Sökning: "first-principle methods"
Visar resultat 1 - 5 av 21 avhandlingar innehållade orden first-principle methods.
1. Surface Vibrational and Electron Spectroscopy - Experiments and first-principle calculations
Sammanfattning : This work deals with interpretation of experimental surface spectroscopic data with the aid of first-principle calculations. Surface infrared reflection-absorption spectra as well as spectra from the electron spectroscopic methods photoemission and X-ray absorption are considered. LÄS MER
2. Unifying first-principles and model approaches for strongly correlated materials : Interplay between long- and short-range correlations
Sammanfattning : In materials with open 3$d$ and 4$f$ shells the valence electrons are relatively localized around the atoms which leads to large electron-electron correlations. These, so called strongly correlated materials, exhibit many intriguing properties such as high $T_c$ superconductivity, colossal magneto-resistance and heavy fermion behaviour. LÄS MER
3. First-principle data-driven models for assessment of motor disorders in Parkinson’s disease
Sammanfattning : Parkinson’s disease (PD) is an increasing neurological disorder in an aging society. The motor and non-motor symptoms of PD advance with the disease progression and occur in varying frequency and duration. In order to affirm the full extent of a patient’s condition, repeated assessments are necessary to adjust medical prescription. LÄS MER
4. Multiscale Simulation Methods for Thermoelectric Generators
Sammanfattning : Rising energy prices and greater environmental awareness, along with stringent emissions legislation, in the automotive industry make it possible to introduce techniques in the aftertreatment system that have previously been unprofitable. One such technique, studied here, is heat recovery from exhaust gases using thermoelectric generators. LÄS MER
5. Development of Models, Methods, and Materiel for Deep Tissue Imaging using Light, Ultrasound, and Spectral-Hole Burning
Sammanfattning : The medical imaging technique called “ultrasound optical tomography” (UOT) entails light scattered in tissue that is given spatial information by interacting with an ultrasound field, thus allowing for molecular information to be imaged with ultrasonic resolution. This thesis discusses how UOT can be implemented, with most attention put toward the implementation using spectral-hole-burning filters (SHF) in rare-earth-ion-doped crystals. LÄS MER