Computational investigations into heat transfer over a double wedge in hypersonic flows
Sign Up to like & getrecommendations! Published in 2019 at "Aerospace Science and Technology"
DOI: 10.1016/j.ast.2019.07.013
Abstract: Abstract Recently developed OpenFOAM application hy2FOAM is employed to predict the aerodynamic heat transfer numerically and compared with the experimental data from the University of Illinois. Mach 7 nitrogen flow at 2.1 MJ/kg stagnation enthalpy,… read more here.
Keywords: double wedge; computational investigations; heat; heat transfer ... See more keywords
Experimental and computational investigations on the effects of deep-temperature emulsion on the turning of Inconel 718 alloy
Sign Up to like & getrecommendations! Published in 2020 at "Cirp Journal of Manufacturing Science and Technology"
DOI: 10.1016/j.cirpj.2020.10.001
Abstract: Abstract Nickel-based superalloys, for instance Inconel 718, are applied in extreme conditions due to their excellent high-temperature strength. However, the same thermomechanical properties make the machining of Inconel 718 a challenge. Cutting fluids play a… read more here.
Keywords: inconel 718; temperature; temperature emulsion; experimental computational ... See more keywords
Computational investigations of S-3 structures related to a recent X-ray free electron laser study
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.08.050
Abstract: Abstract Recent free-electron laser (X-FEL) studies have suggested S 3 states with many features as expected based on previous model calculations and spectroscopy. However, in one of them there is one dramatic surprise. An hydroxide… read more here.
Keywords: computational investigations; free electron; study; electron laser ... See more keywords
Computational investigations on band structure and electronic features of chromium-based carbides and nitride Cr 3 PX (X = C and N) through the FP-APW+LO approach
Sign Up to like & getrecommendations! Published in 2017 at "Superlattices and Microstructures"
DOI: 10.1016/j.spmi.2016.11.027
Abstract: Abstract In this work, we have theoretically investigated the band structure of antiperovskite chromium-based carbides and nitrides Cr 3 PX (X = C and N) using the first-principles calculation based on the FP-APW+LO method. The principal structural… read more here.
Keywords: chromium based; based carbides; investigations band; structure ... See more keywords
Experimental and computational investigations of nonlinear frictional behavior in threaded fasteners
Sign Up to like & getrecommendations! Published in 2021 at "Tribology International"
DOI: 10.1016/j.triboint.2020.106737
Abstract: Abstract The conventional engineering design of threaded fasteners applies a linear model determining axial force from fastening torque and was found to be applicable only for vanishing inelastic deformations. Applications of the linear formula can… read more here.
Keywords: frictional behavior; threaded fasteners; experimental computational; investigations nonlinear ... See more keywords
Experimental Realization and Computational Investigations of B2S2 as a New 2D Material with Potential Applications.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c03762
Abstract: A new two-dimensional material B2S2 has been successfully synthesized for the first time and validated using first-principles calculations, with fundamental properties analyzed in detail. B2S2 has a similar structure as transition-metal dichalcogenides (TMDs) such as… read more here.
Keywords: experimental realization; investigations b2s2; potential; computational investigations ... See more keywords
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.0c05168
Abstract: Supramolecular systems (macromolecules), such as calix[n]arenes (SCn), cyclodextrins (CDs), and cucurbiturils (CBs), are promising vehicles for anticancer drugs. In this work, guest–host complexes of carboplatin, a second-generation platinum-based anticancer drug, and p-4-sulfocalix[n]arenes (n = 4… read more here.
Keywords: ps4 ps6; carboplatin supramolecular; investigations carboplatin; experimental computational ... See more keywords
Theoretical and computational investigations into mechanobactericidal activity of nanostructures at the bacteria-biomaterial interface: a critical review.
Sign Up to like & getrecommendations! Published in 2021 at "Nanoscale"
DOI: 10.1039/d0nr07976f
Abstract: Mechanobactericidal surfaces kill bacteria upon contact by posing landscapes hostile to them and have rapidly gained popularity amongst researchers over the past decade. But several fundamental aspects of the physical interactions between bacteria and nanostructures… read more here.
Keywords: mechanobactericidal activity; activity nanostructures; theoretical computational; investigations mechanobactericidal ... See more keywords
Computational investigations of 18-electron triatomic sulfur–nitrogen anions
Sign Up to like & getrecommendations! Published in 2018 at "Canadian Journal of Chemistry"
DOI: 10.1139/cjc-2018-0047
Abstract: MRCI-SD/def2-QZVP and PBE0/def2-QZVP calculations have been employed for the analysis of geometries, stabilities, and bonding of isomers of the 18-electron anions N2S2−, NS2−, and NSO−. Isomers of the isoelectronic neutral molecules SO2, S2O, S3, and… read more here.
Keywords: triatomic sulfur; electron triatomic; sulfur nitrogen; investigations electron ... See more keywords
Mesomorphic, Computational Investigations and Dyeing Applications of Laterally Substituted Dyes
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27248980
Abstract: Two groups of laterally substituted non-mesomorphic and liquid crystalline materials bearing monoazo group were prepared and investigated via experimental and theoretical techniques. The molecular structures of the designed dyes were evaluated by FT-IR and NMR… read more here.
Keywords: mesomorphic computational; investigations dyeing; laterally substituted; applications laterally ... See more keywords
Multi-Disciplinary Computational Investigations on Asymmetrical Failure Factors of Disc Brakes for Various CFRP Materials: A Validated Approach
Sign Up to like & getrecommendations! Published in 2022 at "Symmetry"
DOI: 10.3390/sym14081616
Abstract: Finite element analyses (FEA) are flexible and advanced approaches, which are utilized to address difficult problems of aerospace materials that exhibit both structural symmetrical and structural asymmetrical characteristics. Frictional behavior effects are used as a… read more here.
Keywords: fiber reinforced; disc brakes; multi disciplinary; disciplinary computational ... See more keywords