Sökning: "jellium model"

Visar resultat 1 - 5 av 12 avhandlingar innehållade orden jellium model.

  1. 1. Metal Cluster Reactivity. Adsorption of small molecules in biomolecular collisions

    Författare :Mats Andersson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; O2; CO; ionization potential; Con; Fen; NO; sticking probability; laser ionization; D2; Wn; Cun; Rhn; reaction probability; cluster; jellium model; Nbn; metal cluster reactivity; N2; time-of-flight mass spectrometry; Nin;

    Sammanfattning : Metal clusters can be characterized as the tiniest possible metal particles, containing only an easily counted number of atoms. In this work, reactions between metal clusters and diatomic molecules have been investigated. We have constructed an experimental set-up to produce and detect clusters, and to investigate their chemical reactivity. LÄS MER

  3. 2. Interatomic total-energy potentials for atomistic simulations of metallic systems

    Författare :Jan Hartford; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; materials science; atom-in-jellium; atomistic approaches; DFT; GGA-PW91; density functional; effective medium theory; EMT; inhomogeneous electron gas; model potential; generalized gradient approximation;

    Sammanfattning : .... LÄS MER

  4. 3. Nanomechanics – Quantum Size Effects, Contacts, and Triboelectricity

    Författare :Martin Olsen; Jonas Örtegren; Håkan Olin; Per Gradin; Peter Glans; Rusen Yang; Mittuniversitetet; []
    Nyckelord :triboelectricity; adatom; ion; charge; mound; quantum size effect; triboelctric nanogenerator; TENG; wind driven; contact; nanomechanics; fri electron model; nanowire cantilever;

    Sammanfattning : Nanomechanics is different from the mechanics that we experience in everyday life. At the nano-scale, typically defined as 1 to 100 nanometers, some phenomena are of crucial importance, while the same phenomena can be completely neglected on a larger scale. LÄS MER

  5. 4. Total Energy Calculations for Predictive Modeling of Crystalline Materials Strength

    Författare :Jan Hartford; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Materials properties depend on phenomena in a hierarchical order from atomic to macroscopic scales. This thesis studies possibilities for electron-structure and total-energy calculations to provide results that are valuable for the modeling of crystalline materials strength. LÄS MER

  7. 5. Models of Auger Neutralization and Tunneling at Metal Surfaces

    Författare :Tony Fondén; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This thesis consists of a theoretical study of electron transfer at metal surfaces. It considers two types of electron transfer (electron tunneling and Auger neutralization) that both can be used as a spectroscopy to investigate the surface electronic structure. LÄS MER