相关论文: Determination of Molecules Distribution of the Imp…
The dispersion process in particulate porous media at low saturation levels takes place over the surface elements of constituent particles and, as we have found previously by comparison with experiments, can be accurately described by…
Raman spectroscopies are carried out by the Method polarizable examinations of the lattice oscillations of p-chloronitrobenzene at temperature 293 K. The led matching of spectrums of p-chloronitrobenzene with p-bromochlorobenzene and…
In this article we consider static Bayesian parameter estimation for partially observed diffusions that are discretely observed. We work under the assumption that one must resort to discretizing the underlying diffusion process, for…
Newly observed enhanced linear optical features of fullerene solutions (Raman scattering and one-photon luminescence) are due to clusterization of fullerene molecules themselves as well as their composites with solvent molecules. A direct…
A material's properties and functionalities are determined by its chemical constituents and the atomic arrangement in which they crystallize. For the recently discovered pigment YIn$_{1-x}$Mn$_x$O$_3$, for instance, it had been surmised…
In nature, structural colour generation is based on discriminative light propagation associated with physical structures in the range of the wavelengths of light1. These iridescent structural colours are of immense significance2 but not…
We study the Kondo effect of spin-1/2 magnetic impurities in gapped Z2 spin liquids on two-dimensional lattices. We find that if the impurity is placed at a high-symmetry location, a nontrivial spinon fractionalization class of the impurity…
The selection rules for dipole and Raman activity can be relaxed due to local distortion of a crystalline structure. In this situation a dipole-inactive mode can become simultaneously active in Raman scattering and in dipole interaction…
A cluster consisting of many atoms or molecules may be considered, in some circustances, to be a single large molecule with a well defined polarizability. Once the polarizability of such a cluster is known, one can evaluate certain…
We propose a novel nonparametric approach for estimating the location of block boundaries (change-points) of non-overlapping blocks in a random symmetric matrix which consists of random variables having their distribution changing from one…
Information about size and shape of particles produced in various manufacturing processes is very important for process and product development because design of downstream processes as well as final product properties strongly depend on…
A nonsymmetric discontinuous Galerkin FEM with interior penalties has been applied to one-dimensional singularly perturbed reaction-diffusion problems. Using higher order splines on Shishkin-type layer-adapted meshes and certain graded…
A synoptic view on the long-established theory of light propagation in crystalline dielectrics is presented, providing a new exact solution for the microscopic local electromagnetic field thus disclosing the role of the divergence-free…
The solid-state molecular disorder of pentachloronitrobenzene (PCNB) and its role in causing anomalous dielectric properties are investigated. Normal coordinate analysis (NCA) of atomic mean-square displacement parameters (ADPs) is employed…
The paper deals with the homogenization of a linear Boltzmann equation by the means of the sigma-convergence method. Under a general deterministic assumption on the coefficients of the equation, we prove that the density of the particles…
The Density Matrix Renormalization Group (DMRG) algorithm has been a rising star for the accurate ab initio exploration of Born-Oppenheimer potential energy surfaces in theoretical chemistry. However, owing to its iterative numerical…
This work analyses how impurities and vacancies on the surface of a graphene sample affect its optical conductivity and plasmon excitations. The disorder is analysed in the self-consistent Green's function formulation and nonlocal effects…
Chemical, mechanical, thermal and/or electronic properties of bulk or low-dimensional materials can be engineered by introducing structural defects to form novel functionalities. When using particles irradiation, these defects can be…
Screening of charge impurities in graphene is analyzed using the exact solution for vacuum polarization obtained from the massless Dirac-Kepler problem. For the impurity charge below certain critical value no density perturbation is found…
In chemical processing and bioprocessing, conventional online sensors are limited to measure only basic process variables like pressure and temperature, pH, dissolved O and CO$_2$ and viable cell density (VCD). The concentration of other…