We define the concept of partiality to cope with partial availability of arguments and results of program steps. To this end, relation algebras are investigated for which, in addition to the identity , a specific type of an ordering E ⊇ is given in order to model increasing degrees of availability. It turns out that functions regulating non-strict transfer of partialities in processes are latti...

The stability of surface structure and space-charge distribution in free TiO2 nanoparticles are investigated for both rutile and anatase phases using a variable-charge interaction potential in which atomic charges vary dynamically depending on their environment. We find the dynamic charge transfer: ~i! enhances atomic diffusion at surfaces of the spherical nanoparticles at high temperatures; an...

The damage caused by collision cascades in irradiated materials forms the initial conditions for longer term microstructural evolution. The exchange of energy between electrons and ions during cascades can significantly affect this damage. Models for incorporating this exchange within classical molecular dynamics (MD) simulations exist, but most approximate the ion-electron energy transfer via ...

Cu is known as one of the harmful tramp elements in recycled Fe. In the present work, the effects of Cu on Fe grain boundary (GB) embrittlement have been investigated by first-principles tensile tests. Because the Fe-Cu bonds are rather isotropic and the effects due to their difference in atomic size are negligibly small, the GB atomic structure prior to straining is little changed by Cu segreg...

The multipolar atom model, constructed by transferring the charge-density parameters from an experimental or theoretical database, is considered to be an easy replacement of the widely used independent atom model. The present study on a new crystal structure of quercetin monohydrate [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate], a plant flavonoid, determined by X-ray d...

Introduction Natural and artificial radionuclides are the main sources of human radiation exposure. These radionuclides, which are present in the environment, can enter the food chain. Rice is one of the most important food components in Iran. Radionuclides by transferring from soil to rice and entering the human body can affect human health. Materials and Methods Fourteen samples of different ...

— Using a master-equation approach for the description of coherent and incoherent dynamics in ‘artificial atoms and molecules’, we present a theoretical analysis of situations where intense laser fields lead to pronounced renormalizations of carrier states. Such enhanced light-matter interactions allow for the solid-state implementation of effects hitherto only observable in atomic systems. Two...

Optical properties of ensembles of three-level quantum emitters coupled to plasmonic systems are investigated employing a self-consistent model. It is shown that the stimulated Raman adiabatic passage (STIRAP) technique can be successfully adopted to control optical properties of hybrid materials with collective effects present and playing an important role in light-matter interactions. We cons...

Two internal hyperfine states of a Bose-Einstein condensate in a dilute magnetically trapped gas of 87Rb atoms are strongly coupled by an external field that drives Rabi oscillations between the internal states. Due to their different magnetic moments and the force of gravity, the trapping potentials for the two states are offset along the vertical axis, so that the dynamics of the internal and...

We discuss theoretically and demonstrate experimentally the robustness of the adiabatic sum frequency conversion method. This technique, borrowed from an analogous scheme of robust population transfer in atomic physics and nuclear magnetic resonance, enables the achievement of nearly full frequency conversion in a sum frequency generation process for a bandwidth up to two orders of magnitude wi...