RESUMEN
The interface connects the reinforced phase and the matrix of materials, with its microstructure and interfacial configurations directly impacting the overall performance of composites. In this study, utilizing seven atomic layers of Mg(0001) and Ti(0001) surface slab models, four different Mg(0001)/Ti(0001) interfaces with varying atomic stacking configurations were constructed. The calculated interface adhesion energy and electronic bonding information of the Mg(0001)/Ti(0001) interface reveal that the HCP2 interface configuration exhibits the best stability. Moreover, Si, Ca, Sc, V, Cr, Mn, Fe, Cu, Zn, Y, Zr, Nb, Mo, Sn, La, Ce, Nd, and Gd elements are introduced into the Mg/Ti interface layer or interfacial sublayer of the HCP2 configurations, and their interfacial segregation behavior is investigated systematically. The results indicate that Gd atom doping in the Mg(0001)/Ti(0001) interface exhibits the smallest heat of segregation, with a value of -5.83 eV. However, Ca and La atom doping in the Mg(0001)/Ti(0001) interface show larger heat of segregation, with values of 0.84 and 0.63 eV, respectively. This implies that the Gd atom exhibits a higher propensity to segregate at the interface, whereas the Ca and La atoms are less inclined to segregate. Moreover, the electronic density is thoroughly analyzed to elucidate the interfacial segregation behavior. The research findings presented in this paper offer valuable guidance and insights for designing the composition of magnesium-based composites.
RESUMEN
Interfacial segregation is ubiquitous in mulit-component polycrystalline materials and plays a decisive role in material properties. So far, the discovered solute segregation patterns at special high-symmetry interfaces are usually located at the boundary lines or are distributed symmetrically at the boundaries. Here, in a model Mg-Nd-Mn alloy, we confirm that elastic strain minimization facilitated nonsymmetrical segregation of solutes in four types of linear tilt grain boundaries (TGBs) to generate ordered interfacial superstructures. Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy observations indicate that the solutes selectively segregate at substitutional sites at the linear TGBs separated by periodic misfit dislocations to form such two-dimensional planar structures. These findings are totally different from the classical McLean-type segregation which has assumed the monolayer or submonolayer coverage of a grain boundary and refresh understanding on strain-driven interface segregation behaviors.
RESUMEN
The fracture-behaviors of two Ti-Al-Sn-Zr-Mo-Nb-W-Si alloys with different slow-diffusing ß stabilizing elements (Mo, W) were investigated through in-situ tensile testing at 650 °C via scanning electron microscopy. These alloys have two phases: the α phase with hcp-structure (a = 0.295 nm, c = 0.468 nm) and the ß phase with bcc-structure (a = 0.332 nm). Three-dimensional atom probe (3DAP) results show that Mo and W mainly dissolve in the ß phase, and they tend to cluster near the α/ß phase boundary. Adding more slow-diffusing ß stabilizing elements can improve the ultimate tensile strength and elongation of the alloy at 650 °C. During tensile deformation at 650 °C, microvoids mainly initiate at α/ß interfaces. With increases in the contents of Mo and W, the ß phase content increases and the average phase size decreases, which together have excellent accommodative deformation capability and will inhibit the microvoids' nucleation along the interface. In addition, the segregation of Mo and W near the α/ß interface can reduce the diffusion coefficient of the interface and inhibit the growth of microvoids along the interface, which are both helpful to improve the ultimate tensile strength and plasticity.
RESUMEN
Interface segregation is a powerful approach to tailor properties of bulk materials by interface engineering. Nevertheless, little is known about the chemical inhomogeneity at interfaces of polymorphic two-dimensional transition metal dichalcogenides (TMDs) and its influence on the properties of the 2D materials. Here we report one-dimensional monatomic segregation at coherent semiconductor-metal 1H/1T interfaces of Mo-doped WS2 monolayers. The monatomic interface segregation takes place at an intact transition metal plane and is associated with the topological defects caused by reflection symmetry breaking at the 1T/1H interfaces and the weak difference in bonding strength between Mo-S and W-S. This finding enriches our understanding of the interaction between topological defects and impurities in 2D crystals and enlightens a potential approach to manipulate the properties of 2D TMDs by local chemical modification and interface engineering for applications in 2D TMD electronic devices.
RESUMEN
Improved understanding of the interactions between solutes and the austenite/ferrite interface can benefit modeling of ferrite growth during austenite decomposition, as the transformation kinetic is significantly affected by solutes that influence interface mobility. Solute-interface interactions dominate solute segregation at the interface in binary systems, but in multi-component alloys, solute-solute interactions may also affect segregation. In this study, interface segregation in Fe-Mn-N is examined and compared with Fe-Mn-C, to reveal the extent to which C affects the segregation of Mn. Atom probe tomography (APT) is well-suited to analyze solute concentrations across the interface, as this technique combines high spatial resolution and compositional sensitivity. Measurements of Mn show that segregation is only observed for Fe-Mn-C. This demonstrates that Mn segregation is primarily driven by an affinity for C, which also segregates to the interface. However, the measurement of N in steels by APT may be affected by a variety of experimental factors. Therefore, in verifying the Fe-Mn-N result, systematic examination is conducted on the influence of pulsing method (voltage versus laser), sample preparation (ion milling versus electropolishing), and vacuum storage on the measured N concentration. Both laser pulsing and focused ion beam sample preparation are observed to decrease the apparent N concentration.
RESUMEN
To understand the contribution of long term thermal ageing to Reactor Pressure Vessel (RPV) embrittlement two high Cu steel welds with different Ni contents were thermally aged for times up to 100,000 h at 330 °C and 365 °C. Microstructural characterisation using Atom Probe Tomography was performed. Thermal ageing produced a high number density of nano-scale Cu-enriched precipitates. The precipitate-matrix interfaces were enriched in Ni, Mn and Si. The characterisation of these interfaces using a double cluster search approach is the subject of this work. The interface region around thermally-induced precipitates was found to be wider in steels with higher bulk Ni contents and where precipitates had larger core radii. The effect of ageing temperature on interface width was small when comparing precipitates of equal core radius. The narrower interface width in the lower Ni steels is reflected in the composition of the interface, which has a lower Ni content than in the higher Ni material. The reduction in interfacial energy due to the segregation of Ni, Mn and Si has been calculated and shows enhanced reductions in interfacial energy with increasing precipitate size, but no obvious effect of temperature.