- Groeber, Michael A.; Jackson, Michael A.
- Integrating Materials and Manufacturing Innovation, Vol. 3, Issue 1
Experimental assessment of variant selection rules for grain boundary in titanium alloys
journal, January 2016
- Shi, R.; Dixit, V.; Viswanathan, G. B.
- Acta Materialia, Vol. 102
Microstructures and mechanical properties of electron beam-rapid manufactured Ti–6Al–4V biomedical prototypes compared to wrought Ti–6Al–4V
journal, February 2009
- Murr, L. E.; Esquivel, E. V.; Quinones, S. A.
- Materials Characterization, Vol. 60, Issue 2
Massive transformation in Ti–6Al–4V additively manufactured by selective electron beam melting
journal, February 2016
- Lu, S. L.; Qian, M.; Tang, H. P.
- Acta Materialia, Vol. 104
Multiscale Modeling of Powder Bed–Based Additive Manufacturing
journal, July 2016
- Markl, Matthias; Körner, Carolin
- Annual Review of Materials Research, Vol. 46, Issue 1
A phase-field model for heat treatment applications in Ni-based alloys
journal, May 2006
- Wen, Y. H.; Wang, B.; Simmons, J. P.
- Acta Materialia, Vol. 54, Issue 8
Determination and controlling of grain structure of metals after laser incidence: Theoretical approach
journal, January 2017
- Dezfoli, Amir Reza Ansari; Hwang, Weng-Sing; Huang, Wei-Chin
- Scientific Reports, Vol. 7, Issue 1
Systematic Approach to Microstructure Design of Ni-Base Alloys Using Classical Nucleation and Growth Relations Coupled with Phase Field Modeling
journal, March 2008
- Wang, Billie; Wen, Y. H.; Simmons, Jeff
- Metallurgical and Materials Transactions A, Vol. 39, Issue 5
Phase-field modeling of bimodal particle size distributions during continuous cooling
journal, February 2003
- Wen, Y. H.; Simmons, J. P.; Shen, C.
- Acta Materialia, Vol. 51, Issue 4
A three-dimensional cellular automation-finite element model for the prediction of solidification grain structures
journal, December 1999
- Gandin, Ch. -A.; Desbiolles, J. -L.; Rappaz, M.
- Metallurgical and Materials Transactions A, Vol. 30, Issue 12
Evolution of lattice strain in Ti–6Al–4V during tensile loading at room temperature
journal, December 2008
- Stapleton, Adam M.; Raghunathan, Seema L.; Bantounas, Ioannis
- Acta Materialia, Vol. 56, Issue 20
Progress Toward an Integration of Process–Structure–Property–Performance Models for “Three-Dimensional (3-D) Printing” of Titanium Alloys
journal, June 2014
- Collins, P. C.; Haden, C. V.; Ghamarian, I.
- JOM, Vol. 66, Issue 7
Variant selection of grain boundary α by special prior β grain boundaries in titanium alloys
journal, August 2014
- Shi, R.; Dixit, V.; Fraser, H. L.
- Acta Materialia, Vol. 75