First theoretical probe for alkynyl bridged thiophene modified coumarin nonlinear optical materials with D-π-A and A-π-D-π-A structures

First-principles exploration is very important to molecular design. In this study, geometric structure, intramolecular charge transfer (ICT), energy levels, polar moment, and ultraviolet–visible (UV–Vis) spectroscopy of eight novel and different alkynyl bridged thiophene modified coumarin nonlinear optical molecules with [Formula: see text]-[Formula: see text]-[Formula: see text] and [Formula: see text]-[Formula: see text]-[Formula: see text]-[Formula: see text]-[Formula: see text] structures had been studied by density-functional theory (DFT) calculations within B3LYP hybrid functional using 6-31 [Formula: see text], [Formula: see text] Gaussian type molecular-orbital basis set. This has guiding significance for the design of nonlinear optical molecules and the development of coumarin-based photoelectric molecules.

HOLDITCH-TYPE THEOREMS FOR THE POLAR MOMENT OF INERTIA UNDER THE 1-PARAMETER CLOSED PLANAR HOMOTHETIC MOTION

In this study, during the 1-parameter closed homothetic motion, the Holditch-Type Theorems are presented for the polar moments of inertia of the closed orbit curves of three non-collinear points.

Tributyltin perturbs femoral cortical architecture and polar moment of inertia in rat

Background Tributyltin, a well-known endocrine disruptor, is widely used in agriculture and industry. Previous studies have shown that tributyltin could cause deleterious effects on bone health by impairing the adipo-osteogenic balance in bone marrow. Methods To investigate further the effects of tributyltin on bone, weaned male SD rats were treated with tributyltin (0.5, 5 or 50 μg·kg− 1) or corn oil by gavage once every 3 days for 60 days in this study. Then, we analyzed the effects of tributyltin on geometry, the polar moment of inertia, mineral content, relative abundances of mRNA from representative genes related to adipogenesis and osteogenesis, serum calcium ion and inorganic phosphate levels. Results Micro-computed tomography analysis revealed that treatment with 50 μg·kg− 1 tributyltin caused an obvious decrease in femoral cortical cross sectional area, marrow area, periosteal circumference and derived polar moment of inertia in rats. However, other test results showed that exposure to tributyltin resulted in no significant changes in the expression of genes detected, femoral cancellous architecture, ash content, as well as serum calcium ion and inorganic phosphate levels. Conclusions Exposure to a low dose of tributyltin from the prepubertal to adult stage produced adverse effects on skeletal architecture and strength.

Multi-Disciplinary Optimization of a Turbocharger Compressor

The design of a turbocharger compressor must meet aerodynamic performance requirements, operate within specified stress and vibration limits, and respond quickly to changes in operating conditions. Design optimization must therefore include static, thermal and modal analysis (including weight and polar moment of inertia calculations) along with aerodynamic analysis (CFD). In some cases, a design optimized for aerodynamic performance only can be optimized separately to meet structural goals, using impeller backface geometry, bore radius and fillet radius inputs, which generally do not impact aerodynamic performance. If, however, impeller geometry inputs such as R1t-R1h, R2, B2 influence both aerodynamic and structural analysis, a coupled optimization is required, and each design must have both CFD and FEA analyses. In this study, a radial compressor with a vaneless diffuser at a single operating point is considered. The aerodynamic parameters for the impeller (BETA1H, BETA1S, BETA2S, main blade count, B2, R2, R1t) and diffuser (Pinch, R3/R2, Rex/R2) comprise in total 10 independent aerodynamic inputs. The aerodynamic objectives are to meet the operating point pressure ratio target and to maximize efficiency. The structural parameters for the backface (shoulder position, shoulder radius, web thickness at outer diameter (OD), OD angle, shoulder angle), bore radius and fillet radius comprise in total 7 independent structural inputs. The main structural objectives are to minimize the polar moment of inertia, and satisfy constraints on allowable maximum stress, deflection and the frequencies of blade vibration (flapping) modes. Successful multi-disciplinary optimization requires both CFD and FEA analysis to complete successfully for each trial design. Initial test runs of the optimization resulted in many geometries for which a valid CFD grid or FEA grid could not be generated. The high percentage of failed runs in the initial DOE impeded the construction of a viable surrogate model. A comprehensive investigation of all failure modes led to prescreening of both CFD and FEA geometry generation, using input constraints. The failure rate was greatly reduced as a result, leading to an improved search. Prior to the geometry screening, the optimizer found a large Pareto frontier between the efficiency and polar moment of inertia objectives. Following the screening, the efficiency and IP objectives became more cooperative. The optimization was carried out using Concepts NREC tools AxCent® and TurboOPT II™, NUMECA Fine/Turbo, and ESTECO modeFRONTIER®.

The nutations of a rigid Mars

<p>The nutations of Mars are about to be estimated with unprecedented accuracy (a few milliarcseconds) with the radioscience experiments RISE (Rotation and Interior Structure Experiment, Folkner et al. 2018) and LaRa (Lander Radioscience, Dehant et al. 2020) of the InSight and ExoMars 2020 missions, allowing to detect the contributions due to the liquid core and tidal deformations and to constrain the interior of Mars.</p><p>To properly identify the non-rigid contribution, an accurate precession and nutation model for a rigidly behaving Mars is needed. We develop such a model, based on the Torque approach, and include the forcings by the Sun, Phobos, Deimos, and the other planets of the Solar System, as well as geodetic precession and nutations. Both semi-analytical developments (for the Solar and planetary torques) and analytical solutions (for Phobos and Deimos torques and the geodetic precession and nutations) are considered.</p><p>We identify 43 nutation terms with an amplitude above the chosen truncation criterion of 0.025 milliarcseconds in prograde and/or retrograde nutations. Uncertainties related to modelling choices are negligible in comparison to the uncertainty coming from the observational uncertainty on the current determination of the precession rate of Mars (7608.3+/-pm2.1 mas/yr, Konopliv et al. 2016). Our model predicts a dynamical flattening H<sub>D</sub>=(C-A)/C=0.00538017+/-0.00000148 and a normalized polar moment of inertia C/MR<sup>2</sup>=0.36367+/-0.00010 for Mars.</p><p>References:<br>Folkner et al., 2018. doi: 10.1007/s11214-018-0530-5. <br>Dehant et al., 2020. doi: 10.1016/j.pss.2019.104776.<br>Konopliv et al., 2016. doi: 10.1016/j.icarus.2016.02.052.</p>

Development of methodology for calculation of discontinuous circular welds in torsion

The main criterion for the performance of welds is the strength. The least durable are the corner joints used to perform various types of welded joints. In the literature, the methods of calculating the strength of welded joints with solid seams are considered in sufficient detail. Methods of calculation of connection interrupted sutures absent. In this case, the greatest difficulty is the calculation of connections using circular intermittent seams, which are often performed in welded drums and pulleys. They work on torsion. Therefore, the development of methods for calculating circular intermittent seams for torsion is quite important. Shear stresses in welds from torque are determined depending on the value of the polar moment of resistance of its dangerous section. When determining the polar moment of resistance of the dangerous section of a circular discontinuous seam, it was represented by a set of sections in the form of a sector of a circular ring. The method of calculation of the polar moment of resistance of the rotated dangerous section of a circular discontinuous weld, which takes into account the relative length of the weld areas and their number, is proposed, as well as the method of accurate and approximate calculation of shear stresses in the weld.

Changes in bone density and bone quality caused by single fasting for 96 hours in rats

Background Young women occasionally engage in dietary restrictions accompanied by fasting for the purpose of losing weight, but such restrictions have various effects on body functions. The recent increase in the number of people suffering from osteoporosis has become a major social problem mainly in industrialized countries.Therefore, we think it is important to understand the effects of fasting on bone vulnerability, especially to bone quality. Methods Animals used male Wister rats weighing 130 g (6 weeks of age), and were divided into a control group (n = 5) and a fasting group (n = 6). The experimental period was 14 days, the control group had ad libitum food throughout the experimental period, the fasted group was fasted for 4 days, and than, had ad libitum food for 10 days. In this study, parameters related to bone fragility due to three-dimensional bone architecture were determined on Contrast enhanced micro-CT images of the lumbar spine and were used as a method for the evaluation of bone quality. In addition, a time-course observation of each individual was carried out during the fasting period and later upon resuming food intake. Cross-sectional images of all vertebrae were obtained from radiographic computed tomography and were analyzed by using Latheta software ver. 3.0 (Hitachi-Aloka Medical, Nagasaki, Japan). The region of interest that was misrecognized in each cross-sectional image was made consistent with the anatomical structure by carrying out corrections manually and by identifying the cortical bone areas and cancellous bone areas. Results Our findings showed that while single fasting for 96 h did not cause any major change in the macroscopic morphology of bone, it caused a marked decrease in bone density. In addition, the minimum cross-sectional moment, which indicated the “strength against bending” as well as the polar moment that indicated the “strength against torsion” were both lower than in non-fasted rats. Further, after resumption of feeding, bone mineral content in the fasting group recovered rapidly and starting at day 4 after resumption of feeding, there was no difference with the control group. On the other hand, the values of the minimum cross-sectional moment and polar moment did not recover, and the difference with the control group increased during the feeding period. Discussion On the basis of this study, the authors estimate that the fasting-induced decrease in bone minimum cross-sectional moment and polar moment may have been due to changes affecting some factors involved in bone quality, and thus could be useful as a parameter in future studies aimed at elucidating bone quality. At least, in the case where bone change accompanied with a change in macroscopic distribution of mineral components occurs, the values of minimum cross-sectional moment and polar moment are considered to be bone parameters that will provide valuable information to elucidate bone quality.