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1.
Ersan Ronak Haj Alagoz Mehmet Abdullah Ertan-Bolelli Tugba Duran Nizami Burmaoglu Serdar Algul Oztekin 《Molecular diversity》2021,25(4):2247-2259
Molecular Diversity - In the present work, a series of bisbenzazole derivatives were designed and synthesized as antiproliferative agents. The antiproliferative activity of these compounds was... 相似文献
2.
An efficient edge based data structure has been developed in order to implement an unstructured vertex based finite volume algorithm for the Reynolds-averaged Navier–Stokes equations on hybrid meshes. In the present approach, the data structure is tailored to meet the requirements of the vertex based algorithm by considering data access patterns and cache efficiency. The required data are packed and allocated in a way that they are close to each other in the physical memory. Therefore, the proposed data structure increases cache performance and improves computation time. As a result, the explicit flow solver indicates a significant speed up compared to other open-source solvers in terms of CPU time. A fully implicit version has also been implemented based on the PETSc library in order to improve the robustness of the algorithm. The resulting algebraic equations due to the compressible Navier–Stokes and the one equation Spalart–Allmaras turbulence equations are solved in a monolithic manner using the restricted additive Schwarz preconditioner combined with the FGMRES Krylov subspace algorithm. In order to further improve the computational accuracy, the multiscale metric based anisotropic mesh refinement library PyAMG is used for mesh adaptation. The numerical algorithm is validated for the classical benchmark problems such as the transonic turbulent flow around a supercritical RAE2822 airfoil and DLR-F6 wing-body-nacelle-pylon configuration. The efficiency of the data structure is demonstrated by achieving up to an order of magnitude speed up in CPU times. 相似文献
3.
We obtained the azo‐imine ligand (2,2′‐[4‐(5‐methoxy salicylidene‐4‐iminophenylazo)phenylimino]diethanol) (HL) and its Cu (II) complex (CuL) from the ethanol solution. The complex Cu(L)2 was obtained as single crystals from the CH3OH solution and structurally characterized. The electronic and photoluminescence properties of the ligand and its Cu (II) complex were investigated both in DMF solution and solid state. The oxidation and reduction behaviours of the compounds were studied in the solution and found that the redox processes are irreversible. Thermal studies show that the ligand has higher thermal stability than the CuL complex. Single crystals of the complex were obtained from slow evaporation of a DMF solution of the complex. Crystals of the complex showed a diffraction pattern; however, the structure of the complex was able to be solved. 相似文献
4.
Journal of Visualization - 相似文献
5.
Overview of finite elements simulation of temperature profile to estimate properties of materials 3D-printed by laser powder-bed fusion 下载免费PDF全文
Habimana Jean Willy 李辛未 Yong Hao Tan 陈哲 Mehmet Cagirici Ramadan Borayek Tun Seng Herng Chun Yee Aaron Ong 李朝将 丁军 《中国物理 B》2020,(4):98-109
Laser powder bed fusion(LPBF),like many other additive manufacturing techniques,offers flexibility in design expected to become a disruption to the manufacturing industry.The current cost of LPBF process does not favor a try-anderror way of research,which makes modelling and simulation a field of superior importance in that area of engineering.In this work,various methods used to overcome challenges in modeling at different levels of approximation of LPBF process are reviewed.Recent efforts made towards a reliable and computationally effective model to simulate LPBF process using finite element(FE)codes are presented.A combination of ray-tracing technique,the solution of the radiation transfer equation and absorption measurements has been used to establish an analytical equation,which gives a more accurate approximation of laser energy deposition in powder-substrate configuration.When this new analytical energy deposition model is used in in FE simulation,with other physics carefully set,it enables us to get reliable cooling curves and melt track morphology that agree well with experimental observations.The use of more computationally effective approximation,without explicit topological changes,allows to simulate wider geometries and longer scanning time leading to many applications in real engineering world.Different applications are herein presented including:prediction of printing quality through the simulated overlapping of consecutive melt tracks,simulation of LPBF of a mixture of materials and estimation of martensite inclusion in printed steel. 相似文献
6.
Mehmet Senol 《理论物理通讯》2020,72(5):55003-31
In this paper, we applied the sub-equation method to obtain a new exact solution set for the extended version of the time-fractional Kadomtsev-Petviashvili equation, namely BurgersKadomtsev-Petviashvili equation(Burgers-K-P) that arises in shallow water waves.Furthermore, using the residual power series method(RPSM), approximate solutions of the equation were obtained with the help of the Mathematica symbolic computation package. We also presented a few graphical illustrations for some surfaces. The fractional derivatives were considered in the conformable sense. All of the obtained solutions were replaced back in the governing equation to check and ensure the reliability of the method. The numerical outcomes confirmed that both methods are simple, robust and effective to achieve exact and approximate solutions of nonlinear fractional differential equations. 相似文献
7.
Reyhan Ozdogan Ozgun Daglar Hakan Durmaz Mehmet Atilla Tasdelen 《Journal of polymer science. Part A, Polymer chemistry》2019,57(22):2222-2227
In this study, we describe the preparation and characterization of a new class of thermoset hybrid networks containing aliphatic polyester and polyhedral oligomeric silsesquioxanes (POSS). The copper‐free 1,3‐dipolar cycloaddition click reaction of internal alkyne functionalized aliphatic polyester and multifunctional azido POSS with different concentrations led to highly crosslinked thermoset networks. The click reactions performed under ambient conditions (i.e., in tetrahydrofuran at room temperature for 1 day) in the absence of any catalyst. The chemical composition of hybrid networks and homogenous distribution of POSS molecules were confirmed by Fourier transform infrared spectroscopy and scanning electron microscopy with energy dispersive spectroscopy. The swelling ratios of hybrid networks were commonly decreased by increasing POSS‐N3 content and by changing polar solvents to apolar solvents. Thermogravimetric analysis results demonstrated that the thermal stability of hybrid networks increased with higher POSS feeding ratio. Tensile tests were applied to evaluate the mechanical properties of hybrid networks. Compared to neat aliphatic polyester, the mechanical properties of hybrid networks significantly improved. For instance, the tensile strength were enhanced from 5 MPa to 19 MPa by increasing the concentration of azido functionalized POSS from 10 to 40. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019 , 57, 2222–2227 相似文献
8.
Abdul Q. Ramle Asli Karakas Abdul K. M. Arof Mustafa Karakaya Mehmet Taser Aysun Gozutok Chee Chin Fei Nurhidayatullaili M. Julkapli Wan J. Basirun 《Journal of heterocyclic chemistry》2020,57(10):3566-3573
Two new macrocyclic dibenzotetraaza[14]annulene (DBTAA) compounds with indolenine ( 5 ) and pyridoindolenine ( 6 ) moieties were synthesized and characterized by spectroscopy. Both DBTAAs exhibit strong UV-Vis absorption properties in the Soret band region. The theoretical second-order nonlinear optical property, electric dipole moment (μ), dispersion-free dipole polarizability (α) and first hyper-polarizability values were calculated by density functional theory and time dependent density functional theory. The ab-initio quantum mechanical calculation by time-dependent Hartree-Fock method was utilized to investigate the dynamic dipole polarizabilities, dynamic second-order, static, and dynamic third-order (γ) hyper-polarizabilities of the DBTAAs. The configuration interaction technique of all doubly occupied molecular orbitals possesses theoretically defined single-photon absorption (OPA) specifications for the examined structures. The computed maximum OPA wavelengths on both macrocyclic compounds coincide with the preceding measurement outcomes. 相似文献
9.
Journal of Inclusion Phenomena and Macrocyclic Chemistry - Newly phthalocyanine derivative which carries 2,6-dimethoxyphenoxy bioactive groups as tetrakis from non-peripheral positions of the... 相似文献
10.
A platform based on praseodymium doped dysprosium oxide-carbon nanofibers modified electrode was constructed for the simultaneous determination of SY and TAR. SEM, EDX and XRD techniques were utilized for characterizing the proposed material. The voltammetric behaviour and properties of SY and TAR were gradually improved at materials in order from CNFs to Dy2O3−CNFs and Pr6O11@Dy2O3−CNFs. The working range was found to be 1.0×10−9–3.5×10−8 M and 1.5×10−9–4.0×10−8 M for SY and TAR, respectively. The value of LOD was 3.12×10−10 M and 5.35×10−10 M for SY and TAR, respectively. The platform (Pr6O11@Dy2O3−CNFs/GCE) was successfully applied to the electroanalysis of samples. 相似文献