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The most critical limitation to the wide-scale use of classical molecular dynamics for alloy design is the availability of suitable interatomic potentials. In this work, we demonstrate a simple procedure to generate a library of accurate…
The formation of energetically favourable and metastable mineral phases within the Fe-H2O system controls the long-term mobility of iron complexes as well as other aqueous phase constituents in natural aquifers, soils and other…
We synthesized strontium titanate SrTiO$_3$ (STO), Zr doped $\text{Sr}_\text{1-x}\text{Zr}_\text{x}\text{Ti}\text{O}_3$ and (Zr, Ni) co-doped $\text{Sr}_\text{1-x}\text{Zr}_\text{x}\text{Ti}_\text{1-y}\text{Ni}_\text{y}\text{O}_3$ samples…
A comprehensive study of pulsed nitriding in AISI H13 tool steel at low temperature (400{\deg}C) is reported for several durations. X-ray diffraction results reveal that a nitrogen enriched compound (Epsilon-Fe2-3N, iron nitride) builds up…
Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the…
Zinc phosphide, Zn3P2, nanowires constitute prospective building blocks for next generation solar cells due to the combination of suitable optoelectronic properties and an abundance of the constituting elements in the Earths crust. The…
We report a new approach to achieve growth of highly crystalline nickel nanoparticles over an extended range of sizes (up to 100 nm in diameter) and time scales (up to several hours) by diffusional transport of constituent atoms. The…
NiO/ZnO-based thin films, including single-layer and heterostructure configurations, were synthesized to investigate the influence of stacking order on their electrochemical performance for supercapacitor applications. To improve the…
The mechanical properties of Mg-Al alloys are greatly influenced by the complex intermetallic phase Mg$_{17}$Al$_{12}$, which is the most dominant precipitate found in this alloy system. The interaction of basal edge and 30$^\text{o}$…
Nanopores (NPs) grown by anodizing can be partially hidden beneath a relatively compact surface oxide layer, which limits the volumetric surface area of these nanostructures. In this work, nitinol (NiTi) alloy was anodized in an electrolyte…
Cobalt-based alloys with {\gamma}/{\gamma}' microstructures have the potential to become the next generation of superalloys, but alloy compositions and processing steps must be optimized to improve coarsening, creep, and rafting behavior.…
Freezing or solidification of impacting droplets is omnipresent in nature and technology, be it a rain droplet falling on a supercooled surface, be it in inkjet printing where often molten wax is used, be it in added manufacturing or in…
We examine phase separation in aqueous mixtures due to preferential solvation with a low-density solute (hydrophilic ions or hydrophobic particles). For hydrophilic ions, preferential solvation can stabilize water domains enriched with…
Patterning of precipitates along dislocation lines arising from nonequilibrium segregation during ion irradiation is investigated in model binary alloys. Lattice kinetic Monte Carlo simulations reveal that the competition between solute…
We report detailed nucleation studies on the liquid-to-solid transition of hexadecane using nearly monodisperse hexadecane-in-water emulsions. A careful consideration of the kinetics of isothermal and nonisothermal freezing show deviations…
The amorphous-to-crystalline transition in Al(1.0%wtSi)/Zr and Al(Pure)/Zr multilayers grown by direct-current magnetron sputtering system has been characterized over a range of Al layer thicknesses (1.0-5.0 nm) by using a series of…
Upgrading the productivity of nanoparticles (NPs), generated by pulsed laser ablation in liquid (PLAL), still remains challenging. Here a novel variant of PLAL was developed, where a doubled frequency Nd:YAG laser beam (532 nm, ~ 5 ns, 10…
The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic % in the growth…
The interaction between Mg edge basal dislocations and rod-shaped $\beta_1'$-MgZn$_2$ precipitates was studied by atomistic simulations using a new interatomic potential. The atomistic model was carefully built taking into account the…
Recent computational and theoretical studies have shown that the deformation of colloidal suspensions under a steady shear is highly heterogeneous at the particle level and demonstrate a critical influence on the macroscopic deformation…