Search results for "simulointi"
showing 10 items of 148 documents
Deviation of H− beam extraction simulation model
2018
Negative hydrogen ion source extraction system development is dependent on accurate and fast simulation methods for modelling the behaviour of ion and electron beams. Traditionally this type of work has been done using ray-tracing extraction codes, such as IBSimu. The plasma extraction model in IBSimu has been observed to under-estimate the charge density near the plasma sheath, leading to incorrect prediction of the current at which the system produces the optimum emittance. It is suspected that this deviation results from the approximations made by the model, neglecting the magnetic field and collisional effects near the sheath region. Results and comparisons to simulations are presented …
Modeling of Dead Wood Potential Based on Tree Stand Data
2020
Here we present a framework for identifying areas with high dead wood potential (DWP) for conservation planning needs. The amount and quality of dead wood and dying trees are some of the most important factors for biodiversity in forests. As they are easy to recognize on site, it is widely used as a surrogate marker for ecological quality of forests. However, wall-to-wall information on dead wood is rarely available on a large scale as field data collection is expensive and local dead wood conditions change rapidly. Our method is based on the forest growth models in the Motti forest simulator, taking into account 168 combinations of tree species, site types, and vegetation zones as well as …
Value of information in multiple criteria decision making: an application to forest conservation
2019
Abstract Developing environmental conservation plans involves assessing trade-offs between the benefits and costs of conservation. The benefits of conservation can be established with ecological inventories or estimated based on previously collected information. Conducting ecological inventories can be costly, and the additional information may not justify these costs. To clarify the value of these inventories, we investigate the multiple criteria value of information associated with the acquisition of improved ecological data. This information can be useful when informing the decision maker to acquire better information. We extend the concept of the value of information to a multiple crite…
Prospects and challenges for computer simulations of monolayer-protected metal clusters
2021
Precise knowledge of chemical composition and atomic structure of functional nanosized systems, such as metal clusters stabilized by an organic molecular layer, allows for detailed computational work to investigate structure-property relations. Here, we discuss selected recent examples of computational work that has advanced understanding of how these clusters work in catalysis, how they interact with biological systems, and how they can make self-assembled, macroscopic materials. A growing challenge is to develop effective new simulation methods that take into account the cluster-environment interactions. These new hybrid methods are likely to contain components from electronic structure t…
Modeling mass transfer in fracture flows with the time domain-random walk method
2019
The time domain-random walk method was developed further for simulating mass transfer in fracture flows together with matrix diffusion in surrounding porous media. Specifically, a time domain-random walk scheme was developed for numerically approximating solutions of the advection-diffusion equation when the diffusion coefficient exhibits significant spatial variation or even discontinuities. The proposed scheme relies on second-order accurate, central-difference approximations of the advective and diffusive fluxes. The scheme was verified by comparing simulated results against analytical solutions in flow configurations involving a rectangular channel connected on one side with a porous ma…
Effect of a simulation-based workshop on multidisplinary teamwork of newborn emergencies: an intervention study
2015
Background: Video analyses of real-life newborn resuscitations have shown that Neonatal Resuscitation Program (NRP) guidelines are followed in fewer than 50 % of cases. Multidisciplinary simulation is used as a first-rate tool for the improvement of teamwork among health professionals. In the study we evaluated the impact of the crisis resource management (CRM) and anesthesia non-technical skills instruction on teamwork during simulated newborn emergencies. Methods: Ninety-nine participants of two delivery units (17 pediatricians, 16 anesthesiologists, 14 obstetricians, 31 midwives, and 21 neonatal nurses) were divided to an intervention group (I-group, 9 teams) and a control group (C-group…
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation
2020
Atomistic simulations of large biomolecular systems with chemical variability such as constant pH dynamic protonation offer multiple challenges in high performance computing. One of them is the correct treatment of the involved electrostatics in an efficient and highly scalable way. Here we review and assess two of the main building blocks that will permit such simulations: (1) An electrostatics library based on the Fast Multipole Method (FMM) that treats local alternative charge distributions with minimal overhead, and (2) A $λ$-dynamics module working in tandem with the FMM that enables various types of chemical transitions during the simulation. Our $λ$-dynamics and FMM implementations d…
Time-linear scaling nonequilibrium Green's function method for real-time simulations of interacting electrons and bosons. II : Dynamics of polarons a…
2022
Nonequilibrium dynamics of the open chain Holstein-Hubbard model is studied using the linear time-scaling GKBA+ODE scheme developed in Pavlyukh et al. [Phys. Rev. B 105, 125134 (2022)]. We focus on the set of parameters relevant for photovoltaic materials, i.e., a pair of electrons interacting with phonons at the crossover between the adiabatic and antiadiabatic regimes and at moderately large electron-electron interaction. By comparing with exact solutions for two corner cases, we demonstrate the accuracy of the T matrix (in the pp channel) and the second-order Fan (GD) approximations for the treatment of electronic (e−e) and electron-phonon (e-ph) correlations, respectively. The feedback …
Nonlinear dynamical model of Costas loop and an approach to the analysis of its stability in the large
2015
The analysis of the stability and numerical simulation of Costas loop circuits for highfrequency signals is a challenging task. The problem lies in the fact that it is necessary to simultaneously observe very fast time scale of the input signals and slow time scale of phase difference between the input signals. To overcome this difficult situation it is possible, following the approach presented in the classical works of Gardner and Viterbi, to construct a mathematical model of Costas loop, in which only slow time change of signal's phases and frequencies is considered. Such a construction, in turn, requires the computation of phase detector characteristic, depending on the waveforms of the…
Computational modeling of isotropic electron paramagnetic resonance spectra of doublet state main group radicals
2007
The combined use of theoretical and mathematical methods in the analysis of electron paramagnetic resonance data has greatly increased the ability to interpret even the most complex spectra reported for doublet state inorganic main group radicals. This personal account summarizes the theoretical basis of such an approach and provides an in-depth discussion of some recent illustrative examples of the utilization of this methodology in practical applications. The emphasis is on displaying the enormous potential embodied within the approach. peerReviewed