arXiv subjects

Aki Pulkkinen

Publications and source records attributed to Aki Pulkkinen.

22 records · Page 2Linked to original sources

arXiv2020

Perturbation Monte Carlo Method for Quantitative Photoacoustic Tomography

Quantitative photoacoustic tomography aims at estimating optical parameters from photoacoustic images that are formed utilizing the photoacoustic effect caused by the absorption of an externally introduced light pulse. This optical parameter estimation is an ill-posed inverse problem, and thus it is sensitive to measurement and modeling errors. In this work, we propose a novel way to solve the inverse problem of quantitative photoacoustic tomography based on the perturbation Monte Carlo method. Monte Carlo method for light propagation is a stochastic approach for simulating photon trajectories in a medium with scattering particles. It is widely accepted as an accurate method to simulate light propagation in tissues. Furthermore, it is numerically robust and easy to implement. Perturbation Monte Carlo maintains this robustness and enables forming gradients for the solution of the inverse problem. We validate the method and apply it in the framework of Bayesian inverse problems. The simulations show that the perturbation Monte Carlo method can be used to estimate spatial distributions of both absorption and scattering parameters simultaneously. These estimates are qualitatively good and quantitatively accurate also in parameter scales that are realistic for biological tissues.

physics.med-ph↗

arXiv2020

Correlation in noncollinear antiferromagnetic $α$-Mn

We have investigated the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to depend critically on the magnetic interactions between the Mn atoms. While the standard generalized-gradient-approximation underestimates the equilibrium volume, a more accurate treatment of the effects of electronic localization and magnetism is found to solve this longstanding problem. We capture well the complexity of the large 58 atoms per unit cell $α$-Mn system for the first time, including its charge and spin patterns and the canting of spins with respect to the average magnetization direction.

cond-mat.mtrl-sci↗

arXiv2019

Coupled Elastic-Acoustic Modelling for Quantitative Photoacoustic Tomography

Quantitative photoacoustic tomography (qPAT) is an imaging technique aimed at estimating chromophore concentrations inside tissues from photoacoustic images, which are formed by combining optical information and ultrasonic propagation. The application of qPAT as a transcranial imaging modality is complicated by shear waves that can be produced when ultrasound waves travel from soft tissue to bone. Because of this, the estimation of chromophores distributions near the skull can be problematic. In this paper, we take steps towards compensating for aberrations of the recorded photoacoustic signals caused by elastic wave propagation. With photoacoustic data simulated in a coupled elastic-acoustic domain, we conduct inversions in a purely acoustic domain. Estimation of the posterior density of the initial pressure is achieved by inversion under the Bayesian framework. We utilize the Bayesian approximation error approach to compensate for the modelling errors arising from approximating a coupled elastic-acoustic domain with a purely fluid domain. The resulting reconstructions and corresponding uncertainty estimates are then used to evaluate the posterior density of the optical absorption parameter. In the sense of the posterior uncertainty, the results show that the Bayesian approximation error approach yields a more feasible estimate for the posterior model of the initial pressure which, in turn, yields a more feasible estimate for the posterior model of the absorption coefficient.

physics.comp-ph↗

arXiv2019

First-principles study of the impact of grain boundary formation in the cathode material LiFePO4

Motivated by the need to understand the role of internal interfaces in Li migration occurring in Li-ion batteries, a first principles study of a coincident site lattice grain boundary in LiFePO4 cathode material and in its delithiated counterpart FPO4 is performed. The structure of the investigated grain boundary is obtained and the corresponding interface energy is calculated. Other properties, such as ionic charges and magnetic moments, excess free volume and the lifetime of positrons trapped at the interfaces, are determined and discussed. The results show that while the grain boundary in LiFePO4 has desired structural and bonding characteristics, the analogous boundary in FePO4 needs to be yet optimized to allow for an efficient Li diffusion study.

cond-mat.mtrl-sci↗