Data-constrained modelling

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Data-constrained modelling (DCM) refers to a research and development methodology where the sample-specific data and information and a theoretical model are tightly integrated for quantitative modeling of a physical system .[1] The DCM methodology has been developed by Dr Sam Yang Et Al [2] at CSIRO since 2007 in relation to 3D characterization of material compositional microstructures and microstructure-based properties, [3] and has been implemented as DCM software. [4] The DCM software can also be used for 3D modelling of material properties, visualization of 3D volumetric data, converting between 3D data formats and export as Web3D/X3D format for online visualization. In contrast to the conventional image segmentation technique to derive microstructures from X-ray CT (computed tomography) images which imposes an arbitrary length-scale cut-off at the image pixel size scale, DCM incorporates fine structures below X-ray CT image resolution as voxel compositional partial volumes. Consequently, the fine length-scale information below image pixel size is preserved. [5] Using DCM, consistent 3D compositional microstructures are obtained with different X-ray CT imaging resolution. [6]

DCM has been successfully used in 3D microstructure characterization and analysis of aerospace paint primers, [7] conventional and unconventional hydrocarbon reservoir rocks, [8] coal, [9] and other materials. [10]

A number of DCM characterized material compositional microstructure data sets are available online. [11] Such data sets make it possible for quantitative modeling of microstructure-based material properties, such as fluid transport, [12] and electric properties. [13]

For accurate characterization of microstructures, DCM would require multi-energy and quantitative X-ray CT. Care should be taken to minimize the factors which could influence the quantitative nature of the X-ray imaging. [14]

Additional functionalities can be added to the DCM software using various plug-ins. [15]


  1. ^
  2. ^ ResearcherID:
  3. ^ Y. S. Yang, A. Tulloh, I. Cole, S. Furman and A. Hughes, A data-constrained computational model for morphology structures. J. Aust. Ceram. Soc. 43 (2007) 159-164
  4. ^ Sam Yang, Clement Chu, Andrew Tulloh, John Taylor, DCM - A Software Platform for Advanced 3D Materials Modelling, Characterisation and Visualization. CSIRO Data Access Portal. PID:
  5. ^ Y.S. Yang, A data-constrained non-linear optimisation approach to a data-constrained model for compositional microstructure prediction. In Lecture Notes in Information Technology 15 (ISBN 978-1-61275-015-6, ISSN 2070-1918, Electronically available at, 2012, Information Engineering Research Institute) pp198-205
    • Sam Yang, John Taylor, Steve Wilkins, Integrate model and data to visualize microstructures of materials non-destructively, Conference on Computational Physics – CCP2012 (2012) (14–18 October 2012, Kobe, Japan)
    • Y S Yang, A Tulloh, F Chen, K Y Liu, B Clennell, J Taylor, Data-constrained characterization of sandstone microstructures with multi-energy X-ray CT. J. Phys – Conference Series 463 (2013) 012048 doi:10.1088/1742-6596/463/1/012048.
    • Sam Yang and John Taylor, SPIE Newsroom (29 Sept 2010), doi:10.1117/2.1201009.003099, URL:, Model and data work together to reveal microscopic structures of materials
  6. ^ Haipeng Wang, Yushuang Yang, Jianli Yang, Yihang Nie, Jing Jia, and Yudan Wang, Evaluation of Multiple-Scale 3D Characterization for Coal Physical Structure with DCM Method and Synchrotron X-Ray CT. The Scientific World Journal 2015 (2015) Article ID 414262. doi:10.1155/2015/414262
  7. ^ Corrosion inhibitor paint primer applications:
    • Sam Yang, Dachao Gao, Tim Muster, Andrew Tulloh, Scott Furman, Sherry Mayo, Adrian Trinchi, Microstructure of a paint primer - a data-constrained modeling analysis. Materials Science Forum 654-656 (2010) 1686-1689
    • A.E. Hughes, S. Mayo, Y. S. Yang, T. Markley, S. V. Smith, S. Sellaiyan, A. Uedono, S.G. Hardin and T.H. Muster, Using X-ray Tomography, PALS and Raman Spectroscopy to Characterization Inhibitors in Epoxy Coatings. Prog. Org. Coat. (2012) 74 pp726-733. doi: 10.1016/j.porgcoat.2011.06.023
    • Sheridan C. Mayo, Andrew M. Tulloh, Adrian Trinchi, and Sam Y.S. Yang, Data-Constrained Microstructure Characterization with Multispectrum X-Ray Micro-CT. Microscopy & Microanalysis (2012) 18 pp 524–530. doi:10.1017/S1431927612000323
    • A. E. Hughes, A. Trinchi, F. F. Chen, Y. S. Yang, I.S. Cole, S. Sellaiyan, J. Carr, P. D. Lee, G.E. Thompson, T. Q. Xiao, Revelation of intertwining organic and inorganic fractal structures in polymer coatings. Advanced Materials 26 (9 July 2014) pp4504-4508. doi:10.1002/adma.201400561
    • A. E. Hughes, A. Trinchi, F. F. Chen, Y. S. Yang, I.S. Cole, S. Sellaiyan, J. Carr, P. D. Lee, G.E. Thompson, T. Q. Xiao, The application of multiscale quasi 4D CT to the study of SrCrO4distributions and the development of porous networks inepoxy-based primer coatings. Progress in Organic Coatings (2014) 77 1946-1956. DOI:10.1016/j.porgcoat.2014.07.001
    • Sam Yang, Scott Furman and Andrew Tulloh, A data-constrained 3D model for material compositional microstructures. In Advanced Materials Research Vol 32: Frontiers in Materials Science & Technology, Eds John Bell, Cheng Yan, Lin Ye and Liangchi Zhang (Trans tech Publications, 2008) 267 - 270
    • Y. S. Yang, H. P. Wang, J. R. Gao, A data-constrained modelling approach to materials microstructure characterization. Journal of Shanxi University (2012) Vol 35 No. 2 pp 248-254
    • Anthony E. Hughes, Y. Sam Yang Simon G. Hardin, Andrew Tulloh, Yudan Wang and You He, Diversity of internal structures in inhibited epoxy primers. AIMS Materials Science (2015) 2 379-391. DOI: 10.3934/matersci.2015.4.379, URL:
    • A.E. Hughes, A. Trinchi, F.F. Chen, YS. Yang, S. Sellaiyan, J. Carr, P.D. Lee, G.E. Thompson, T.Q. Xiao, Structure and Transport in Coatings from Multiscale Computed Tomography of Coatings—New Perspectives for Eelectrochemical Impedance Spectroscopy Modeling?. Electrochimica Acta (2015) 2 379-391. DOI: doi:10.1016/j.electacta.2015.10.183
  8. ^ Hydrocarbon reservoir characterizations:
    • Sam Yang, Tim Gureyev, Andrew Tulloh, Ben Clennell and Marina Pervukhina, Feasibility of a data-constrained prediction of shale microstructures. 18th IMACS World Congress ModSim09 (13-17 July 2009, Cairns, Australia) pp 342-347
    • Y. S. Yang, T. E. Gureyev, A. Tulloh, M. B. Clennell, M. Pervukhina, Feasibility of a data-constrained prediction of hydrocarbon reservoir sandstone microstructures. Measurement Science & Technology 21 (April, 2010) 047001 (6pp), doi:10.1088/0957-0233/21/4/047001
    • Y. S. Yang, K. Y. Liu, S. Mayo, A. Tulloh, B. Clennell, T. Q. Xiao, A data-constrained modelling approach to sandstone microstructure characterization. J. Petroleum Science & Technology 105 (2013) pp76-83.
    • 王玉丹, 杨玉双, 刘可禹, 任玉琦, 谭海, 肖体乔, 非常规油气储集孔隙多尺度连通性的定量显微CT研究 (Quantitative investigations for multi-scale pore connection of unconventional oil and gas reservoirs with X-ray micro-CT). 矿物岩石地球化学通报 (Bulletin of Mineralogy, Petrology and Geochemistry) (2014)
    • Sam Yang, Yudan Wang, Sherry Mayo, Andrew Tulloh, Keyu Liu, Ben Clennell, Marina Pervukhina, Rukai Zhu, Ruru Li, John A. Taylor, Sally Irvine, Anton Maksimenko, 3D microstructure characterization of tight reservoir rocks and effective recoverable reserve estimation, 2014 APPEA Conference & Exhibition (Perth Convention Centre, Perth, Western Australia, 6–9 April 2014)
    • Huihua Kong, Ruru Li, Sam Y. S. Yang, Sherry Mayo, Xiaotian Qu, Rukai Zhu, Bin Bai, Jinxiao Pan and Haipeng Wang. Microstructure characterization of a sandstone sample with multi-energy X-ray micro-CT. 第十三届中国体视学与图像分析学术会议论文集 (Proceedings of the 13th China Conference on Stereology and Image Analysis). Eds: 刘国权,王忠,(24 Sept 2013,Taiyuan, Shanxi, China) pp410-416
    • Sam Yang, Fiona Chen, Sherry Mayo, Marina Pervukhina, Ben Clennell, Keyu Liu, John Taylor, DCM characterization of rock microstructures & pore throat. International Symposium on Theoretical Advancement & Technology Innovation for Emerging Energy Resources: Deep and Unconventional Hydrocarbon System TATIEER-2013 (2013) (12–14 April 2013, Beijing, China)
    • Yudan Wang, Sam Yang, Keyu Liu, Yuqi Ren, Hai Tan, Yiming Yang, Tiqiao Xiao, Multi-scale pore structure characterization for a shale by data-constrained modelling and multi-energy X-ray CT. International Symposium on Theoretical Advancement & Technology Innovation for Emerging Energy Resources: Deep and Unconventional Hydrocarbon System TATIEER-2013 (2013) (12–14 April 2013, Beijing, China)
    • Sheridan C. Mayo, Sam Y.S. Yang, Marina Pervukhina, Michael B. Clennell, Lionel Esteban, Sarah C. Irvine, Karen K. Siu, Anton S. Maksimenko, and Andrew M. Tulloh, Characterization of Darai Limestone Composition and Porosity Using Data-Constrained Modeling and Comparison with Xenon K-Edge Subtraction Imaging. Microsc. Microanal. (2015), doi:10.1017/S1431927615000653
  9. ^ Coal-related applications:
    • H. P. Wang, Y. S. Yang, Y. D. Wang, J. L. Yang, J. Jia, Y. H. Nie, Data-constrained modelling of coal physical structure with multi-spectrum synchrotron X-ray CT. Fuel (2013) 106 pp219-225.
    • Wen Hao Chen, Sam YS Yang, Ti Qiao Xiao, Sherry C Mayo, Yu Dan Wang, Hai Peng Wang, A synchrotron-based local computed tomography combined with data-constrained modelling approach for quantitative analysis of anthracite coal microstructure. J. Synchrotron Radiation (2014) 21 pp586-593. doi:10.1107/S0909049514002799.
    • 王海鹏 (Haipeng Wang),杨玉双 (Yushuang Yang),杨建丽 (Jianli Yang),聂一行 (Yihan Nie),贾晶 (Jin Jia) Patent: 煤炭样品组份分布及物理结构可视化的定量CT表征方法 (Quantitative CT visualization for coal sample compositional distributions and physical structures), 专利号: ZL 2012 1 0505069.0
    • 王海鹏 (Haipeng Wang), 杨玉双(Yushuang Yang), 蒋兴家 (Xingjia Jiang), 杨建丽Yang (Jianli), 聂一行(Yihag Nie), 基于DCM模型与同步辐射CT的煤直接液化残渣物理结构表征(Physical structure characterization of direct coal liquefaction residue by DCM model and synchrotron X-ray CT). Journal of Shanxi University (2014) Vol 37 No. 2 pp 545-552. DOI: 10.13451/j.cnki.shanxi.univ(nat.sci.).2014.04.013. URL:
    • 王海鹏,杨玉双,杨建丽,王玉丹,贾晶,聂一行, Visual characterization of an anthracite coal physical structure with multi-spectrum synchrotron X-ray CT and DCM model. International Symposium on Theoretical Advancement & Technology Innovation for Emerging Energy Resources: Deep and Unconventional Hydrocarbon System TATIEER-2013 (2013) (12–14 April 2013, Beijing, China)
  10. ^ A Trinchi, Y S Yang, J Z Huang, P Falcaro, D Buso and L Q Cao, Study of 3D Composition in a nanoscale sample using Data Constrained Modelling and Multi-Energy X-ray CT. Modelling Simul. Mater. Sci. Eng. 20 (2012) 015013. doi:10.1088/0965-0393/20/1/015013
    • Y. D. Wang, Y. S. Yang, I. Cole, A. Trinchi, T. Q. Xiao, Investigation of the Microstructure of an Aqueously Corroded Zinc Wire by Data-Constrained Modelling with Multi-Energy X-ray CT. Materials & Corrosion 64 (2013) pp180-184. DOI: 10.1002/maco.201106341
  11. ^ DCM datasets:
  12. ^ Fluid transport investigations:
    • F. F. Chen, Y.S. Yang, Microstructure-based characterisation of permeability using a random walk model. Modelling Simul. Mater. Sci. Eng. 20 (2012) 045005 doi:10.1088/0965-0393/20/4/045005
    • Ruru Li, Y. Sam Yang, Jinxiao Pan, Gerald Pereira, Clement Chu, John Taylor, Caineng Zou, Mian Lin, Lattice Boltzmann modeling of permeability in porous materials with partially percolating voxels. Phys Rev E 90 (2014) 033301. doi:10.1103/PhysRevE.90.033301. URL:
    • Ruru Li, Sam Yang, Jinxiao Pan, Gerald Pereira, Clement Chu, John Taylor, Caineng Zou, Mian Lin, Numerical model for flow in rocks composed of materials of different permeability. CFD 2014 - 10th International Conference on Computational Fluid Dynamics In the Oil & Gas, Metallurgical and Process Industries(June 17–19, Trondheim, Norway)
    • Sam Yang, Fiona Chen, Andrew Tulloh, Sherry Mayo, Adrian Trinchi, Clement Chu, Steve Wilkins, John Taylor, Ben Clennell, Keyu Liu, Microstructure-based materials performance modeling and characterization. 11th International Conference on X-ray Microscopy (2012) (5–10 August 2012, Shanghai, China. Poster)
    • Ruru Li, Sam Yang, Investigation of the microstructure of a sandstone sample with multi-energy x-ray CT. International Symposium on Theoretical Advancement & Technology Innovation for Emerging Energy Resources: Deep and Unconventional Hydrocarbon System TATIEER-2013 (2013) (12–14 April 2013, Beijing, China)
    • F F Chen, Y S Yang, M. Pervukhina, B. M. Clennell, J. A. Taylor, Clustering Analysis for Porous Media: an Application to a dolomite limestone. Modelling Simul. Mater. Sci. Eng. (2014)
    • 李如如, 杨玉双, 潘晋孝, 林缅, 刘可禹, 部分渗透格子玻尔兹曼流动及渗透率模拟计算 (Partially percolating lattice Boltzmann modeling of fluid flow and permeability). 山西大学学报 (Journal of Shanxi University) (2015) 38 (2) pp289-297.
  13. ^ Y. S. Yang, B. Clennell, Invited talk: Material microstructure characterization and property modelling with quantitative X-ray CT and DCM. Symposium on Multi-scale and Multi-dimensional Synchrotron Radiation Imaging MMSRI2015 (3-6 Nov 2015, Shanghai. China)
  14. ^ Y.D. Wang, A. Stevenson, Y.S. Yang, A. Trinchi, S. Wilkins, T.Q. Xiao, 2012 A quantitative study of monochromatic x-ray transmission through zinc wires. Journal Of Synchrotron Radiation 19 pp827-830. doi:10.1107/S0909049512027756
  15. ^ DCM Plugins: