Abstract
Mineral dissolution is a fundamental process in geochemistry and materials science. It is controlled by the complex interplay of atomic level mechanisms like adatoms and terraces removal, pit opening, and spontaneous vacancy creation that can be gradually activated at different energies.
| Original language | English |
|---|---|
| Article number | 1900114 |
| Pages (from-to) | 1900114 |
| Number of pages | 1 |
| Journal | Advanced Theory and Simulations |
| Volume | 2 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - 1 Oct 2019 |
Keywords
- Geochemistry
- Mineral dissolution
- Materials science
- Gibbs free energy
- Kinetic Monte Carlo
- Transition state theory
Project and Funding Information
- Funding Info
- This work was done under the umbrella of the Basque Country Initiative for Cement and Concrete Research (BASKRETE), and supported by the ELKARTEK and EMAITEK programs of the Basque Country Government. J.S.D. acknowledges the funding from the Spanish Ministry of Economy, Industry and Competitiveness (project Ref-201860I057) and the Spanish Ministry of Science, Innovation and Universities (project Ref RTI2018-098554- B-I00). P.M. acknowledges support from the Ph.D. scholarship Tecnalia Research & Innovation’s grant. All the simulations have been carried out at the high performance computing service of Basque Country i2basque.