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In this work, a level-set based finite element method was used to numerically evaluate the mechanical behavior in a small deformation range of semi-solid materials with different microstructure configurations. For this purpose, a finite element model of th ...
We present a detailed study of the phase diagram of copper-intercalated TiSe2 single crystals, combining local Hall-probe magnetometry, tunnel diode oscillator technique (TDO), and specific-heat and angle-resolved photoemission spectroscopy measurements. A ...
The efficiency of ternary organic solar cells relies on the spontaneous establishment of a nanostructured network of donor and acceptor phases during film formation. A fundamental understanding of phase composition and arrangement and correlations to photo ...
Activated carbon fibers (ACFs) with surface modified by a diethylene triamine (DETA) are synthesized for the abatement of formaldehyde in gas phase at low concentration. Adsorbents with several DETA loadings were tested and characterized. The amount of DET ...
Determining the stability ofmolecules and condensed phases is the cornerstone of atomisticmodeling, underpinning our understanding of chemical andmaterials properties and transformations. We show that amachine-learningmodel, based on a local description of ...
The simultaneous presence of an Fe-related spin-density wave and the antiferromagnetic order of Eu-2(+) moments ranks EuFe2As2 among the most interesting parent compounds of iron-based pnictide superconductors. Here we explore the consequences of the dilut ...
Linking the intrinsic tertiary structures of biomolecules to their native geometries is a central prerequisite for making gas-phase studies directly relevant to biology. The isolation of molecules in the gas phase eliminates hydrophilic interactions with s ...
Quantum Monte Carlo simulations provide one of the more powerful and versatile numerical approaches to condensed matter systems. However, their application to frustrated quantum spin models, in all relevant temperature regimes, is hamstrung by the infamous ...
Raman scattering is a powerful tool for investigating the vibrational properties of two-dimensional materials. Unlike the 2H phase of many transition metal dichalcogenides, the 1T phase of TiSe2 features a Raman-active shearing and breathing mode, both of ...
A relationship based upon analogy is explored between (i) a lattice-based model for percolation by cylinders that employs distinct site types with unequal occupation probabilities in order to capture heterogeneities in the particle dispersion, and (ii) the ...
