Zobrazeno 1 - 10
of 107
pro vyhledávání: '"Marinica, Mihai-Cosmin"'
Autor:
Soum-Sidikov, Gabrielle, Crocombette, Jean-Paul, Marinica, Mihai-Cosmin, Doutre, Corentin, Lhuillier, David, Thulliez, Loïc
We determine the energy stored in the crystal defects induced by $\mathcal{O}(10-100)$\,eV nuclear recoils in low-threshold CaWO$_{4}$ cryogenic detectors. A Machine Learning interatomic potential is developed to perform molecular dynamics simulation
Externí odkaz:
http://arxiv.org/abs/2407.00133
Autor:
Lafourcade, Paul, Maillet, Jean-Bernard, Denoual, Christophe, Duval, Eléonore, Allera, Arnaud, Goryaeva, Alexandra M., Marinica, Mihai-Cosmin
The increased time- and length-scale of classical molecular dynamics simulations have led to raw data flows surpassing storage capacities, necessitating on-the-fly integration of structural analysis algorithms. As a result, algorithms must be computa
Externí odkaz:
http://arxiv.org/abs/2307.01560
Autor:
Allera, Arnaud, Goryaeva, Alexandra M., Lafourcade, Paul, Maillet, Jean-Bernard, Marinica, Mihai-Cosmin
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to crystalline syste
Externí odkaz:
http://arxiv.org/abs/2307.00978
Autor:
Grigorev, Petr, Goryaeva, Alexandra M., Marinica, Mihai-Cosmin, Kermode, James R., Swinburne, Thomas D.
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing methods. Many important structures are thus missing in the training or v
Externí odkaz:
http://arxiv.org/abs/2111.11262
Autor:
Allera, Arnaud, Goryaeva, Alexandra M., Lafourcade, Paul, Maillet, Jean-Bernard, Marinica, Mihai-Cosmin
Publikováno v:
In Computational Materials Science 5 January 2024 231
Autor:
Nikolov, Svetoslav, Wood, Mitchell A., Cangi, Attila, Maillet, Jean-Bernard, Marinica, Mihai-Cosmin, Thompson, Aidan P., Desjarlais, Michael P., Tranchida, Julien
Publikováno v:
npj Computational Materials 7, 153 (2021)
A data-driven framework is presented for building magneto-elastic machine-learning interatomic potentials (ML-IAPs) for large-scale spin-lattice dynamics simulations. The magneto-elastic ML-IAPs are constructed by coupling a collective atomic spin mo
Externí odkaz:
http://arxiv.org/abs/2101.07332
Publikováno v:
Acta Materialia 191, 166-185 (2020)
This work investigates solute transport due to self-interstitial defects and radiation induced segregation tendencies in dilute ferritic alloys, by computing the transport coefficients of each system based on ab initio calculations of binding energie
Externí odkaz:
http://arxiv.org/abs/1910.11440
Autor:
Grigorev, Petr, Goryaeva, Alexandra M., Marinica, Mihai-Cosmin, Kermode, James R., Swinburne, Thomas D.
Publikováno v:
In Acta Materialia 1 April 2023 247
Autor:
Mason, Daniel R, Nguyen-Manh, Duc, Marinica, Mihai-Cosmin, Alexander, Rebecca, Dudarev, Sergei L
The low energy structures of irradiation-induced defects have been studied in detail, as these determine the available modes by which a defect can diffuse or relax. As a result, there are many studies concerning the relative energies of possible defe
Externí odkaz:
http://arxiv.org/abs/1812.06874
Autor:
Messina, Luca, Quaglino, Alessio, Goryaeva, Alexandra, Marinica, Mihai-Cosmin, Domain, Christophe, Castin, Nicolas, Bonny, Giovanni, Krause, Rolf
Publikováno v:
Nucl. Instrum. Methods Phys. Res. B 483, 15-21 (2020)
The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in atomistic Kinetic Monte Carlo simulations. Accurat
Externí odkaz:
http://arxiv.org/abs/1808.06935