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+
+
+
+ 20241017215217-535eaf92fb4d11a9faa7c95de88fb2f4dce71b83
+ 20241017215217
+
+ JOSS Admin
+ admin@theoj.org
+
+ The Open Journal
+
+
+
+
+ Journal of Open Source Software
+ JOSS
+ 2475-9066
+
+ 10.21105/joss
+ https://joss.theoj.org
+
+
+
+
+ 10
+ 2024
+
+
+ 9
+
+ 102
+
+
+
+ Adamantine 1.0: A Thermomechanical Simulator for
+Additive Manufacturing
+
+
+
+ Bruno
+ Turcksin
+ https://orcid.org/0000-0001-5954-6313
+
+
+ Stephen
+ DeWitt
+ https://orcid.org/0000-0002-9550-293X
+
+
+
+ 10
+ 17
+ 2024
+
+
+ 7017
+
+
+ 10.21105/joss.07017
+
+
+ http://creativecommons.org/licenses/by/4.0/
+ http://creativecommons.org/licenses/by/4.0/
+ http://creativecommons.org/licenses/by/4.0/
+
+
+
+ Software archive
+ 10.5281/zenodo.13869657
+
+
+ GitHub review issue
+ https://github.com/openjournals/joss-reviews/issues/7017
+
+
+
+ 10.21105/joss.07017
+ https://joss.theoj.org/papers/10.21105/joss.07017
+
+
+ https://joss.theoj.org/papers/10.21105/joss.07017.pdf
+
+
+
+
+
+ The deal.II library, version
+9.5
+ Arndt
+ Journal of Numerical
+Mathematics
+ 3
+ 31
+ 10.1515/jnma-2023-0089
+ 2023
+ Arndt, D., Bangerth, W., Bergbauer,
+M., Feder, M., Fehling, M., Heinz, J., Heister, T., Heltai, L.,
+Kronbichler, M., Maier, M., Munch, P., Pelteret, J.-P., Turcksin, B.,
+Wells, D., & Zampini, S. (2023). The deal.II library, version 9.5.
+Journal of Numerical Mathematics, 31(3), 231–246.
+https://doi.org/10.1515/jnma-2023-0089
+
+
+ p4est: Scalable algorithms for parallel
+adaptive mesh refinement on forests of octrees
+ Burstedde
+ SIAM Journal on Scientific
+Computing
+ 3
+ 33
+ 10.1137/100791634
+ 2011
+ Burstedde, C., Wilcox, L. C., &
+Ghattas, O. (2011). p4est: Scalable algorithms for parallel adaptive
+mesh refinement on forests of octrees. SIAM Journal on Scientific
+Computing, 33(3), 1103–1133.
+https://doi.org/10.1137/100791634
+
+
+ ArborX: A performance portable geometric
+search library
+ Lebrun-Grandié
+ ACM Trans. Math. Softw.
+ 1
+ 47
+ 10.1145/3412558
+ 0098-3500
+ 2020
+ Lebrun-Grandié, D., Prokopenko, A.,
+Turcksin, B., & Slattery, S. R. (2020). ArborX: A performance
+portable geometric search library. ACM Trans. Math. Softw., 47(1).
+https://doi.org/10.1145/3412558
+
+
+ The Trilinos Project Website
+ The Trilinos Project Team
+ 2020
+ The Trilinos Project Team. (2020).
+The Trilinos Project Website.
+
+
+ Kokkos 3: Programming model extensions for
+the exascale era
+ Trott
+ IEEE Transactions on Parallel and Distributed
+Systems
+ 4
+ 33
+ 10.1109/TPDS.2021.3097283
+ 2022
+ Trott, C. R., Lebrun-Grandié, D.,
+Arndt, D., Ciesko, J., Dang, V., Ellingwood, N., Gayatri, R., Harvey,
+E., Hollman, D. S., Ibanez, D., Liber, N., Madsen, J., Miles, J.,
+Poliakoff, D., Powell, A., Rajamanickam, S., Simberg, M., Sunderland,
+D., Turcksin, B., & Wilke, J. (2022). Kokkos 3: Programming model
+extensions for the exascale era. IEEE Transactions on Parallel and
+Distributed Systems, 33(4), 805–817.
+https://doi.org/10.1109/TPDS.2021.3097283
+
+
+ Data assimilation
+ Asch
+ 10.1137/1.9781611974546
+ 2016
+ Asch, M., Bocquet, M., & Nodet,
+M. (2016). Data assimilation. Society for Industrial and Applied
+Mathematics.
+https://doi.org/10.1137/1.9781611974546
+
+
+ A generic interface for parallel cell-based
+finite element operator application
+ Kronbichler
+ Computers & Fluids
+ 63
+ 10.1016/j.compfluid.2012.04.012
+ 2012
+ Kronbichler, M., & Kormann, K.
+(2012). A generic interface for parallel cell-based finite element
+operator application. Computers & Fluids, 63, 135–147.
+https://doi.org/10.1016/j.compfluid.2012.04.012
+
+
+ Plasticity: Modeling &
+computation
+ Borja
+ 10.1007/978-3-642-38547-6
+ 2013
+ Borja, R. I. (2013). Plasticity:
+Modeling & computation. Springer Berlin, Heidelberg.
+https://doi.org/10.1007/978-3-642-38547-6
+
+
+ Classical and computational solid
+mechanics
+ Fung
+ 2001
+ Fung, Y., & Tong, P. (2001).
+Classical and computational solid mechanics. World
+Scientific.
+
+
+ AdditiveFOAM: Release 1.0
+ Coleman
+ 10.5281/zenodo.8034098
+ 2023
+ Coleman, J., Kincaid, K., Knapp, G.
+L., Stump, B., & Plotkowski, A. J. (2023). AdditiveFOAM: Release 1.0
+(Version 1.0.0). Zenodo.
+https://doi.org/10.5281/zenodo.8034098
+
+
+ Abaqus documentation
+ Dassault Systèmes Simulia Corp.
+ 2024
+ Dassault Systèmes Simulia Corp.
+(2024). Abaqus documentation. Dassault Systèmes.
+https://www.3ds.com/products-services/simulia/products/abaqus/
+
+
+ ANSYS documentation
+ ANSYS Inc.
+ 2024
+ ANSYS Inc. (2024). ANSYS
+documentation. ANSYS Inc.
+https://www.ansys.com/products/structures/ansys-mechanical
+
+
+ Gmsh: A 3-d finite element mesh generator
+with built-in pre- and post-processing facilities
+ Geuzaine
+ International Journal for Numerical Methods
+in Engineering
+ 11
+ 79
+ 10.1002/nme.2579
+ 2009
+ Geuzaine, C., & Remacle, J.-F.
+(2009). Gmsh: A 3-d finite element mesh generator with built-in pre- and
+post-processing facilities. International Journal for Numerical Methods
+in Engineering, 79(11), 1309–1331.
+https://doi.org/10.1002/nme.2579
+
+
+ COMSOL multiphysics v6.2
+ COMSOL AB
+ 2024
+ COMSOL AB. (2024). COMSOL
+multiphysics v6.2. https://www.comsol.com
+
+
+ SMESH documentation
+ 2024
+ SMESH documentation. (2024).
+https://docs.salome-platform.org/latest/gui/SMESH/index.html
+
+
+ ExodusII finite element data model, version
+00
+ 2005
+ ExodusII finite element data model,
+version 00. (2005).
+https://www.osti.gov/biblio/1230926
+
+
+ Tecplot documentation
+ Tecplot Inc.
+ 2024
+ Tecplot Inc. (2024). Tecplot
+documentation.
+https://tecplot.azureedge.net/products/360/current/360-users-manual.pdf
+
+
+ The asset-importer-lib
+documentation
+ 2024
+ The asset-importer-lib documentation.
+(2024).
+https://assimp-docs.readthedocs.io/en/latest/
+
+
+ The visualization toolkit (4th
+ed.)
+ Schroeder
+ 978-1-930934-19-1
+ 2006
+ Schroeder, W., Martin, K., &
+Lorensen, B. (2006). The visualization toolkit (4th ed.). Kitware.
+ISBN: 978-1-930934-19-1
+
+
+ Calibrating uncertain parameters in melt pool
+simulations of additive manufacturing
+ Knapp
+ Computational Materials
+Science
+ 218
+ 10.1016/j.commatsci.2022.111904
+ 0927-0256
+ 2023
+ Knapp, G. L., Coleman, J., Rolchigo,
+M., Stoyanov, M., & Plotkowski, A. (2023). Calibrating uncertain
+parameters in melt pool simulations of additive manufacturing.
+Computational Materials Science, 218, 111904.
+https://doi.org/10.1016/j.commatsci.2022.111904
+
+
+ Metal additive-manufacturing process and
+residual stress modeling
+ Megahed
+ Integrating Materials and Manufacturing
+Innovation
+ 1
+ 5
+ 10.1186/s40192-016-0047-2
+ 2193-9772
+ 2016
+ Megahed, M., Mindt, H.-W., N’Dri, N.,
+Duan, H., & Desmaison, O. (2016). Metal additive-manufacturing
+process and residual stress modeling. Integrating Materials and
+Manufacturing Innovation, 5(1), 61–93.
+https://doi.org/10.1186/s40192-016-0047-2
+
+
+ A new finite element model for welding heat
+sources
+ Goldak
+ Metallurgical Transactions B
+ 2
+ 15
+ 10.1007/BF02667333
+ 2379-0229
+ 1984
+ Goldak, J., Chakravarti, A., &
+Bibby, M. (1984). A new finite element model for welding heat sources.
+Metallurgical Transactions B, 15(2), 299–305.
+https://doi.org/10.1007/BF02667333
+
+
+ Application of finite element, phase-field,
+and CALPHAD-based methods to additive manufacturing of ni-based
+superalloys
+ Keller
+ Acta Materialia
+ 139
+ 10.1016/j.actamat.2017.05.003
+ 1359-6454
+ 2017
+ Keller, T., Lindwall, G., Ghosh, S.,
+Ma, L., Lane, B. M., Zhang, F., Kattner, U. R., Lass, E. A., Heigel, J.
+C., Idell, Y., Williams, M. E., Allen, A. J., Guyer, J. E., &
+Levine, L. E. (2017). Application of finite element, phase-field, and
+CALPHAD-based methods to additive manufacturing of ni-based superalloys.
+Acta Materialia, 139, 244–253.
+https://doi.org/10.1016/j.actamat.2017.05.003
+
+
+
+
+
+
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+
+
+
+
+
+
+
+Journal of Open Source Software
+JOSS
+
+2475-9066
+
+Open Journals
+
+
+
+7017
+10.21105/joss.07017
+
+Adamantine 1.0: A Thermomechanical Simulator for Additive
+Manufacturing
+
+
+
+https://orcid.org/0000-0001-5954-6313
+
+Turcksin
+Bruno
+
+
+*
+
+
+https://orcid.org/0000-0002-9550-293X
+
+DeWitt
+Stephen
+
+
+
+
+
+Oak Ridge National Laboratory, Oak Ridge, TN,
+USA
+
+
+
+
+* E-mail:
+
+
+1
+7
+2024
+
+9
+102
+7017
+
+Authors of papers retain copyright and release the
+work under a Creative Commons Attribution 4.0 International License (CC
+BY 4.0)
+2022
+The article authors
+
+Authors of papers retain copyright and release the work under
+a Creative Commons Attribution 4.0 International License (CC BY
+4.0)
+
+
+
+C++
+additive manufacturing
+data assimilation
+
+
+
+
+
+ Summary
+
Adamantine is a thermomechanical simulation
+ code that is written in C++ and built on top of deal.II
+ (Arndt
+ et al., 2023), p4est
+ (Burstedde
+ et al., 2011), ArborX
+ (Lebrun-Grandié
+ et al., 2020), Trilinos
+ (The
+ Trilinos Project Team, 2020), and Kokkos
+ (Trott
+ et al., 2022). Adamantine was developed
+ with additive manufacturing in mind and it is particularly well
+ adapted to simulate fused filament fabrication, directed energy
+ deposition, and powder bed fusion. Adamantine
+ employs the finite element method with adaptive mesh refinement to
+ solve a nonlinear anisotropic heat equation, enabling support for
+ various additive manufacturing processes. It can also perform
+ elastoplastic and thermoelastoplastic simulations. It can handle
+ materials in three distinct phases (solid, liquid, and powder) to
+ accurately reflect the physical state during different stages of the
+ manufacturing process. To enhance simulation accuracy,
+ adamantine incorporates data assimilation
+ techniques
+ (Asch
+ et al., 2016). This allows it to integrate experimental data
+ from sensors like thermocouples and infrared (IR) cameras. This
+ combined approach helps account for errors arising from input
+ parameters, material properties, models, and numerical calculations,
+ leading to more realistic simulations that reflect what occurs in a
+ particular print.
+
+
+ Statement of Need
+
Manufacturing “born-qualified” components, i.e., parts ready for
+ critical applications straight from the printer, requires a new
+ approach to additive manufacturing (AM). This vision demands not only
+ precise simulations for planning the build but also real-time
+ adjustments throughout the process to obtain the desired
+ thermomechanical evolution of the part. Currently, setting AM process
+ parameters is an expert-driven, often trial-and-error process.
+ Material changes and geometry complexities can lead to unpredictable
+ adjustments in parameters, making a purely empirical approach slow and
+ expensive. We can overcome this by using advanced simulations for both
+ planning and adaptive control.
+
Adamantine, a thermomechanical simulation
+ tool, offers a solution to process parameter planning and adjustment
+ in AM. During the planning phase, its capabilities can be leveraged to
+ predict the thermomechanical state and optimize process parameters for
+ the desired outcome. For adaptive control,
+ adamantine utilizes data from IR cameras and
+ thermocouples. This data is integrated using the Ensemble Kalman
+ Filter (EnKF) method, allowing the simulation to constantly adapt and
+ reflect the actual build process.
+
With a continuously refined simulation,
+ adamantine can predict the final
+ thermomechanical state of the object with greater accuracy. This
+ simulation-enhanced monitoring capability enables a human operator or
+ an adaptive control algorithm to adjust to the build parameters
+ mid-print, if needed, to ensure that printed parts conform to the
+ necessary tolerances.
+
While other open-source software like AdditiveFOAM
+ (Coleman
+ et al., 2023) excels at heat and mass transfer simulations in
+ additive manufacturing, and commercial options like Abaqus
+ (Dassault
+ Systèmes Simulia Corp., 2024) and Ansys
+ (ANSYS
+ Inc., 2024) offer comprehensive thermomechanical capabilities,
+ adamantine stands out for its unique ability to
+ incorporate real-world data through data assimilation. This feature
+ allows for potentially more accurate simulations, leading to better
+ process optimization and final part quality.
+
+
+ Simulated Physics
+
+ Thermal simulation
+
Adamantine solves an anisotropic version
+ of standard continuum heat transfer model used in additive
+ manufacturing simulations
+ (Keller
+ et al., 2017;
+ Megahed
+ et al., 2016). The model includes the change of phases
+ between powder, liquid, and solid and accounts for latent heat
+ release for melting/solidification phase transformations. It assumes
+ the presence of a “mushy” zone, i.e., the liquidus and the solidus
+ are different, as is generally the case for alloys. The heat input
+ by the laser, electron beam, electric-arc, or other process-specific
+ heat source is introduced using a volumetric source term
+ (Goldak
+ et al., 1984;
+ Knapp
+ et al., 2023). Adiabatic, convective, and radiative boundary
+ conditions are implemented, with the option to combine convective
+ and radiative boundary conditions.
+
+
+ Mechanical simulation
+
Adamantine can perform elastoplastic
+ simulations. The plastic model is the linear combination of the
+ isotropic and kinematic hardening described in Borja
+ (2013).
+ This allows us to model both the change in yield stress and the
+ Bauschinger effect.
+
+
+ Thermomechanical simulation
+
Thermomechanical simulations in adamantine
+ are performed with one-way coupling from the temperature evolution
+ to the mechanical evolution. We neglect the effect of deformation on
+ the thermal simulation. An extra term in the mechanical simulation
+ accounts for the eigenstrain associated with by thermal expansion of
+ the material
+ (Fung
+ & Tong, 2001;
+ Megahed
+ et al., 2016).
+
+
+
+ Data Assimilation
+
Data assimilation “is the approximation of a true state of some
+ physical system at a given time by combining time-distributed
+ observations with a dynamic model in an optimal way”
+ (Asch
+ et al., 2016). Adamantine leverages this
+ technique to enhance the accuracy of simulations during and after
+ prints with in-situ characterization. It also ties the simulation
+ results to the particular events (e.g. resulting for stochastic
+ processes) for a specific print.
+
We have implemented a data assimilation algorithm called the
+ Ensemble Kalman Filter
+ (Asch
+ et al., 2016). This statistical technique incorporates
+ experimental observations into a simulation to provide the best
+ estimate (in the Bayesian sense) of the state of the system that
+ reflects uncertainties from both data sources. EnKF requires to
+ perform an ensemble of simulations with slightly different input model
+ parameters and/or initial conditions. The EnKF calculation and the
+ coordination of simulations of ensemble members are done from inside
+ adamantine.
+
+
+ Algorithmic Choices
+
+ Time integration
+
Adamantine includes several options for
+ time integration methods that it inherits from the deal.II library
+ (Arndt
+ et al., 2023). These are: forward Euler, 3rd order explicit
+ Runge-Kutta, 4th order explicit Runge-Kutta, backward Euler,
+ implicit midpoint, Crank-Nicolson, and singly diagonally implicit
+ Runge-Kutta.
+
+
+ Matrix-free finite element formulation
+
Adamantine uses a variable-order finite
+ element spatial discretization with a matrix-free approach
+ (Kronbichler
+ & Kormann, 2012). This approach calculates the action of
+ an operator directly, rather than explicitly storing the full
+ (sparse) system matrix. This matrix-free approach significantly
+ reduces computational cost, especially for higher-degree finite
+ elements.
+
+
+ MPI support
+
While mechanical and thermomechanical simulations are limited to
+ serial execution, thermal and EnKF ensemble simulations can use MPI.
+ Thermal simulations can be performed using an arbitrary number of
+ processors. For EnKF ensemble simulations, the partitioning scheme
+ works as follows:
+
+
+
If the number of processors (Nproc) is less than or equal to
+ the number of EnKF ensemble members (N),
+ adamantine distributes the simulations
+ evenly across the processors. All processors except the first
+ will handle the same number of simulations. The first processor
+ might take on a larger workload if a perfect split is not
+ possible
+
+
+
Adamantine can leverage more
+ processors than there are simulations, but only if Nproc is a
+ multiple of N. This ensures that all the simulations are
+ partitioned in the same way.
+
+
+
MPI support for mechanical and thermomechanical simulations are a
+ subject of ongoing work.
+
+
+ GPU support
+
Adamantine includes partial support for
+ GPU-accelerated calculations through the use of the Kokkos library.
+ The evaluation of the thermal operator can be performed on the GPU.
+ The heat source is computed on the CPU. The mechanical simulation is
+ CPU only. Performing the entire computation on the GPU is the
+ subject of ongoing work.
+
+
+
+ Mesh
+
Adamantine uses a purely hexahedral mesh. It
+ has limited internal capabilities to generate meshes. For complex
+ geometries, adamantine can load meshes created
+ by mesh generators. The following formats are supported:
+ unv format from the SALOME mesh generator
+ (SMESH)
+ (SMESH
+ Documentation, 2024), UCD,
+ VTK
+ (Schroeder
+ et al., 2006), Abaqus
+ (Dassault
+ Systèmes Simulia Corp., 2024) file format, DB mesh,
+ msh file from Gmsh
+ (Geuzaine
+ & Remacle, 2009), mphtxt format from
+ COMSOL
+ (COMSOL
+ AB, 2024), Tecplot
+ (Tecplot
+ Inc., 2024), assimp
+ (The
+ Asset-Importer-Lib Documentation, 2024), and ExodusII
+ (ExodusII
+ Finite Element Data Model, Version 00, 2005). The
+ generated mesh should be conformal. During the simulation,
+ adamantine can adaptively refine the mesh near
+ the heat source using the forest of octrees approach
+ (Arndt
+ et al., 2023;
+ Burstedde
+ et al., 2011), where each element in the initial mesh can be
+ refined as an octree.
+
+
+ Additional Information
+
An in-depth discussion of the governing equations and examples
+ showcasing the capabilities ofadamantine can be
+ found at https://adamantine-sim.github.io/adamantine
+
+
+ Acknowledgments
+
This manuscript has been authored by UT-Battelle, LLC, under
+ contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The
+ US government retains and the publisher, by accepting the article for
+ publication, acknowledges that the US government retains a
+ nonexclusive, paid-up, irrevocable, worldwide license to publish or
+ reproduce the published form of this manuscript, or allow others to do
+ so, for US government purposes. DOE will provide public access to
+ these results of federally sponsored research in accordance with the
+ DOE Public Access Plan
+ (https://www.energy.gov/doe-public-access-plan).
+
This research is sponsored by the INTERSECT Initiative and the SEED
+ Program as part of the Laboratory Directed Research and Development
+ Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC,
+ for the US Department of Energy under contract DE-AC05-00OR22725.
+
This research used resources of the Compute and Data Environment
+ for Science (CADES) at the Oak Ridge National Laboratory, which is
+ supported by the Office of Science of the U.S. Department of Energy
+ under Contract No. DE-AC05-00OR22725.