Sökning: "ion dynamics"

Visar resultat 1 - 5 av 272 avhandlingar innehållade orden ion dynamics.

  1. 1. Using Molecular Dynamics Simulations to Explore Critical Property Relationships in Polymer Electrolytes : Polarity, Coordination, Ionic transport, Ion-pairing, and Ion-ion Correlations

    Författare :Harish Gudla; Daniel Brandell; Chao Zhang; Andreas Heuer; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Solid polymer electrolytes; molecular dynamics simulations; solvent polarity; ion-pairing; ion coordination; ion transport mechanisms; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Sammanfattning : While ion transport in solid polymer electrolytes (SPEs) has been explored for decades, there still remains controversies about its fundamental properties, often correlated with gaps between experimental and computational studies. Using molecular dynamics simulations to understand the complex transport mechanisms and also to fill these gaps is the main goal of this thesis. LÄS MER

  3. 2. A study of the structure and dynamics of Saturn's inner plasma disk

    Författare :Mika Holmberg; Jan-Erik Wahlund; Nikolai Piskunov; Svetlana Ratynskaia; Thomas Cravens; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Planetary magnetospheres; Saturn; magnetospheric dynamics; Saturn s inner plasma disk; ring plasma; ion densities; ion velocities; dayside nightside asymmetry; ion loss rates; Cassini; Langmuir probe; RPWS; Space Physics; Rymdfysik;

    Sammanfattning : This thesis presents a study of the inner plasma disk of Saturn. The results are derived from measurements by the instruments on board the Cassini spacecraft, mainly the Cassini Langmuir probe (LP), which has been in orbit around Saturn since 2004. LÄS MER

  4. 3. Classical and Car-Parrinello Molecular Dynamics Simulations of Polyvalent Metal Ions in Water

    Författare :Sami Amira; Kersti Hermansson; Imre Bako; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; Car-Parrinello molecular dynamics simulations; ab initio calculations; ion; copper; aluminium; metal ion; water; aqueous solution; solvation; Oorganisk kemi; Inorganic chemistry; Oorganisk kemi;

    Sammanfattning : The aqueous solvation of metal ions is one of the long-standing and complex problems in chemistry, with implications for and applications in a broad range of biochemical and electrochemical systems, where water is the all-pervasive medium.This thesis describes computer simulations of Al3+(aq), Fe2+(aq), Fe3+(aq) and Cu2+(aq). LÄS MER

  5. 4. Numerical simulation of the dynamics of a trapped molecular ion

    Författare :Avazeh Hashemloo; Claude Dion; Michael Drewsen; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; diatomic molecular ion; linear Paul trap; rigid rotor; quantum rotational dynamics; wave-packet dynamics; time-dependent Schrödinger equation; stability;

    Sammanfattning : This thesis explores the dynamics of a heteronuclear diatomic molecular ion, possessing a permanent electric dipole moment, µ, which is trapped in a linear Paul trap and can interact with an off-resonance laser field. To build our model we use the rigid-rotor approximation, where the dynamics of the molecular ion are limited to its translational and rotational motions of the center-of-mass. LÄS MER

  7. 5. Performance and Security Analysis for GPU-Based Applications

    Författare :Adrian Horga; Petru Ion Eles; Zebo Peng; Ahmed Rezine; Sudipta Chattopadhyay; Nicola Bombieri; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Graphics Processing Units (GPUs) are becoming more and more prevalent in general-purpose computing. GPUs are used in areas from embedded systems to super-computing. LÄS MER