Theoretical study of the helio hydrogen cyanide dication HeCNH2+

The structure and stability of the helio hydrogen cyanide molecular ion, HeCNH²⁺, is investigated by standard quantum chemical methods. Single reference calculations are carried out using second-order perturbation theory (MP2), the coupled cluster expansion in the CCSD approximation, and the hybrid approach using a perturbative estimate of the triple excitation energy component designated CCSD(T). Multireference calculations using a complete active space (CASSCF) and a second-order perturbation theory estimate of correlation effects (CASPT2) are reported.     

Center-of-Mass Tomography and Wigner Function for Multimode Photon States

Tomographic probability representation of multimode electromagnetic field states in the scheme of center-of-mass tomography is reviewed. Both connection of the field state Wigner function and observable Weyl symbols with the center-of-mass tomograms as well as connection of the Grönewold kernel with the center-of-mass tomographic kernel determining the noncommutative product of the tomograms are obtained. The dual center-of-mass tomogram of the photon states are constructed and the dual tomographic kernel is obtained. The models of other generalized center-of-mass tomographies are discussed. Example of two-mode even and odd Schrödinger cat states is presented in details.     

μSR Investigation of ethyl radicals adsorbed on silica

SR spectra of the ethyl radical adsorbed on porous silica were observed in transverse and in longitudinal magnetic fields in the temperature range 190–298 K. The line widths reflect the dynamic partial averaging of the hyperfine anisotropy due to reorientation and surface diffusion.     

Optical switching and logic gates with hybrid plasmonic-photonic crystal nanobeam cavities

We propose a hybrid resonance architecture in which a plasmonic element is coupled to a silicon-on-insulator photonic crystal nanobeam cavity operating at telecom wavelengths. It benefits from the combined characteristics of the photonic cavity and the plasmonic element, and exploits the unique properties of Fano resonances resulting from interactions between the continuum and the localized cavity states. As confirmed through 3D time-domain simulations, a strong cavity mode damping by the plasmonic element offers mechanisms of controlling a probe signal propagating in the nanobeam. It makes possible to create optical switching devices and logic gates relying on any optical nonlinear effect.     

Spaces of Abstract Events

We generalize the concept of a space of numerical events in such a way that this generalization corresponds to arbitrary orthomodular posets whereas spaces of numerical events correspond to orthomodular posets having a full set of states. Moreover, we show that there is a natural one-to-one correspondence between orthomodular posets and certain posets with sectionally antitone involutions. Finally, we characterize orthomodular lattices among orthomodular posets.     

Assessment of dynamic closure for premixed combustion large eddy simulation

Turbulent piloted Bunsen flames of stoichiometric methane–air mixtures are computed using the large eddy simulation (LES) paradigm involving an algebraic closure for the filtered reaction rate. This closure involves the filtered scalar dissipation rate of a reaction progress variable. The model for this dissipation rate involves a parameter β_c representing the flame front curvature effects induced by turbulence, chemical reactions, molecular dissipation, and their interactions at the sub-grid level, suggesting that this parameter may vary with filter width or be a scale-dependent. Thus, it would be ideal to evaluate this parameter dynamically by LES. A procedure for this evaluation is discussed and assessed using direct numerical simulation (DNS) data and LES calculations. The probability density functions of β_c obtained from the DNS and LES calculations are very similar when the turbulent Reynolds number is sufficiently large and when the filter width normalised by the laminar flame thermal thickness is larger than unity. Results obtained using a constant (static) value for this parameter are also used for comparative evaluation. Detailed discussion presented in this paper suggests that the dynamic procedure works well and physical insights and reasonings are provided to explain the observed behaviour.     

A priori investigation of subgrid correlation of mixture fraction and progress variable in partially premixed flames

Subgrid correlation of mixture fraction, Z, and progress variable, c, is investigated using direct numerical dimulation (DNS) data of a hydrogen lifted jet flame. Joint subgrid behaviour of these two scalars are obtained using a Gaussian-type filter for a broad range of filter sizes. A joint probability density function (JPDF) constructed using single-snapshot DNS data is compared qualitatively with that computed using two independent β-PDFs and a copula method. Strong negative correlation observed at different streamwise locations in the flame is captured well by the copula method. The subgrid contribution to the Z–c correlation becomes important if the filter is of the size of the laminar flame thickness or larger. A priori assessment for the filtered reaction rate using the flamelet approach with independent β-PDFs and correlated JPDF is then performed. Comparison with the DNS data shows that both models provide reasonably good results for a range of filter sizes. However, the reaction rate computed using copula JPDF is found to have a better agreement with the DNS data for large filter sizes because the subgrid Z–c correlation effect is included.     

High-p(T) Tomography of d+Au and Au+Au at SPS,RHIC, and LHC

The interplay of nuclear effects on the p(T)>2 GeV inclusive hadron spectra in d+Au and Au+Au reactions at sqrt[s(NN)]=17, 200, and 5500 GeV is compared to leading order perturbative QCD calculations for elementary p+p (p+p) collisions. The competition between nuclear shadowing, Cronin effect, and jet energy loss due to medium-induced gluon radiation is predicted to lead to a striking energy dependence of the nuclear suppression/enhancement pattern in A+A reactions. We show that future d+Au data can be used to disentangle the initial and final state effects.     

Serial MR imaging of intracranial metastases after radiosurgery

Purpose: To evaluate the spatiotemporal evolution of radiosurgical induced changes both in metastases and in normal brain tissue adjacent to the lesions by serial magnetic resonance (MR) imaging. Methods and Materials: Thirty-five intracranial metastases of different primaries were treated in 25 patients by single high-dose radiosurgery. MR images acquired before radiosurgery were available in all patients. Sixty-three follow-up MR studies were performed in these patients including T₂- and contrast-enhanced T₁-weighted MR images. The average follow-up time was 9 ± 5 months (mean ± standard deviation [SD]). Based on contrast-enhanced T₁-weighted MR images, tumor response was radiologically classified in the following four groups: stable disease was assumed if the average tumor diameter after treatment did not show a tumor shrinkage of more than 50% and an increase of more than 25%, partial remission as a shrinkage of tumor size of more than 50%, a disappearance of contrast-enhancing tumor as a complete remission, and an increase of tumor diameter of more than 25% as tumor progress. Moreover, we analysed signal changes on T₂-weighted images in brain parenchyma adjacent to the enhancing metastases. Results: The overall mean survival time was 10.5 ± 7 months, with a 1-year actuarial survival rate of 40%. Stable disease, partial or complete remission of the metastatic tumor was observed in 22 patients (88%). Central or homogeneous loss of contrast enhancement appeared to be a good prognostic sign for stable disease or partial remission. This association was statistically significant (p < 0.05). Three patients (12%) suffered from tumor progression. In eight patients (32%) with stable disease or partial remission, signal changes on T₂-weighted images were observed in tissue adjacent to the contrast enhancing lesions. A progression of the high signal on T₂-weighted images was seen in seven of the eight patients between 3 and 6 months after therapy, followed by a signal regression 6–18 months after irradiation. Conclusion: MR imaging is a sensitive imaging tool to evaluate tumor response as well as the presence or absence of adjacent parenchymal changes following radiosurgery. Loss of homogeneous or central contrast enhancement on Gd-enhanced MR images appeared to be a good prognostic sign for tumor response. Tumor shrinkage seems not to be dependent on time. In addition, most cases of radiation induced changes in normal brain parenchyma observed on T₂-weighted images seem to be self limited.