Linköping University

About: Linköping University is a education organization based out in Linköping, Sweden. It is known for research contribution in the topics: Population & Health care. The organization has 15671 authors who have published 50013 publications receiving 1542189 citations.

Prediction Error Estimation Methods

Abstract: This contribution describes a common family of estimation methods for system identification, viz, prediction-error methods. The basic ideas behind these methods are described. An overview of typica ...

Asymptotic variance expressions for identified black-box transfer function models

Abstract: Identification of black-box transfer function models is considered. It is assumed that the transfer function models possess a certain shift-property, which is satisfied for example by all polynomial-type models. Expressions for the variances of the transfer function estimates are derived, that are asymptotic both in the number of observed data and in the model orders. The result is that the joint covariance matrix of the transfer functions from input to output and from driving white noise source to the additive output disturbance, respectively, is proportional to the inverse of the joint spectrum matrix for the input and driving noise multiplied by the spectrum of the additive output noise. The factor of proportionality is the ratio of model order to number of data. This result is independent of the particular model structure used. The result is applied to evaluate the performance degradation due to variance for a number of typical model uses. Some consequences for input design are also drawn.

Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

Abstract: Computer simulations allow for the investigation of many materials properties and processes that are not easily accessible in the laboratory. This is particularly true in the Earth sciences, where the relevant pressures and temperatures may be so extreme that no experimental techniques can operate at those conditions. Computer modeling is often the only source of information on the properties of materials that, combined with indirect evidence (such as seismic data), allows one to discriminate among competing planetary models. Many computer simulations are performed using effective interatomic potentials tailored to reproduce some experimentally observed properties of the materials being investigated. The remoteness of the physically interesting conditions from those achievable in the laboratory, as well as the huge variety of different atomic coordination and local chemical state occurring in the Earth interior, make the dependability of semi-empirical potentials questionable. First-principles techniques based on density-functional theory (DFT) (Hohenberg and Kohn 1964; Kohn and Sham 1965) are much more predictive, not being biased by any prior experimental input, and have demonstrated a considerable accuracy in a wide class of materials and variety of external conditions. The importance of thermal effects in the range of phenomena interesting to the Earth sciences makes a proper account of atomic motion essential. Traditionally, this is achieved using molecular dynamics techniques which have been successfully combined with DFT in the first-principles molecular dynamics technique of Car and Parrinello (1985). Well below the melting temperature, the numerical efficiency of molecular dynamics is limited by the lack of ergodicity, which would require long simulation times, and by the importance of long-wavelength collective motions (phonons), which would require large simulation cells. Both difficulties are successfully dealt with in the quasi-harmonic approximation (QHA) where the thermal properties of solid materials are traced back to those of a system of non-interacting …

Polymer solar cells based on a low-bandgap fluorene copolymer and a fullerene derivative with photocurrent extended to 850 nm

Abstract: Polymer solar cells were fabricated from a low band-gap alternating polyfluorene copolymer, APFO-Green2, combined with [6,6]-phenyl-C61-butyric acid Me ester (PCBM), from org. solns. External quantum efficiencies of the solar cells show an onset at 850 nm and a peak of >10% located at 650 nm, which corresponds to the extended absorption spectrum of the polymer. A photocurrent of 3.0 mA/cm2, photovoltage of 0.78 V, and power conversion efficiency of 0.9% were obtained with solar cells based on this new low-bandgap polymer under an illumination of AM 1.5 (1000 W/m2) from a solar simulator. [on SciFinder (R)]