<p>More and more travellers use navigation-aid software to find the way while driving. Most of todays systems use static maps with little or no information at all about currently yeilding roads conditions and disturbances in the network. It is desirable for such services</p><p>in the future to include information about road works, accidents, surface conditions and other types of events that affects what route is currently the best.</p><p>It is also desirable to notify users about changes in the prerequisites of the chosen route after they have started their trip.</p><p>This thesis investigates methods to include dynamic traffic information in route calculations and notifying users when the characteristics change for their chosen route.</p><p>The thesis utilizes dynamic traffic information from The Swedish Road Agencys (Vägverket) central database for traffic information, TRISS and calculates affected clients with help of positioning through the GSM network.</p>

<p>One of the traditional approaches to reduce costs of solar energy is to use inexpensive reflectors to focus the light onto highly efficient solar cells. Several research projects have resulted in designs, where the excess heat is used as solar thermal energy.</p><p>Unlike a solar thermal system, which has a selective surface to reduce the radiant heat loss, a CPV/T (Concentrating PhotoVoltaic/Thermal) system uses a receiver covered with solar cells with high thermal emittance.</p><p>This project analyzes whether the heat loss from the receiver can be reduced by covering parts of the receiver surface, not already covered with solar cells, with an optically selective coating. Comparing different methods of applying such a coating and the long-term stability of low cost alternatives are also part of the objectives of this project.</p><p>To calculate the heat loss reductions of the optically selective surface coating a mathematical model was developed, which takes the thermal emittances and the solar absorptances of the different surfaces into account. Furthermore, a full-size experiment was constructed to verify the theoretical predictions.</p><p>The coating results in a heat loss reduction of approximately 20 % in such a CPV/T system and one of the companies involved in the study is already changing their design to make use of the results.</p>

Time-dependent density functional theory calculations have been carried out to determine the complex first-order hyperpolarizability in the two-photon resonance region of the molecule IDS-Cab. Calculations show that three strongly absorbing states, in the ultraviolet region, are separated to the extent that no significant interference of the imaginary parts of the tensor elements of the first-order hyper-polarizability occurs. Consequently, and in contrast to experimental findings [27], no reduced imaginary parts of the first-order hyperpolarizability in the two-photon resonant region can be seen.

This thesis studies electron spin phenomena in lateral semi-conductor quantum dots/anti-dots and electron conductance in graphene nanoribbons by numerical modelling. In paper I we have investigated spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. Results in this model were found consistent with experimental data and suggest that spin-degeneracy is lifted inside the dot – even at zero magnetic field. Similar systems were also studied with electron-electron effects incorporated via Density Functional Theory (DFT) in the Local Spin Density Approximation (LSDA) in paper II and III. In paper II we found a significant spin-polarisation in the dot at low electron densities. As the electron density increases the spin polarisation in the dot gradually diminishes. These findings are consistent with available experimental observations. Notably, the polarisation is qualitatively different from the one found in the Hubbard model. Paper III investigates spin polarisation in a quantum wire with a realistic external potential due to split gates and a random distribution of charged donors. At low electron densities we recover spin polarisation and a metalinsulator transition when electrons are localised to electron lakes due to ragged potential profile from the donors. In paper IV we propose a spin-filter device based on resonant backscattering of edge states against a quantum anti-dot embedded in a quantum wire. A magnetic field is applied and the spin up/spin down states are separated through Zeeman splitting. Their respective resonant states may be tuned so that the device can be used to filter either spin in a controlled way. Paper V analyses the details of low energy electron transport through a magnetic barrier in a quantum wire. At sufficiently large magnetisation of the barrier the conductance is pinched off completely. Furthermore, if the barrier is sharp we find a resonant reflection close to the pinch off point. This feature is due to interference between a propagating edge state and quasibond state inside the magnetic barrier. Paper VI adapts an efficient numerical method for computing the surface Green’s function in photonic crystals to graphene nanoribbons (GNR). The method is used to investigate magnetic barriers in GNR. In contrast to quantum wires, magnetic barriers in GNRs cannot pinch-off the lowest propagating state. The method is further applied to study edge dislocation defects for realistically sized GNRs in paper VII. In this study we conclude that even modest edge dislocations are sufficient to explain both the energy gap in narrow GNRs, and the lack of dependance on the edge structure for electronic properties in the GNRs.

QC 20100726

This thesis presents briefly the application of quantum mechanics on systems ofchemical interest, i.e., the field of quantum chemistry and computational chemistry.The molecules of the ten-electron series, hydrogen fluoride, water, ammonia,methane and neon, are taken as computational examples. Some applications ofquantum chemistry are then shown on these systems, with emphasis on the natureof the molecular bonds. Conceptual methods of chemistry and theoreticalchemistry for these systems are shown to be valid with some restrictions, as theseinterpretations does not represent physically measurable entities.The orbitals and orbital energies of neon is studied, the binding van der Waalsinteractionresulting in a Ne2 molecule is studied with a theoretical bond lengthof 3.23 °A and dissociation energy of 81.75 μEh. The equilibrium geometries ofFH, H2O, NH3 and CH4 are studied and the strength and character of the bondsinvolved evaluated using bond order, dipole moment, Mulliken population analysisand L¨owdin population analysis. The concept of electronegativity is studied in thecontext of electron transfer. Lastly, the barrier of inversion for NH3 is studied, withan obtained barrier height of 8.46 mEh and relatively constant electron transfer.

This thesis focuses on chaotic stationary waves, both quantum mechanical and classical. In particular we study different statistical properties regarding thesewaves, such as energy transport, intensity (or density) and stress tensor components. Also, the methods used to model these waves are investigated, and somelimitations and specialities are pointed out.

More and more travellers use navigation-aid software to find the way while driving. Most of todays systems use static maps with little or no information at all about currently yeilding roads conditions and disturbances in the network. It is desirable for such services in the future to include information about road works, accidents, surface conditions and other types of events that affects what route is currently the best. It is also desirable to notify users about changes in the prerequisites of the chosen route after they have started their trip. This thesis investigates methods to include dynamic traffic information in route calculations and notifying users when the characteristics change for their chosen route. The thesis utilizes dynamic traffic information from The Swedish Road Agencys (Vägverket) central database for traffic information, TRISS and calculates affected clients with help of positioning through the GSM network.

<p>Time-dependent density functional theory calculations have been carried out to determine the complex first-order hyperpolarizability in the two-photon resonance region of the molecule IDS-Cab. Calculations show that three strongly absorbing states, in the ultraviolet region, are separated to the extent that no significant interference of the imaginary parts of the tensor elements of the first-order hyper-polarizability occurs. Consequently, and in contrast to experimental findings [27], no reduced imaginary parts of the first-order hyperpolarizability in the two-photon resonant region can be seen.</p>

In this thesis we explore in particular the dynamics of a special type of quasi-particle in pi-conjugated materials termed polaron, the origin of which is intimately related to the strong interactions between the electronic and the vibrational degrees of freedom within these systems. In order to conduct such studies with the particular focus of each appended paper, we simultaneously solve the time-dependent Schrödinger equation and the lattice equation of motion with a three-dimensional extension of the famous Su-Schrieffer-Heeger (SSH) model Hamiltonian. In particular, we demonstrate in Paper I the applicability of the method to model transport dynamics in molecular crystals in a region were neither band theory nor perturbative treatments such as the Holstein model and extended Marcus theory apply. In Paper II we expand the model Hamiltonian to treat the revolution of phenylene rings around the sigma-bonds and demonstrate the great impact of stochastic ring torsion on the intra-chain mobility in conjugated polymers using poly[phenylene vinylene] (PPV) as a model system. Finally, in Paper III we go beyond the original purpose of the methodology and utilize its great flexibility to study radiationless relaxations of hot excitons. / Report code: LiU-TEK-LIC-2007:4.