A nonnormal look at polychoric correlations: modeling the change in correlations before and after discretization

Two algorithms for establishing a connection between correlations before and after ordinalization under a wide spectrum of nonnormal underlying bivariate distributions are developed by extending the iteratively found normal-based results via the power polynomials. These algorithms are designed to compute the polychoric correlation when the ordinal correlation is specified, and vice versa, along with the distributional properties of latent, continuous variables that are subsequently ordinalized through thresholds dictated by the marginal proportions. The method has broad applicability in the simulation and random number generation world where modeling the relationships between these correlation types is of interest.     

Half-Metallic Characteristic in the New Full–Heusler SrYO2 (Y = Sc,Ti, V,and Cr)

Physics of the Solid State - Half-metallic properties of SrYO2 (Y = Sc, Ti, V, and Cr) full-Hensler compounds were studied using full-potential linearized augmented plane wave method based on...     

Half-metallicity characteristic at zincblende CrSb(0 0 1) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1)

Electronic and magnetic properties of the zincblende CrSb(0 0 1) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1) semiconductors are studied within the framework of the density-functional theory using the FPLAPW+lo approach. We found that the Cr-terminated surfaces retain the half-metallic character, while the half-metallicity is destroyed for the Sb-terminated surfaces due to surface states, which originate from p electrons. The phase diagram obtained through the ab-initio atomistic thermodynamics shows that at phase transition has occurred. Also the half-metallicity character is preserved at both CrSb/GaSb and CrSb/InAs interfaces. The conduction band minimum (CBM) of CrSb in the minority spin case lies about 0.63 eV above that of InAs, suggesting that the majority spin can be injected into InAs without being flipped to the conduction bands of the minority spin. On the other hand the CrSb/GaSb interface has a greater valence band offset (VBO) compared with the CrSb/InAs interface and the minority electrons have lower contribution in the injected currents and hence more efficient spin injection into the GaSb semiconductor. Thus the CrSb/GaSb and CrSb/InAs heterojunctions can be useful in the field of spintronics.     

The oscillatory behavior, static and dynamic analyses of a micro/nano gyroscope considering geometric nonlinearities and intermolecular forces

The nonlinear dynamic and static deflection of a micro/nano gyroscope under DC voltages and base rotation are investigated. The gyroscope undertakes two cou- pled bending motions along the drive and sense directions and subjected to electrostatic actuations and intermolecular forces. The nonlinear governing equations of motion for the system with the effect of electrostatic force, intermolecular tractions and base rotation are derived using extended Hamilton principle. Under constant voltage, the gyroscope finds the preformed shape. First, the deflection of the rnicro/nano gyroscope under electrostatic forces is obtained by static and dynamic analyses. Furthermore, the static and dynamic in- stability of the system are investigated. Afterward the oscillatory behavior of the pre-deformed micro/nano gyroscope around equilibrium is studied. The effects of intermolecular and nonlinear parameters on the static and dynamic de- flection, natural frequencies and instability of the micro/nano gyroscope are studied. The presented model can be used to exactly determine static and the dynamic behavior of vibratory micro/nano gyroscopes.     

Dynamic Analysis of Vibrating Systems with Nonlinearities

The max-min approach is applied to mathematical models of some nonlinear oscillations.The models are regarding to three different forms that are governed by nonlinear ordinary differential equations.In this context,the strongly nonlinear Duffing oscillator with third,fifth,and seventh powers of the amplitude,the pendulum attached to a rotating rigid frame and the cubic Duffing oscillator with discontinuity are taken into consideration.The obtained results via the approach are compared with ones achieved utilizing other techniques.The results indicate that the approach has a good agreement with other well-known methods.He's max-min approach is a promising technique and can be successfully exerted to a lot of practical engineering and physical problems.     

Optical solitons for a family of nonlinear ($$$$)-dimensional time-space fractional Schrödinger models

In this paper, the sine–cosine method is employed to construct exact solutions of the space-time fractional (\(1+1\))-dimensional nonlinear Schrödinger models. Many new families of exact traveling wave solutions of these models are successfully obtained. It is shown that the proposed method provides a more powerful mathematical tool for solving nonlinear space-time fractional evolution equations in mathematical physics.     

Efficient model order reduction for dynamic systems with local nonlinearities

In the nonlinear structural analysis, the nonlinear effects are commonly localized and the rest of the structure behaves in a linear manner. Considering this fact, this research work proposes a harmonic balance solution in order to determine the nonlinear response of the structures. The solution is simplified by using an exact dynamic reduction along with the modal expansion technique. This novel approach, which is applicable to both discrete and continuous systems, converts the system equations of motion in each harmonic to a small set of nonlinear algebraic equations. The full set of system equations is reduced to a discrete system with a few generalized degrees of freedom (DOFs) confined to the localized nonlinear regions. The resultant reduced order model is shown to be accurate enough for determining the periodic response. To demonstrate the capability of the proposed method, numerical case studies for continuous and discrete systems, including systems with internal resonance, have been studied and the outcomes are validated with benchmark studies. In addition, the method is applied in the identification process of an experimental test setup with unknown frictional support parameters, and the results are presented and discussed.     

First principles study of half-metallic ferromagnetism in zincblende Cd1−xVxSe

The structural, electronic and magnetic properties of zincblende (ZB) Cd_1?xV_xSe for different values of x were investigated using the full-potential linearized augmented plane wave plus local orbital (FPLAPW+lo) method based on spin-polarized density functional theory (DFT). It was confirmed that for all values of x, the ferromagnetic (FM) state is more stable than antiferromagnetic (AFM) state. The results show that Cd_0.25V_0.75Se and Cd_0.5V_0.5Se compounds exhibit a half-metallic (HM) characteristic while Cd_0.75V_0.25Se has nearly a HM nature. The obtained HM band gaps with EV-GGA have been considerably improved with respect to PBE-GGA scheme. The analysis of density of states (DOSs) curves confirms the hybridization between V d and Se p states in all compounds. The total magnetic moments of Cd_0.25V_0.75Se and Cd_0.5V_0.5Se compounds are 3μ_B (integer values), confirming their HM characteristic. Finally, the robustness of half-metallicity with changing the lattice parameters of Cd_1?xV_xSe alloys was discussed.     

Subharmonics analysis of nonlinear flexural vibrations of piezoelectrically actuated microcantilevers

Using the method of multiple scales, an extensive frequency response and subharmonic resonance analysis of the equations of motion governing the nonlinear flexural vibrations of piezoelectrically actuated microcantilevers is performed. Such comprehensive understanding of the nonlinear response and subharmonics analysis of these microcantilevers is, indeed, justified by the applications of piezoelectrically actuated microcantilevers that are increasingly becoming popular in many science and engineering areas including scanning force microscopy, biosensors, and microactuators. Along this line, the method of multiple scales is used to derive the 2× and 3× subharmonic resonances appearing in nonlinear flexural vibrations of a piezoelectrically actuated microcantilever. An experimental examination is performed in order to verify the analytical results. The analytical and experimental results yield the same system response for the fundamental frequency. In addition, the experimental results demonstrate the presence of subharmonic resonances that are supported by numerical simulations of the equations of motion. The experimental mode shapes of these subharmonic frequencies are also measured and compared with fundamental frequency.     

The molecular structure of tetra-tert-butyldiphosphine: an extremely distorted, sterically crowded molecule

The molecular structure of tetra-tert-butyldiphosphine has been determined in the gas phase by electron diffraction using the new DYNAMITE method and in the crystalline phase by X-ray diffraction. Ab initio methods were employed to gain a greater understanding of the structural preferences of this molecule in the gas phase, and to determine the intrinsic P-P bond energy, using recently described methods. Although the P-P bond is relatively long [GED 226.4(8) pm; X-ray 223.4(1) pm] and the dissociation energy is computed to be correspondingly small (150.6 kJ mol(-1)), the intrinsic energy of this bond (258.2 kJ mol(-1)) is normal for a diphosphine. The gaseous data were refined using the new Edinburgh structure refinement program ed@ed, which is described in detail. The molecular structure of gaseous P(2)Bu(t)(4) is compared to that of the isoelectronic 1,1,2,2-tetra-tert-butyldisilane. The molecules adopt a conformation with C(2) symmetry. The P-P-C angles returned from the gas electron diffraction refinement are 118.8(6) and 98.9(6) degrees, a difference of 20 degrees, whilst the C-P-C angle is 110.3(8) degrees. The corresponding parameters in the crystal are 120.9(1), 99.5(1) and 109.5(1) degrees. There are also large deformations within the tert-butyl groups, making the DYNAMITE analysis for this molecule extremely important.