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We use x-ray absorption spectroscopy as well as its linear and circular magnetic dichroisms to characterize relevant interactions and energy scales in the surface intermetallic CePt$_5$/Pt(111). The experiments provide insight into crystal…
Field-of-view and resolution trade-offs in X-Ray micro-computed tomography (micro-CT) imaging limit the characterization, analysis and model development of multi-scale porous systems. To this end, we developed an applied methodology…
DeePore is a deep learning workflow for rapid estimation of a wide range of porous material properties based on the binarized micro-tomography images. By combining naturally occurring porous textures we generated 17700 semi-real 3-D…
According to phase diagrams based on x-ray measurements, In70-Pt30 has the cubic Sn7Ir3 crystal structure (D8f, cI40) but the alloys In70-Ni30 and In70-Pd30 have been variously reported to have either a cubic gamma-brass (D81-3, cI52) or…
The information content of crystalline materials becomes astronomical when collective electronic behavior and their fluctuations are taken into account. In the past decade, improvements in source brightness and detector technology at modern…
Compositionally complex alloys hold the promise of simultaneously attaining superior combinations of properties, such as corrosion resistance, light-weighting, and strength. Achieving this goal is a challenge due in part to a large number…
The interconnectivity of the porous space is an important characteristic in the study of porous media and their transport properties. Hence we propose a way to quantify it and relate it with the intrinsic permeability of rocks. We propose a…
Cu added CdS films were synthesized using spin coating technique at different spin speeds for different time durations. Films were subsequently annealed at different temperatures for different time periods in air to crystallize the phase of…
We present first principle calculations of the structural and electronic properties of the CuS covellite material. Symmetry-lowering structural transition is well reproduced. However, the microscopic origin of the transition is unclear. The…
We derive, from the dimensional cross-over criterion, a fundamental-measure density functional for parallel hard curved rectangles moving on a cylindrical surface. We derive it from the density functional of circular arcs of length $\sigma$…
The surface atomic and electronic structure after deposition of 1/3 monolayer (ML) Te on Cu(111) was determined using a combination of low-energy electron diffraction (LEED), scanning tunneling microscopy and spectroscopy (STM/STS),…
Ab initio investigation of the two porous coordination polymers Cu[Cu(pdt)$ _{2} $] and Cu[Ni(pdt)$ _{2} $] has been performed. The dispersion laws and partial density of states was obtained with the PBE0 hybrid functional. The results…
Tungsten-copper (W-Cu) compounds are widely utilized in various industrial fields due to their exceptional mechanical properties. In this study, we have developed a neural-network-based deep potential (DP) model that covers a wide range of…
The CO_{2} electro-reduction reaction (CORR) is a promising avenue to convert greenhouse gases into high-value fuels and chemicals, in addition to being an attractive method for storing intermittent renewable energy. Although…
Electron tomography (ET) offers nanoscale 3D characterization of mesoporous materials but is often limited by their low scattering contrast. Here, we introduce a gallium (Ga) intrusion strategy for mesoporous silica that dramatically…
A DFT study of the synthesized MAX phase Zr2SeC has been carried out for the first time to explore its physical properties for possible applications in many sectors. The studied properties are compared with prior known MAX phase Zr2SC. The…
Flax fibres are valuable reinforcements for tomorrow's composites. However, defects called kink-bands, which mainly appear on fibres during the extraction and transformation phases, might affect their mechanical properties. Defects induced…
Micropatterned surfaces composed of concentric circular defects having a smooth trench-like profile are formed using a photoresist (SU-8). When an evaporating droplet encounters the micropatterned surface an evaporation phase is observed…
Structural characterization of nanoscale-two-metal-phase systems, which exhibit partial, complete, or no mixing when co-sputtered with a few percent of a minority element, is extremely challenging. Co-sputtering two metals at room…
The lightweight high entropy alloy represents an innovative class of multicomponent systems that combine low density with the exceptional mechanical properties of high-entropy alloys. We present a detailed synthesis and investigation of a…