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  • 1-10 ل  25 نتائج ل ""molecular dynamics simulations""

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Collection : Hal-In2p3 (Institut National De Physique Nucleaire Et De Physique Des Particules)
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Academic Journal

Molecular dynamics simulations of Mo nanoparticles sputtering under irradiation

Subjects: [PHYS]Physics [physics]; [CHIM.ANAL]Chemical Sciences/Analytical chemistry; [CHIM.INOR]Chemical Sciences/Inorganic chemistry

  • Source: ISSN: 0031-8949.

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Academic Journal

Computational diffraction reveals long-range strains, distortions and disorder in molecular dynamics simulations of irradiated single crystals

Subjects: [CHIM.MATE]Chemical Sciences/Material chemistry

  • Source: ISSN: 0021-8898.

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Academic Journal

Layered double hydroxide - borate composites supported on magnetic nanoparticles: preparation, characterization and molecular dynamics simulations

Subjects: [CHIM]Chemical Sciences

  • Source: ISSN: 1380-2224.

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Academic Journal

Intrinsic hydrophobicity of smectite basal surfaces quantitatively probed by molecular dynamics simulations

Subjects: [PHYS]Physics [physics]

  • Source: Appl.Clay Sc. ; https://hal.science/hal-02542868 ; Appl.Clay Sc., 2020, 188, pp.105497. ⟨10.1016/j.clay.2020.105497⟩

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Academic Journal

Metal cation complexation with natural organic matter in aqueous solutions: Molecular dynamics simulations and potentials of mean force

Subjects: Natural organic matter; Supramolecular aggregation; Molecular dynamics simulations

  • Source: ISSN: 0743-7463.

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Academic Journal

Adsorption of gluconate and uranyl on C-S-H phases: Combination of wet chemistry experiments and molecular dynamics simulations for the binary systems

Subjects: calcium silicate hydrate; Uranium (VI); gluconate

  • Source: ISSN: 1474-7065.

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Academic Journal

Structure, Energetics, and Dynamics of Cs+ and H2O in Hectorite: Molecular Dynamics Simulations with an Unconstrained Substrate Surface

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 1932-7447.

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Academic Journal

Diffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulations

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.OTHE]Chemical Sciences/Other

  • Source: ISSN: 1463-9076.

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Academic Journal

Analysis of strain and disordering kinetics based on combined RBS-channeling and X-ray diffraction atomic-scale modelling

Subjects: Irradiation effect; RBS/C; X-ray diffraction (XRD)

  • Source: ISSN: 1359-6454 ; Acta Materialia ; https://hal.science/hal-03034474 ; Acta Materialia, 2020, 201, pp.63-71. ⟨10.1016/j.actamat.2020.09.076⟩.

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Academic Journal

Interaction of Ions with Hydrated Clay Surfaces: Computational Molecular Modeling for Nuclear Waste Disposal Applications

Subjects: mineral-water interfaces; clay; molecular dynamics simulations

  • Source: ISSN: 1878-5220 ; Procedia Earth and Planetary Science ; https://hal.in2p3.fr/in2p3-01577622 ; Procedia Earth and Planetary Science, 2017, 17, pp.566 - 569. ⟨10.1016/j.proeps.2016.12.144⟩.

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  • 1-10 ل  25 نتائج ل ""molecular dynamics simulations""