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Nano-tailoring organo-mineral materials - Controlling strength and healing with organic molecules in mineral interfaces

Deliverables

Model of relation between nanostructure and strength
Experimentally based model for damage and healing.

Experimentally based model for damage and healing

List of natural and sythesized organic ligands in chalk, limestone and marble

List of natural organic ligands in chalk, limestone and marble

Atomic and nanostructure data for Emiliana Huxleyi and chalk
MD simulation results with new realistic potentials of large confined systems validated by confined experiments
Microstructures of calcite aggregates with IPOC
Dissolution & growth passivation and effect of single contact with IPOC & natural ligands
Continuum and KMC models for pressure solution and force of crystallization
A model to simulate the effect of passivating organic matter.
Include effect of organic molecules in lattice Boltzmann geochemical model
The rate of calcite dissolution under constant load upon changes of ionic strength and pH
Determination and modification of adhesion and repulsion of confined CaCO3 with IPOC

Determination and modification of adhesion and repulsion of confined CaCO3 with IPOC.

Phase field model of deformation in multiphase systems
Microcrack distribution in calcite aggregates with IPOC and different fluids
Assessment of influence of mineralisation on strength of calcium carbonate materials
Position and attachment force of IPOC on calcite surfaces.
Experimental data and strength of nature inspired cements
Description of an algorithm coupling a node splitting discrete element model, for crack propagation, to a fluid transport lattice Boltzmann model
Model of viscosity and elasticity for pastes with organic additives
Critical review of calcite growth/dissolution models
Atomic and nanostructure data for synthetic calcite incorporating IPOC
Interface energy of calcite confining IPOC
Progress Report

According to Grant Agreement Art 19

Mesoscopic self-assembly and healing models.
Viscosity and elastic data for pastes with IPOC
Draft of Periodic Report

In preparation of the Mid-Term Review Meeting

X-ray tomography, creep and subcritical crack growth data on self-healing organic-mineral aggregates with IPOC
Mesoscale model of the deformation in multiphase systems
Calcite step dynamics with IPOC
Deformation characterization of calcite crystals with inorganic inclusions
Implementation of mesoscopic computational methods to study particle suspensions
Nano- and microstructure of peridotite based natural cements
Semi-empirical reaction field type description of key processes
Numerical model of CaCO3 interfacial structure, composition and reaction pathways

Publications

Formation of magnesium silicate hydrate cement in nature

Author(s): Lisa de Ruiter, Håkon Austrheim
Published in: Journal of the Geological Society, Issue 175/2, 2018, Page(s) 308-320, ISSN 0016-7649
Publisher: Geological Society Publishing House
DOI: 10.1144/jgs2017-089

Thermophoretic torque in colloidal particles with mass asymmetry

Author(s): Juan Olarte-Plata, J. Miguel Rubi, Fernando Bresme
Published in: Physical Review E, Issue 97/5, 2018, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/PhysRevE.97.052607

Electrohydrodynamic channeling effects in narrow fractures and pores

Author(s): Asger Bolet, Gaute Linga, Joachim Mathiesen
Published in: Physical Review E, Issue 97/4, 2018, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/PhysRevE.97.043114

Microfluidic Control of Nucleation and Growth of CaCO 3

Author(s): Lei Li, Jesus Rodriguez Sanchez, Felix Kohler, Anja Røyne, Dag Kristian Dysthe
Published in: Crystal Growth & Design, Issue 18/8, 2018, Page(s) 4528-4535, ISSN 1528-7483
Publisher: American Chemical Society
DOI: 10.1021/acs.cgd.8b00508

Plastic deformation and twinning mechanisms in magnesian calcites: a non-equilibrium computer simulation study

Author(s): Sanha Lee, Gøran Brekke-Svaland, Fernando Bresme
Published in: Physical Chemistry Chemical Physics, Issue 20/3, 2018, Page(s) 1794-1799, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c7cp06924c

Thin film modeling of crystal dissolution and growth in confinement

Author(s): Luca Gagliardi, Olivier Pierre-Louis
Published in: Physical Review E, Issue 97/1, 2018, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/PhysRevE.97.012802

Interactions Between Hydrated Calcium Carbonate Surfaces at Nanoconfinement Conditions

Author(s): Gøran Brekke-Svaland, Fernando Bresme
Published in: The Journal of Physical Chemistry C, Issue 122/13, 2018, Page(s) 7321-7330, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.8b01557

Growth of Calcite in Confinement

Author(s): Lei Li, Felix Kohler, Anja Røyne, Dag Dysthe
Published in: Crystals, Issue 7/12, 2017, Page(s) 361, ISSN 2073-4352
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cryst7120361

Surface Forces Apparatus Measurements of Interactions between Rough and Reactive Calcite Surfaces

Author(s): Joanna Dziadkowiec, Shaghayegh Javadi, Jon E. Bratvold, Ola Nilsen, Anja Røyne
Published in: Langmuir, Issue 34/25, 2018, Page(s) 7248-7263, ISSN 0743-7463
Publisher: American Chemical Society
DOI: 10.1021/acs.langmuir.8b00797

Residual Strain and Stress in Biocrystals

Author(s): Eva Seknazi, Boaz Pokroy
Published in: Advanced Materials, Issue 30/41, 2018, Page(s) 1707263, ISSN 0935-9648
Publisher: United Nations Industrial Developement Organization
DOI: 10.1002/adma.201707263

Crystal growth in nano-confinement: subcritical cavity formation and viscosity effects

Author(s): Luca Gagliardi, Olivier Pierre-Louis
Published in: New Journal of Physics, Issue 20/7, 2018, Page(s) 073050, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/aad454

Cavity Formation in Confined Growing Crystals

Author(s): Felix Kohler, Luca Gagliardi, Olivier Pierre-Louis, Dag Kristian Dysthe
Published in: Physical Review Letters, Issue 121/9, 2018, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.121.096101

A two-fluid model for vertical flow applied to CO 2 injection wells

Author(s): Gaute Linga, Halvor Lund
Published in: International Journal of Greenhouse Gas Control, Issue 51, 2016, Page(s) 71-80, ISSN 1750-5836
Publisher: Elsevier BV
DOI: 10.1016/j.ijggc.2016.05.009

Theoretical description of the thermomolecular orientation of anisotropic colloids

Author(s): Juan D. Olarte-Plata, Fernando Bresme
Published in: Physical Chemistry Chemical Physics, Issue 21/3, 2019, Page(s) 1131-1140, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8cp06780e

Experimental and Theoretical Insights into the Bioinspired Formation of Disordered Ba-Calcite

Author(s): Eva Seknazi, Davide Levy, Iryna Polishchuk, Alex Katsman, Boaz Pokroy
Published in: Advanced Functional Materials, 2018, Page(s) 1805028, ISSN 1616-301X
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/adfm.201805028

Bernaise: A Flexible Framework for Simulating Two-Phase Electrohydrodynamic Flows in Complex Domains

Author(s): Gaute Linga, Asger Bolet, Joachim Mathiesen
Published in: Frontiers in Physics, Issue 7, 2019, ISSN 2296-424X
Publisher: Frontiers Media Limited
DOI: 10.3389/fphy.2019.00021

Controlling wetting with electrolytic solutions: Phase-field simulations of a droplet-conductor system

Author(s): Gaute Linga, Asger Bolet, Joachim Mathiesen
Published in: Physical Review E, Issue 98/1, 2018, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/physreve.98.013101

Confined Growth with slow surface kinetics: a Thin Film Model approach

Author(s): Luca Gagliardi, Olivier Pierre-Louis
Published in: Journal of Crystal Growth, 2019, ISSN 0022-0248
Publisher: Elsevier BV
DOI: 10.1016/j.jcrysgro.2019.02.022

Specific Ion Effects on the Interaction of Hydrophobic and Hydrophilic Self-Assembled Monolayers

Author(s): T. Rios-Carvajal, N. R. Pedersen, N. Bovet, S. L. S. Stipp, T. Hassenkam
Published in: Langmuir, Issue 34/35, 2018, Page(s) 10254-10261, ISSN 0743-7463
Publisher: American Chemical Society
DOI: 10.1021/acs.langmuir.8b01720

Microscopic relationship between colloid–colloid interactions and the rheological behaviour of suspensions: a molecular dynamics-stochastic rotation dynamics investigation

Author(s): Juan D. Olarte-Plata, Fernando Bresme
Published in: Molecular Physics, Issue 116/15-16, 2018, Page(s) 2032-2040, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2018.1464673

Direct Observations of the Coupling between Quartz Dissolution and Mg-Silicate Formation

Author(s): Lisa de Ruiter, Christine V. Putnis, Jörn Hövelmann, Helen E. King, Håkon Austrheim
Published in: ACS Earth and Space Chemistry, 2019, ISSN 2472-3452
Publisher: American Chemical Society
DOI: 10.1021/acsearthspacechem.8b00197

Elasticity and yielding of a calcite paste: scaling laws in a dense colloidal suspension

Author(s): Teresa Liberto, Marie Le Merrer, Catherine Barentin, Maurizio Bellotto, Jean Colombani
Published in: Soft Matter, Issue 13/10, 2017, Page(s) 2014-2023, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/C6SM02607A

Self-similar distributions of fluid velocity and stress heterogeneity in a dissolving porous limestone

Author(s): Gaute Linga, Joachim Mathiesen, François Renard
Published in: Journal of Geophysical Research: Solid Earth, 2017, ISSN 2169-9313
Publisher: Niels Bohr Institute, UCPH
DOI: 10.1002/2016JB013536

Gypsum Dissolution Rate from Atomic Step Kinetics

Author(s): Bahareh Zareeipolgardani, Agnès Piednoir, Jean Colombani
Published in: The Journal of Physical Chemistry C, Issue 121/17, 2017, Page(s) 9325-9330, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.7b00612

Physico-chemical study of calcite colloidal suspensions: from macroscopic rheology to microscopic interaction

Author(s): Teresa Liberto
Published in: 2018
Publisher: Université de Lyon

INTERACTIONS BETWEEN CONFINED CALCITE SURFACES IN AQUEOUS SOLUTIONS A Surface Forces Apparatus Study

Author(s): Joanna Dziadkowiec
Published in: 2018
Publisher: University of Oslo

Fluid Flows with Complex Interfaces: Modelling and Simulation from Pore to Pipe

Author(s): Gaute Linga
Published in: 2018
Publisher: UNIVERSITY OF COPENHAGEN

A Quantum Mechanical Study of the Phase Stability and Phase Transition Mechanisms in CaCO3 at Finite Temperature and Pressure

Author(s): David Carrasco de Busturia
Published in: 2018
Publisher: Imperial College London

Thin film modeling of crystal growth and dissolution in confinement

Author(s): Luca Gagliardi
Published in: 2018
Publisher: Universite Claude Bernard Lyon 1

Experimental study of brittle or ductile behaviour of mineral cements

Author(s): Jesus Rodriguez-Sanchez
Published in: 2019
Publisher: University of Oslo

Interfacial interactions in calcium carbonate materials in the context of biomedical applications

Author(s): Barbara Myszka
Published in: 2018
Publisher: der Friedrich-Alexander-Universität Erlangen-Nürnberg

Specific ion effects on the interaction of organic and inorganic surfaces

Author(s): Tatiana Rios Carvajal
Published in: 2019
Publisher: København Universitet

Rock cementation by magnesium silicate hydrate

Author(s): Lisa de Ruiter
Published in: 2019
Publisher: University of Oslo

Hydration interactions under nanoconfinement and bulk deformation of calcium carbonate: insight from molecular dynamics simulations

Author(s): Gøran Brekke Svaland
Published in: 2018
Publisher: Imperial College London

Surface reactivity of soft minerals at atomic scale

Author(s): Bahareh Zareeipolgardani
Published in: 2019
Publisher: Universite Claude Bernard Lyon 1

Transient electrohydrodynamic flow with concentration dependent fluid properties: modelling and energy-stable numerical schemes

Author(s): Linga, Gaute; Bolet, Asger; Mathiesen, Joachim
Published in: arXiv > Physics > Fluid dynamics, 2018, ISSN 2331-8422
Publisher: Cornell University

Setting behaviour and bioactivity assessment of calcium carbonate cements

Author(s): Jesus Rodriguez Sanchez; Barbara Myszka; Aldo Roberto Boccaccini; Dag Kristian Dysthe
Published in: Zenodo, Issue 1, 2018, ISSN 2310-287X
Publisher: Zenodo
DOI: 10.5281/zenodo.1506848

A Hierarchy of Non-Equilibrium Two-Phase Flow Models

Author(s): Linga, Gaute
Published in: arXiv > Physics > Fluid dynamics, Issue 2, 2018, ISSN 2331-8422
Publisher: Cornell University

Mechanisms of phase transformation and creating mechanical strength in a sustainable calcium carbonate cement

Author(s): Jesus Rodriguez Sanchez; Teresa Liberto; Catherine Barentin; Dag Kristian Dysthe
Published in: preprints.org > materials science > general materials science, Issue 1, 2018, ISSN 2310-287X
Publisher: Preprints
DOI: 10.20944/preprints201810.0526.v1

Microstructure and relative humidity effects on long-term indentation creep properties of calcium carbonate cement

Author(s): Jesus Rodriguez Sanchez; Qing Zhang; Dag Kristian Dysthe
Published in: preprints.org > materials science > general materials science, Issue 1, 2018, ISSN 2310-287X
Publisher: Preprints
DOI: 10.20944/preprints201810.0671.v1

A Hierarchy of Non-Equilibrium Two-Phase Flow Models

Author(s): Gaute Linga, Tore Flåtten
Published in: arxiv>Physics>Fluid Dynamics, 2019, ISSN 2331-8422
Publisher: Cornell Universtity

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