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Cluster: Materials and Geoprocesses

Cluster: Materials and Geoprocesses
Contact:

Prof. Dr. rer. nat. Britta Nestler

links:
Project Group:

Prof. Dr. Britta Nestler

Prof. Dr. Thomas Kohl

Prof. Dr. Jochen Kolb

Dr. Dietmar Kuhn

Dr. rer. nat. Roman Zorn

Prof. Dr. Christoph Hilgers

Cluster Principle Investigator: Prof. Dr. Britta Nestler
Name Title Phone E-mail
Prof. Dr. rer. nat. +49 721 608-45310 britta nestlerNmu5∂kit edu

Cluster Research Associate Contact Person
Name Title Phone E-mail
Prof. Dr. +49 721 608-42139 christoph hilgersVcz5∂kit edu
Dr. +49 721 608-45047 maziar gholamikorzaniYui0∂kit edu
M.Sc. +49 721 608-45022 nishant prajapatiVjq9∂kit edu
Dr.-Ing. +49 721 608-47987 daniel schneiderYuj9∂kit edu
Dr.-Ing. +49 721 608-45311 michael selzerFta4∂kit edu
Dr.   roman zornIwm4∂eifer uni-karlsruhe de

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


2018
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), Straßburg, Frankreich, 10.–11. Oktober 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. EGU General Assembly (2018), Wien, Österreich, 8.–13. April 2018
lnfluence of fluid flow on morphological evolution of seaweed structures: A phase-field model [in press].
Veluvali, P. L.; Wang, F.; Selzer, M.; Ankit, K.; Nestler, B.
2018. Computational materials science
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
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
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
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, Whistler (British Columbia)
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. EGU 2014 : European Geosciences Union General Assembly, Vienna, Austria, 27th April - 02nd May 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