The adsorption of atomic Se on a Fe(1 1 0) surface is examined using the density functional theory (DFT). Selenium is adsorbed in high-symmetry adsorption sites: the -short and long-bridge, and atop sites at 1/2, 1/4, and 1 monolayer (ML) coverages. The long bridge (LB) site is found to be the most stable, followed by the short bridge (SB) and top sites (T). The following overlayer structures were examined, p(2 * 2), c(2 * 2), and p(1 * 1), which correspond to 1/4 ML, 1/2 ML, and 1 ML respectively. Adsorption energy is -5.23 eV at 1/4 ML. Se adsorption results in surface reconstruction, being more extensive for adsorption in the long bridge site at 1/2 ML, with verticaldisplacements between +8.63 and -6.69% -with regard to the original Feposition-, affecting the 1st and 2nd neighbours. The largest displacement inx or y-directions was determined to be 0.011, 0.030, and 0.021 A for atop and bridge sites. Comparisons between Se-adsorbed and pure Fe surfaces revealed reductions in the magnetic moments of surface-layer Fe atoms in the vicinity of the Se. At the long bridge site, the presence of Se causes a decrease in the surface Fe d-orbital density of states between 4 and 5 eV below Fermi level. The density of states present a contribution of Se states at -3.1 eV and -12.9 eV. stabilized after adsorption. The Fe-Fe overlap population decrease and a Fe-Se bond are formed at the expense of the metallicbond.
COBISS.SI-ID: 854186
The Auger electron spectroscopy study on chemistry of the 46.8°(111) twist grain boundary of an Fe-2.3%V alloy showed an extended phosphorus enrichment at temperatures in range of 500°C and 800°C. Simultaneously, slight but nearly independent segregation of vanadium was also detected. The standard enthalpy and entropy of grain boundary segregation of phosphorus and vanadium were determined according to the Guttmann model of multicomponent interfacial segregation. Obtained data clearly show that this [sum] = 19 coincidence boundary is special (i.e. low energy interface). The data also fit well with the predictive model of grain boundary segregation and confirm that phosphorus segregates intersitially at the grain boundary while vanadium substitutes iron atoms in the interface structure.
COBISS.SI-ID: 899498
Plasma-assisted chemical vapour deposition (PACVD) siloxane coatings from a mixture of hexamethyldisiloxane (HMDSO) and O2, and hybrid coatings deposited by simultaneous sputtering of silicon and plasma polymerisation of HMDSO + O2 were prepared on glass and steel substrates. The effect of addition of sputtered silicon was investigated for coatings with different HMDSO/O2 ratios. The microstructure and composition of coatings were affected by the coating parameters used. Silicon content was roughly the same for all coatings; carbon content decreased while oxygen content and surface energy increased with decreasing HMDSO/O2 ratio in hybrid coatings. Hardness and modulus were higher for hybrid coatings and increased with decreasing the HMDSO/O2 ratio. Hybrid coatings showed much better scratch and wear resistance than PACVD coatings. All coatings showed good fouling-release performance with the freshwater bacterium Pseudomonas fluorescens.
COBISS.SI-ID: 797866
Fouling-release coatings were prepared from blends of a fluorinated/siloxane copolymer with a poly(dimethyl siloxane) (PDMS) matrix in order to couple the low modulus character of PDMS with the low surface tension typical for fluorinated polymers. The content of the surface-active copolymer was varied in the blend over a broad range (0.15-10 wt % with respect to PDMS). X-ray photoelectron spectroscopy depth profiling analyses were performed on the coatings to establish the distribution of specific chemical constituents throughout the coatings, and proved enrichment in fluorine of the outermost layers of the coating surface. Addition of the fluorinated/siloxane copolymer to the PDMS matrix resulted in a concentration-dependent decrease in settlement of barnacle, Balanus amphitrite, cyprids. The release of young plants of Ulva, a soft fouling species, and young barnacles showed that adhesion strength on the fluorinated/siloxane copolymer was significantly lower than the siloxane control. However, differences in adhesion strength were not directly correlated with the concentration of copolymer in the blends.
COBISS.SI-ID: 723626
The fracture behaviour of an ultrafine grained WC-Co hard metal was investigated in tensile and bending tests using different specimen sizes and test arrangements in order to study the size effect on the tensile strength, by varying the effectively tested volume over a range of roughly 10 orders of magnitude. Mechanical testing of centimetre sized specimens was performed by means of tensile tests using an hour glass shaped specimen. Millimetre sized specimens were tested in four point and three point bending test set-ups. Micrometre sized specimens, rectangular beams produced via focused ion beam milling, were loades in situ in a scanning electron microscope utilizing a piezo-electrically controlled cube corner micro-indenter. The resulting fracture surfaces were examined in order to identify crack origins. The main result of the present work is that strength values are found to increase from about 2500 to about 6000 MPa when the size of the effectively loaded volume isvaried from about 100 to about 10[sub]{-8} mm[sub]3. This kind of behaviour is typical for brittle materials in which strength is defect controlled and can be explained by a size effect according to Weibull theory. In the case of the micrometre sized specimens no defects were found on the fracture surfaces. Estimations of critical defect sizes in these specimens based on linear elastic fracture mechanics give values in the order of magnitude of the submicron sized tungsten carbide particles. It is therefore expected that the high strength values found in these specimens are close to the inherent material strength.
COBISS.SI-ID: 855722