OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations
Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining...
Ausführliche Beschreibung
Autor*in: |
Prince Henry Serrao [verfasserIn] Stefan Sandfeld [verfasserIn] Aruna Prakash [verfasserIn] |
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E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2021 |
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Übergeordnetes Werk: |
In: SoftwareX - Elsevier, 2016, 15(2021), Seite 100708- |
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Übergeordnetes Werk: |
volume:15 ; year:2021 ; pages:100708- |
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DOI / URN: |
10.1016/j.softx.2021.100708 |
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Katalog-ID: |
DOAJ001548360 |
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520 | |a Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. | ||
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10.1016/j.softx.2021.100708 doi (DE-627)DOAJ001548360 (DE-599)DOAJfe3a52c8237046208c2ac51ce5f354cc DE-627 ger DE-627 rakwb eng QA76.75-76.765 Prince Henry Serrao verfasserin aut OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. Optimized microstructure Crystal plasticity Custom cost function Atomistic simulation Finite element meshing Finite element method (FEM) Computer software Stefan Sandfeld verfasserin aut Aruna Prakash verfasserin aut In SoftwareX Elsevier, 2016 15(2021), Seite 100708- (DE-627)824451805 (DE-600)2819369-6 23527110 nnns volume:15 year:2021 pages:100708- https://doi.org/10.1016/j.softx.2021.100708 kostenfrei https://doaj.org/article/fe3a52c8237046208c2ac51ce5f354cc kostenfrei http://www.sciencedirect.com/science/article/pii/S2352711021000534 kostenfrei https://doaj.org/toc/2352-7110 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 15 2021 100708- |
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10.1016/j.softx.2021.100708 doi (DE-627)DOAJ001548360 (DE-599)DOAJfe3a52c8237046208c2ac51ce5f354cc DE-627 ger DE-627 rakwb eng QA76.75-76.765 Prince Henry Serrao verfasserin aut OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. Optimized microstructure Crystal plasticity Custom cost function Atomistic simulation Finite element meshing Finite element method (FEM) Computer software Stefan Sandfeld verfasserin aut Aruna Prakash verfasserin aut In SoftwareX Elsevier, 2016 15(2021), Seite 100708- (DE-627)824451805 (DE-600)2819369-6 23527110 nnns volume:15 year:2021 pages:100708- https://doi.org/10.1016/j.softx.2021.100708 kostenfrei https://doaj.org/article/fe3a52c8237046208c2ac51ce5f354cc kostenfrei http://www.sciencedirect.com/science/article/pii/S2352711021000534 kostenfrei https://doaj.org/toc/2352-7110 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 15 2021 100708- |
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10.1016/j.softx.2021.100708 doi (DE-627)DOAJ001548360 (DE-599)DOAJfe3a52c8237046208c2ac51ce5f354cc DE-627 ger DE-627 rakwb eng QA76.75-76.765 Prince Henry Serrao verfasserin aut OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. Optimized microstructure Crystal plasticity Custom cost function Atomistic simulation Finite element meshing Finite element method (FEM) Computer software Stefan Sandfeld verfasserin aut Aruna Prakash verfasserin aut In SoftwareX Elsevier, 2016 15(2021), Seite 100708- (DE-627)824451805 (DE-600)2819369-6 23527110 nnns volume:15 year:2021 pages:100708- https://doi.org/10.1016/j.softx.2021.100708 kostenfrei https://doaj.org/article/fe3a52c8237046208c2ac51ce5f354cc kostenfrei http://www.sciencedirect.com/science/article/pii/S2352711021000534 kostenfrei https://doaj.org/toc/2352-7110 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 15 2021 100708- |
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10.1016/j.softx.2021.100708 doi (DE-627)DOAJ001548360 (DE-599)DOAJfe3a52c8237046208c2ac51ce5f354cc DE-627 ger DE-627 rakwb eng QA76.75-76.765 Prince Henry Serrao verfasserin aut OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. Optimized microstructure Crystal plasticity Custom cost function Atomistic simulation Finite element meshing Finite element method (FEM) Computer software Stefan Sandfeld verfasserin aut Aruna Prakash verfasserin aut In SoftwareX Elsevier, 2016 15(2021), Seite 100708- (DE-627)824451805 (DE-600)2819369-6 23527110 nnns volume:15 year:2021 pages:100708- https://doi.org/10.1016/j.softx.2021.100708 kostenfrei https://doaj.org/article/fe3a52c8237046208c2ac51ce5f354cc kostenfrei http://www.sciencedirect.com/science/article/pii/S2352711021000534 kostenfrei https://doaj.org/toc/2352-7110 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 15 2021 100708- |
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Prince Henry Serrao |
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Prince Henry Serrao misc QA76.75-76.765 misc Optimized microstructure misc Crystal plasticity misc Custom cost function misc Atomistic simulation misc Finite element meshing misc Finite element method (FEM) misc Computer software OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations |
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QA76.75-76.765 OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations Optimized microstructure Crystal plasticity Custom cost function Atomistic simulation Finite element meshing Finite element method (FEM) |
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OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations |
abstract |
Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. |
abstractGer |
Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. |
abstract_unstemmed |
Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known Voronoi tessellation technique is regularly used for obtaining microstructures. Standard Voronoi tessellations, however, exhibit statistics that are generally far removed from those in real microstructures. Nevertheless, such tessellations can be optimized to obtain certain key features and statistics seen in real microstructures. In this work, we develop the open-source software package OptiMic that enables the generation of optimized microstructures for both finite element as well as atomistic simulations. OptiMic allows for both monodispersive grains as well as irregular grains obtained currently via Voronoi tessellations. These initial microstructures can then be optimized to reflect desired statistical features. A key feature of the tool is that it gives the user extensive control on the optimization process via customizable cost functions. The software currently performs tessellations with the Voronoi method and can be easily extended to include other methods like grain-growth, phase-field etc. |
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title_short |
OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations |
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|
score |
7.400198 |