Helmholtz-Programm MTET: „Materials and Technologies for the Energy Transition“

  • Contact:

    Britta Nestler

  • Funding:

    Helmholtz Programmorientierte Forschung

  • Startdate:

    2021

Textüberschrift

BildIAM-CMS

The FuE project belongs to the sub-topic 4 "Geoenergy" of the topic "High-Temperature Thermal Technologies" of the Helmholtz programme MTET and is centrally located in Cluster 3: "Multi-physics modelling and materials", with the topic of the microstructure simulation of scaling, sedimentation and corrosion, as well as the coupled processes of flow, heat/substance transport and mechanics.

The research work includes the development of methods, for the description of anisotropic crystal symmetries, the simulation of large-scale 3D crystallisation processes of polycrystalline microstructures in porous rock structures, as a result of scaling and sedimentation, as well as the implementation of data analysis procedures, for the determination of effective relationships between the grain boundary dynamics, the changing porosity and the permeability through cementation processes. Another focus is on the implementation of coupled microstructure-mechanics models, for the calculation of thermomechanical and chemomechanical processes in polycrystalline rock fractures. In this topic area, modelling of corrosion processes is also to be established.

Cluster: Materials and Geoprocesses Fluid-Rock Interaction

Description

Within the spectrum of renewable energy sources, geothermal energy systems are a significant element with increasing prospects. Process simulation does play an essential role in the efficient, secure and durable construction and use of the power plants and does represent an indispensable tool for a quantitative understanding of the complex hydraulic, thermal, mechanical and chemical processes in fractured crystalline reservoirs. The research work done within the cluster has the objective to investigate the influence of the three-dimensional fracture geometry and the surface structure on the flow properties, the loss of pressure and the heat transfer rate of a multiphase fluid in multiphysical simulations of fluid mechanics and the mass and heat transfer. Based on the hydrothermal calculations, the material models allow a description of the precipitation and crystallization processes at the fracture walls and a prediction of the change of the aperture and of the permeability resulting from this.

 

 

 

 

Circulating waters in deep geothermal power plants are not in equilibrium with the in situ conditions concerning P, T and chemical composition. Complex fluid-rock interactions include  mineral dissolution and/or precipitation reactions leading to:

  • Changes in the long-term reservoir hydraulics
  • The mobilization of reservoir-specific natural occurringchemotoxic and radiotoxic elements

 

Geothermal Energy Systems

As a central part of the Topic "Geothermal Energy Systems" within the Programme "Renewable Energies" of the Helmholtz Association, the Cluster focuses inter alia on the artefact-free geochemical monitoring and analysis of the circulating waters, the appropriate thermodynamic description of the brines, including the prediction of mineral precipitation, and their kinetics and the mechanistic understanding of technical solutions (e.g. inhibitor application) to prevent secondary phase formation (scales). Based on this approach, the sustainability of the geothermal power plants and the minimization of operational and waste disposal costs will be tackled and solutions will be provided.

 

Material corrosion

Material resistance at geothermal power plants is highly challenged due to chemical and mechanical attacks by geothermal brines. Material corrosion of metallic construction materials is therefore a major concern for operators in geothermal industry. A reasonable material selection and corrosion engineering can enhance power plant availability and decrease the operating costs. Thus, another objective of the cluster is to minimize corrosion processes of construction materials in geothermal power plants.

 

Multiphase flow Simulations

To estimate the dynamic chemical and physical conditions of the wellbore, computational multiphase flow simulations based on the equation of state are developed. This novel wellbore simulator enables the estimation of parameters such as temperature, pH, CO2-, Cl- - concentrations, and the process of degassing of the fluid. Knowledge of these parameters is a prerequisite for studying corrosion conditions and material behavior.

 

Material Simulations

Apart from experimental studies of the electrochemical processes, material simulations are developed to capture electrochemically induced phase transitions, which are employed for the simulation-aided prediction of corrosion and damaging processes for various materials and temperature conditions.

 

Hydrothermal Simulations and Hydrochemical Modeling

By means of hydrothermal simulations and hydrochemical modeling, the influence of the fluid properties on the precipitation and corrosion process can be investigated. An analysis of the corrosion tendency depending on the geometry factors of the construction elements forms the basis for an optimized construction of the power plant.

 

Another major challenge is to find suitable corrosion inhibitors for the often very complex and varying geochemistry at different geothermal sites. Besides the investigation and evaluation of new and existing inhibitors, corrosion phenomena of various materials are generally investigated in electrochemical investigations as well as in exposure tests.

 

Publications


2021
Formation of wide-blocky calcite veins by extreme growth competition
Spruženiece, L.; Späth, M.; Urai, J. L.; Ukar, E.; Selzer, M.; Nestler, B.; Schwedt, A.
2021. Journal of the Geological Society, 178 (2), jgs2020–104. doi:10.1144/jgs2020-104
2020
Extreme Scale Phase-Field Simulation of Sintering Processes
Hierl, H.; Hötzer, J.; Seiz, M.; Reiter, A.; Nestler, B.
2020. 2019 IEEE/ACM 10th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), Denver, CO, USA, 18-18 Nov. 2019, 25–32, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ScalA49573.2019.00009
Microstructural transition in monotectic alloys: A phase-field study
Laxmipathy, V. P.; Wang, F.; Selzer, M.; Nestler, B.
2020. International journal of heat and mass transfer, 159, Art.-Nr. 120096. doi:10.1016/j.ijheatmasstransfer.2020.120096
Calibrating micro-computed tomography data to permeability experiments and petrography – insights from Digital Rocks
Monsees, A. C.; Subhedar, A.; Busch, B.; Nestler, B.; Hilgers, C.
2020. Oil gas, (3/2020), 28–33. doi:10.19225/200908
A digital workflow for learning the reduced-order structure-property linkages for permeability of porous membranes
Yabansu, Y. C.; Altschuh, P.; Hötzer, J.; Selzer, M.; Nestler, B.; Kalidindi, S. R.
2020. Acta materialia, 195, 668–680. doi:10.1016/j.actamat.2020.06.003
Quadrijunctions-stunted grain growth in duplex microstructure: A multiphase-field analysis
Perumal, R.; Kubendran Amos, P. G.; Selzer, M.; Nestler, B.
2020. Scripta materialia, 182, 16–20. doi:10.1016/j.scriptamat.2020.02.041
Multiphase-field modelling of crack propagation in geological materials and porous media with Drucker-Prager plasticity
Späth, M.; Herrmann, C.; Prajapati, N.; Schneider, D.; Schwab, F.; Selzer, M.; Nestler, B.
2020. Computational geosciences, 25 (1), 325–343. doi:10.1007/s10596-020-10007-0
Brittle anisotropic fracture propagation in quartz sandstone: insights from phase-field simulations
Prajapati, N.; Herrmann, C.; Späth, M.; Schneider, D.; Selzer, M.; Nestler, B.
2020. Computational geosciences, 24, 1361–1376. doi:10.1007/s10596-020-09956-3
Interface tracking characteristics of color-gradient lattice Boltzmann model for immiscible fluids
Subhedar, A.; Reiter, A.; Selzer, M.; Varnik, F.; Nestler, B.
2020. Physical review / E, 101 (1), Article: 013313. doi:10.1103/PhysRevE.101.013313
A Stochastic Study of Flow Anisotropy and Channelling in Open Rough Fractures
Marchand, S.; Mersch, O.; Selzer, M.; Nitschke, F.; Schoenball, M.; Schmittbuhl, J.; Nestler, B.; Kohl, T.
2020. Rock mechanics and rock engineering, 53, 233–249. doi:10.1007/s00603-019-01907-4
2019
Influence of melt convection on the morphological evolution of seaweed structures: Insights from phase-field simulations
Pavan Laxmipathy, V.; Wang, F.; Selzer, M.; Nestler, B.; Ankit, K.
2019. Computational materials science, 170, Art.-Nr. 109196. doi:10.1016/j.commatsci.2019.109196
2018
Multiphase-field model of small strain elasto-plasticity according to the mechanical jump conditions
Herrmann, C.; Schoof, E.; Schneider, D.; Schwab, F.; Reiter, A.; Selzer, M.; Nestler, B.
2018. Computational mechanics, 62 (6), 1399–1412. doi:10.1007/s00466-018-1570-0
An elasto-chemical phase-field model for isotropic solids
Tschukin, O.; Schneider, D.; Nestler, B.
2018. European journal of mechanics / A, 73, 181–191. doi:10.1016/j.euromechsol.2018.06.014
Anisotropy and flow channeling with shearing in rough self-affine single fractures
Marchand, S.; Selzer, M.; Mersch, O.; Schoenball, M.; Nitschke, F.; Schmittbuhl, J.; Nestler, B.; Gaucher, E.; Kohl, T.
2018. 6th European Geothermal Workshop (EGW 2018), Strasbourg, France, October 10–11, 2018
Hydraulic anisotropy in simulated sheared fractures: a statistical analysis with comparison of aperture determination methods
Marchand, S.; Selzer, M.; Mersch, O.; Schoenball, M.; Nitschke, F.; Schmittbuhl, J.; Nestler, B.; Gaucher, E.; Kohl, T.
2018. European Geosciences Union General Assembly (EGU 2018), Vienna, Austria, April 8–13, 2018
Three-Dimensional Phase-Field Investigation of Pore Space Cementation and Permeability in Quartz Sandstone
Prajapati, N.; Selzer, M.; Nestler, B.; Busch, B.; Hilgers, C.; Ankit, K.
2018. Journal of geophysical research / Solid earth, 123 (8), 6378–6396. doi:10.1029/2018JB015618
Modeling fracture cementation processes in calcite limestone: a phase-field study
Prajapati, N.; Selzer, M.; Nestler, B.; Busch, B.; Hilgers, C.
2018. Geothermal Energy, 6 (1), 7. doi:10.1186/s40517-018-0093-4
Perspectives on material modelling: Porous and particle-based microstructures
Nestler, B.; August, A.; Selzer, M.; Hötzer, J.; Kellner, M.; Prajapati, N.; Rehn, V.; Seiz, M.
2018. Ceramic applications, 6 (1), 73–77
2017
Concepts of modeling surface energy anisotropy in phase-field approaches
Tschukin, O.; Silberzahn, A.; Selzer, M.; Amos, P. G. K.; Schneider, D.; Nestler, B.
2017. Geothermal Energy, 5 (1), Art.Nr. 19. doi:10.1186/s40517-017-0077-9
Phase-field study on the formation of first-neighbour topological clusters during the isotropic grain growth
Perumal, R.; Kubendran Amos, P. G.; Selzer, M.; Nestler, B.
2017. Computational materials science, 140, 209–223. doi:10.1016/j.commatsci.2017.08.043
Computational modeling of calcite cementation in saline limestone aquifers : a phase-field study
Prajapati, N.; Selzer, M.; Nestler, B.
2017. Geothermal Energy, 5 (1), Art. Nr.: 15. doi:10.1186/s40517-017-0072-1
Large-scale multiphase-field simulations of microstructures
Nestler, B.
2017. Mechanikkolloquium, RWTH Aachen, Germany, 2017
On stress and driving force calculation within multiphase-field models : Applications to martensitic phase transformation in multigrain systems
Schneider, D.; Schoof, E.; Schwab, F.; Herrmann, C.; Selzer, M.; Nestler, B.
2017. 4th GAMM Workshop on Phase Field Modeling, RWTH Aachen University, Germany, 2nd - 3rd February 2017
Integrated Research as Key to the Development of a Sustainable Geothermal Energy Technology
Meller, C.; Bremer, J.; Ankit, K.; Baur, S.; Bergfeldt, T.; Blum, P.; Canic, T.; Eiche, E.; Gaucher, E.; Hagenmeyer, V.; Heberling, F.; Held, S.; Herfurth, S.; Isele, J.; Kling, T.; Kuhn, D.; Mayer, D.; Müller, B.; Nestler, B.; Neumann, T.; Nitschke, F.; Nothstein, A.; Nusiaputra, Y.; Orywall, P.; Peters, M.; Sahara, D.; Schäfer, T.; Schill, E.; Schilling, F.; Schröder, E.; Selzer, M.; Stoll, M.; Wiemer, H.-J.; Wolf, S.; Zimmermann, M.; Kohl, T.
2017. Energy technology, 5 (7), 965–1006. doi:10.1002/ente.201600579
Experimental and numerical investigation of drop evaporation depending on the shape of the liquid/gas interface
Schweigler, K. M.; Ben Said, M.; Seifritz, S.; Selzer, M.; Nestler, B.
2017. International journal of heat and mass transfer, 105, 655–663. doi:10.1016/j.ijheatmasstransfer.2016.10.033
Surface rippling during solidification of binary polycrystalline alloy : Insights from 3-D phase-field simulations
Ankit, K.; Xing, H.; Selzer, M.; Nestler, B.; Glicksman, M. E.
2017. Journal of Crystal Growth, 457, 52–59. doi:10.1016/j.jcrysgro.2016.05.033
2016
Three-dimensional phasefield investigation of pore-space and permeability in sandstone
Prajapati, N.; Ankit, K.; Nestler, B.; Schmidt, C.; Hilgers, C.
2016. American Geophysical Union (AGU) Fall Meeting 2016, San Francisco, California, 12th - 16th December 2016
Threedimensional phasefield investigation of pore space cementation and permeability in quartz sandstone
Prajapati, N.; Ankit, K.; Selzer, M.; Nestler, B.; Schmidt, C.; Hilgers, C.
2016. Workshop "Geothermische Fluide in Salinaren Systemen", KIT- Karlsruhe, Germany, 2016
Evolution von Mikroporen in Kristallen mit hexagonaler Gitteranisotropie
Schneider, D.; Langerome, B.; Selzer, M.; Reiter, A.; Nestler, B.
2016. Forschung aktuell, 36–38
Threedimensional phasefield investigation of pore space cementation and permeability in quartz sandstone
Prajapati, N.; Ankit, K.; Selzer, M.; Nestler, B.; Schmidt, C.; Hilgers, C.
2016. AGU 2016 : American Geophysical Union, San Francisco, California, 12th - 16th December 2016
On stress and driving force calculation within phase-field models : Applications to martensitic phase transformation and crack propagation in multiphase systems
Schneider, D.; Schoof, E.; Tschukin, T.; Schwab, F.; Selzer, M.; Nestler, B.
2016. Interdisziplinäres Seminar Mathematik und Mechanik, Kaiserslautern, Deutschland, 2016
Phase-field modeling of crack propagation in multiphase systems
Schneider, D.; Schoof, E.; Schwab, F.; Selzer, M.; Nestler, B.
2016. EMMC15 : 15th European Mechanics of Materials Conference, Brussel, Belgium, 7th - 9th September 2016
Phase-field modeling of crack propagation in multiphase systems
Schneider, D.; Schoof, E.; Schwab, F.; Selzer, M.; Nestler, B.
2016. ECCOMAS 2016 : European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, 5th - 10th June 2016
Pattern formation studies by large-scale phase-field simulations
Nestler, B.
2016. GAMM-Jahrestagung, Braunschweig, Deutschland, 7. - 11. März 2016
Analytics for microstructure datasets produced by phase-field simulations
Steinmetz, P.; Yabansu, Y. C.; Hötzer, J.; Jainta, M.; Nestler, B.; Kalidindi, S. R.
2016. Acta materialia, 103, 192–203. doi:10.1016/j.actamat.2015.09.047
Calibration of a multi-phase field model with quantitative angle measurement
Hötzer, J.; Tschukin, O.; Ben Said, M.; Berghoff, M.; Jainta, M.; Barthelemy, G.; Smorchkov, N.; Schneider, D.; Selzer, M.; Nestler, B.
2016. Journal of materials science, 51 (4), 1788–1797. doi:10.1007/s10853-015-9542-7
Modeling of crack propagation on a mesoscopic length scale
Nestler, B.; Schneider, D. M.; Schoof, E.; Huang, Y.; Selzer, M.
2016. GAMM-Mitteilungen, 39 (1), 78–91. doi:10.1002/gamm.201610005
2015
Elasto-plastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials (PTM), Whistler, Canada, 28th June - 3rd July 2015
Elasto-plastic phase-field model based on mechanical jump conditions
Schneider, D.; Tschukin, O.; Selzer, M.; Nestler, B.
2015. 2. GAMM Seminar on Phase-Field-Modelling, Siegen University, Germany, 5th - 6th February 2015
Elastoplastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Tschukin, O.; Schoof, E.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. PTM 2015 : International Conference on Solid-Solid Phase Transformations in Inorganic Materials, Westin Whistler Resort & Spa, Canada, 28th June - 3rd July 2015
Elastoplastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Tschukin, O.; Schoof, E.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. ICM12 : 12th International Conference on the Mechanical Behavior of Materials, Karlsruhe, Germany, 10th - 14th May 2015
Phase-Field Modeling of Solid-Solid Phase Transformations
Schneider, D.; Kumar, A.; Tschukin, O.; Selzer, M.; Nestler, B.
2015. ESMC9 : 9th European Solid Mechanics Conference, Madrid, Spain, 6th - 10th July 2015
Elasto-plastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015 (PTM), Whistler, Canada, 28th June - 3rd July 2015. Ed.: M. Militzer, 899–900, PTM
Microstructural evolution in bitaxial crack-seal veins: A phase-field study
Ankit, K.; Urai, J. L.; Nestler, B.
2015. Journal of geophysical research / Solid earth, 120 (5), 3096–3118. doi:10.1002/2015JB011934
Phase‐field Modeling of Fracture Cementation Processes in 3‐D
Ankit, K.; Selzer, M.; Hilgers, C.; Nestler, B.
2015. Journal of Petroleum Science Research, 4 (2), 79–96. doi:10.12783/jpsr.2015.0402.04
Small strain elasto-plastic multiphase-field model
Schneider, D.; Schmid, S.; Selzer, M.; Boehlke, T.; Nestler, B.
2015. Computational Mechanics, 55 (1), 27–35. doi:10.1007/s00466-014-1080-7
2014
Numerical methods to study phase transformation and transport mechanisms in veins
Ankit, K.; Nestler, B.
2014. PetroTherm-Seminar SS 2014 : Introduction to GeoLab, Karlsruhe, Germany, 17th April 2014
Comprehending the mechanism of vein formation : Insights from three-dimensional phase-field modeling and innovative post-processing techniques
Ankit, K.; Selzer, M.; Nestler, B.
2014. The Clustered ECCM V and ECFD VI Jointly Organized with WCCM XI : 11th World Congress on Computational Mechanics - 5th European Conference on Computational Mechanics - 6th European Conference on Computational Fluid Dynamics Barcelona, Spain, 20-25 July 2014
A three-dimensional phase-field study of grain boundary tracking behavior in crack-seal microstructures
Ankit, K.; Selzer, M.; Nestler, B.
2014. European Geosciences Union General Assembly (EGU 2014), Vienna, Austria, April 27–May 2, 2014
Phase-field modeling of crystal growth in geological veins : A first look
Ankit, K.; Urai, J.; Hilgers, C.; Nestler, B.
2014. PFM 2014 : The Third International Symposium on Phase-field Method 2014, State College, Pennsylvania, 26th-29th August 2014
Mathematical modeling of microstructural evolution in geological vein networks and solid-state phase transformations
Ankit, K.; Nestler, B.
2014. Workshop on polycrystalline growth : New insights from experiments and modeling, Karlsruhe, Germany, 2014
Phasenfeldmodellierung der Spannungsentwicklung in heterogenen Gefügen
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2014. Sitzung Fachausschuss Computersimulation, Bochum, Deutschland, 2014
Phase-field modeling of stress evolution in heterogen structures
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2014. 11th World Congress on Computational Mechanics, Barcelona, Spain, 20–25 July 2014
Phase-field modeling of diffusion coupled crack propagation processes
Schneider, D.; Selzer, M.; Bette, J.; Rementeria, I.; Vondrous, A.; Hoffmann, M. J.; Nestler, B.
2014. Advanced Engineering Materials, 16 (2), 142–146. doi:10.1002/adem.201300073
Three-dimensional phase-field study of crack-seal microstructures - insights from innovative post-processing techniques
Ankit, K.; Selzer, M.; Nestler, B.
2014. Geoscientific model development discussions, 7, 631–658. doi:10.5194/gmdd-7-631-2014
Modelling of transient heat conduction with diffuse interface methods
Ettrich, J.; Choudhury, A.; Tschukin, O.; Schoof, E.; August, A.; Nestler, B.
2014. Modelling and simulation in materials science and engineering, 22 (8), Art.Nr. 085006/1–29. doi:10.1088/0965-0393/22/8/085006
Parallel computing for phase-field models
Vondrous, A.; Selzer, M.; Hötzer, J.; Nestler, B.
2014. The international journal of high performance computing applications, 28 (1), 61–72. doi:10.1177/1094342013490972
2013
Phase-field study of grain boundary tracking behavior in crack-seal microstructures
Ankit, K.; Nestler, B.; Selzer, M.; Reichardt, M.
2013. Contributions to Mineralogy and Petrology, 166 (6), 1709–1723. doi:10.1007/s00410-013-0950-x