Abstract
Integrated computational materials engineering (ICME) methods combining CALPHAD with process-based simulations can produce rich, high-dimensional data for alloy and process design. In ICME methods for metallurgical applications, the visualization and interpretation of such high-dimensional data has previously been through heat maps represented in 2 or 3 dimensions. While such an approach is ideal when one variable is varied at a time, in the case of high-dimensional data with multiple variables varied simultaneously, as is the case in additive manufacturing, interpreting the trends through two- or three-dimensional heat maps becomes challenging. Here, we propose a strategy of mixed visual data mining and quantitative analysis for high-dimensional metallurgical and process data using high-throughput thermodynamic calculations. Two case studies show the application of the proposed approach. The first case study investigated the effects of feedstock chemistry on the \(\delta\) ferrite formation in 316L stainless steel powders used for binder jet additive manufacturing. The second case study linked Scheil–Gulliver calculations to a process model for dissimilar joining of aluminum alloys 5356 and 6111 during laser hot-wire additive manufacturing. Both cases contained thousands of calculated data points, showcasing the utility of visual data analysis through parallel coordinate plotting, Pearson correlation coefficient matrices, and scatter matrices compared to traditional process maps. These visualization techniques can be extended to many additive manufacturing problems to capture process–structure–property relationships for additively manufactured components.
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References
Tan C, Wang D, Ma W, Chen Y, Chen S, Yang Y, Zhou K (2020) Design and additive manufacturing of novel conformal cooling molds. Mater Des 196:109147
Mazur M, Leary M, McMillan M, Elambasseril J, Brandt M (2016) Slm additive manufacture of h13 tool steel with conformal cooling and structural lattices. Rapid Prototyp J 22(3):504–518
Bajaj P, Hariharan A, Kini A, Kürnsteiner P, Raabe D, Jägle EA (2020) Steels in additive manufacturing: a review of their microstructure and properties. Mater Sci Eng, A 772:138633
Zuback JS, Moradifar P, Khayat Z, Alem N, Palmer TA (2019) Impact of chemical composition on precipitate morphology in an additively manufactured nickel base superalloy. J Alloy Compd 798:446–457
Nandwana P, Elliott AM, Siddel D, Merriman A, Peter WH, Babu SS (2017) Powder bed binder jet 3D printing of Inconel 718: densification, microstructural evolution and challenges. Curr Opin Solid State Mater Sci 21(4):207–218
Yang S, Lu J, Xing F, Zhang L, Zhong Yu (2020) Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al-Co-Cr-Fe-Ni system. Acta Mater 192:11–19
Xiong W, Olson GB (2015) Integrated computational materials design for high-performance alloys. MRS Bull 40(12):1035–1043
Gorsse S, Tancret F (2018) Current and emerging practices of CALPHAD toward the development of high entropy alloys and complex concentrated alloys. J Mater Res 33(19):2899–2923
Van De Walle A, Asta M (2019) High-throughput calculations in the context of alloy design. MRS Bull 44(4):252–256
Shi R (2020) Applications of CALPHAD (CALculation of PHAse diagram) modeling in organic orientationally disordered phase change materials for thermal energy storage. Thermochimica Acta 683:178461
Wang X, Sridar S, Xiong W (2020) Thermodynamic investigation of new high-strength low-alloy steels with heusler phase strengthening for welding and additive manufacturing: high-throughput CALPHAD calculations and key experiments for database verification. J Phase Equilib Diffus 41(6):804–818
Zhang C, Jiang X, Zhang R, Wang X, Yin H, Xuanhui Q, Liu Z-K (2019) High-throughput thermodynamic calculations of phase equilibria in solidified 6016 al-alloys. Comput Mater Sci 167:19–24
Yang S, Jun L, Xing F, Zhang L, Zhong Yu (2020) Revisit the vec rule in high entropy alloys (heas) with high-throughput calphad approach and its applications for material design-a case study with al-co-cr-fe-ni system. Acta Mater 192:11–19
Inselberg A (2009) Parallel coordinates: visual multidimensional geometry and its applications, vol 20. Springer Science and Business Media, Berlin
Steed CA , Swan JE, Jankun-Kelly TJ, Fitzpatrick PJ (2009) Guided analysis of hurricane trends using statistical processes integrated with interactive parallel coordinates. In 2009 IEEE symposium on visual analytics science and technology, pp 19–26. IEEE
Steed CA, Ricciuto DM, Shipman G, Smith B, Thornton PE, Wang D, Shi X, Williams DN (2013) Big data visual analytics for exploratory earth system simulation analysis. Comput Geosci 61:71–82
Rickman JM (2018) Data analytics and parallel-coordinate materials property charts. npj Comput Mater 4(1):1–8
Rickman JM, Lookman T, Kalinin SV (2019) Materials informatics: from the atomic-level to the continuum. Acta Mater 168:473–510
Dehoff RR, Kirka MM, Ellis E, Paquit VC, Nandwana P, Plotkowski AJ (2019) Electron beam melting technology improvements. Technical report, Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Kamath C, El-Dasher B, Gallegos GF, King WE, Sisto A (2014) Density of additively-manufactured, 316L SS parts using laser powder-bed fusion at powers up to 400 W. Int J Adv Manuf Technol 74(1):65–78
German RM (1997) Supersolidus liquid-phase sintering of prealloyed powders. Metall Mater Trans A Phys Metall Mater Sci 28(7):1553–1567
German RM (2003) An update on the theory of supersolidus liquid phase sintering. Proc Sinter
Liu J, German RM (1999) Densification and shape distortion in liquid-phase sintering. Metall Mater Trans A 30(12):3211–3217
Liu ZY, Loh NH, Khor KA, Tor SB (2000) Sintering of injection molded M2 high-speed steel. Mater Lett 45(1):32–38
Levasseur D, Brochu M (2016) Supersolidus liquid phase sintering modeling of inconel 718 superalloy. Metall Mater Trans A 47(2):869–876
Nandwana P, Kannan R, Siddel D (2020) Microstructure evolution during binder jet additive manufacturing of H13 tool steel. Addit Manuf 36:101534
Muterlle PV, Zendron M, Perina M, Molinari A (2009) Influence of delta ferrite on mechanical properties of stainless steel produced by MIM. 20th international congress of mechanical engineering, pp 1–6
Frykholm R, Takeda Y, Andersson BG, Carlstrom R (2016) Solid state sintered 3-D printing component by using inkjet (binder) method. J Jpn Soc Powder Powder Metall 63(7):421–426
Luo C, Lai Z, Zhang Y (2020) Improvement of mechanical properties of dissimilar spot-welded joints of additively manufactured stainless steels. J Manuf Process 54:210–220
Mirzababaei S, Pasebani S (2019) A review on binder jet additive manufacturing of 316L stainless steel. J Manuf Mater Process 3(3):82
Do T, Bauder TJ, Suen H, Rego K, Yeom J, Kwon P (2018) Additively manufactured full-density stainless steel 316L with binder jet printing. In ASME 2018 13th international manufacturing science and engineering conference, MSEC 2018, vol 1. American Society of Mechanical Engineers (ASME)
Schäfer L (1998) Influence of delta ferrite and dendritic carbides on the impact and tensile properties of a martensitic chromium steel. J Nucl Mater 258–263(PART 2 B):1336–1339
ASTM 240A. ASTM A 240/A 240M - 04a (2004) Standard specification for chromium and chromium-nickel stainless steel plate, sheet, and strip for pressure vessels and for general applications 1. ASTM, i
Schaeffler AL (1949) Constitution diagram for stainless steel weld metal. Metal Prog 56(11):680-680B
DeLong WT (1974) Ferrite in austenitic stainless steel weld metal. Weld J 53(7):273–286
Kotecki DJ, Siewert TA (1992) Wrc-1992 constitution diagram for stainless steel weld metals: a modification of the wrc-1988 diagram. Weld J 71(5):171–178
Plotly Technologies Inc. Collaborative data science, 2015
Saboori A, Aversa A, Marchese G, Biamino S, Lombardi M, Fino P (2019) Application of directed energy deposition-based additive manufacturing in repair. Appl Sci 9(16):3316
Li S, Xu W, Xiao G, Chen B (2018) Weld formation in laser hot-wire welding of 7075 aluminum alloy. Metals 8(11):909
Lin C, Chunming W, Lingda X, Xiong Z, Gaoyang M (2020) Microstructural, porosity and mechanical properties of lap joint laser welding for 5182 and 6061 dissimilar aluminum alloys under different place configurations. Mater Des 191:108625
Gan Z, Gang Yu, He X, Li S (2017) Surface-active element transport and its effect on liquid metal flow in laser-assisted additive manufacturing. Int Commun Heat Mass Transfer 86:206–214
The Aluminum Association (2018) International alloy designations and chemical composition limits for wrought aluminum and wrought aluminum alloys. Report, 2018
Kou S (2015) A criterion for cracking during solidification. Acta Mater 88:366–374
Bocklund B, Bobbio LD, Otis RA, Beese AM, Liu Z-K (2020) Experimental validation of Scheil-Gulliver simulations for gradient path planning in additively manufactured functionally graded materials. Materialia 11:100689
Rosenthal D (1941) Mathematical theory of heat distribution during welding and cutting. Weld J 20:220–234
Rappaz M, Drezet J-M, Gremaud M (1999) A new hot-tearing criterion. Metall and Mater Trans A 30(2):449–455
Waskom ML (2021) Seaborn: statistical data visualization. J Open Source Softw 6(60):3021
Hunter JD (2007) Matplotlib: A 2D graphics environment. Comput Sci Eng 9(3):90–95
Berube P (2018) Weldability of aluminum alloys, vol 2A, Aluminum Science and Technology
Dausinger F (2000) Laser welding of aluminum alloys: from fundamental investigation to industrial application. In: High-power lasers in manufacturing. vol 3888, pp 367–379. International Society for Optics and Photonics
Lobanov L (1997) Welded structures. Taylor and Francis, Oxfordshire
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Research was performed at the U.S. Department of Energy’s Manufacturing Demonstration Facility, located at Oak Ridge National Laboratory. Research was co-sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, Vehicle Technologies Office. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy.
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Kannan, R., Knapp, G.L., Nandwana, P. et al. Data Mining and Visualization of High-Dimensional ICME Data for Additive Manufacturing. Integr Mater Manuf Innov 11, 57–70 (2022). https://doi.org/10.1007/s40192-021-00243-2
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DOI: https://doi.org/10.1007/s40192-021-00243-2