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The ability to predict the distribution of metals in geologic systems requires a modeling approach that can describe the competition among adsorbing surfaces for the metal of interest. In this study, we test if a component additivity (CA) surface complexat ...
According to various studies, Grain Boundary Engineering (GBE) is likely to enhance mechanical properties of polycrystalline materials. The present investigation highlights some relationships between thermomechanical process (TMP) parameters of a commercia ...
ISOLDE, the CERN Isotope Separator On-line DEvice is a unique source of low energy beams of radioactive isotopes - atomic nuclei that have too many or too few neutrons to be stable. The facility is like a small 'chemical factory', giving the possibility of ...
A method is presented for the simultaneous measurement of relative grain boundary energy and all five macroscopic grain boundary degrees of freedom in leaded copper. When compared to the Wynblatt–Takashima model, results suggest a lowered boundary energy w ...
Molecular dynamics simulations were used to investigate possible explanations for experimentally observed differences in the growth modification of calcite particles by two organic additives, polyacrylic acid (PAA) and polyaspartic acid (p-ASP). The more r ...
Transparent polycrystalline alumina (PCA) is a promising replacement for sapphire. Its optical properties however are highly dependent on the grain size and residual porosity which need to be controlled for real inline transmittances (RIT), that are high e ...
In this work, molecular simulations were performed to evaluate the separation performance of two typical zeolitic imidazolate frameworks (ZIFs), ZIF-68 and ZIF-69, for CO2/N2, CO2/CH 4, and CH4/N2 mixtures. To do this, we first identified a suitable force ...
Two-step sintering of nanocrystalline zirconia powder stabilized with 8 mol% yttria resulted in remarkable enhancement of the electrical conductivity and significant suppression of the accelerated grain growth. The electrical conductivity of the nearly ful ...
In finite element simulations dedicated to the modelling of microstructure evolution, the mesh has to be fine enough to: (i) accurately describe the geometry of the constituents; (ii) capture local strain gradients stemming from the heterogeneity in materi ...
HPL SA report the modification of the electrochemical performance of lithium manganese phosphate (LiMnPO4) via Mn-site bivalent substitution. Manganese (10%) is substituted with iron, nickel, magnesium, or zinc. These substituents are shown via an X-ray to ...
