Related papers: Microstructural characterization and kinetics mode…
The structural transitions, magnetic properties, and electronic structures of Co(Fe)-doped MnNiSi compounds are investigated by x-ray powder diffraction (XRD), differential scanning calorimetry (DSC), magnetic measurements, and…
Magnetically-driven ferroelectric atomic displacements of the order of 10$^{-3} Angstrom have been observed in orthorhombic (perovskite like) YMnO$_3$ by a single-crystal synchrotron x-ray diffraction. The refined polar structure shows the…
Focused ion beam (FIB)-scanning electron microscopy (SEM) allowed the characterization of the microstructure of two solid oxide fuel cells prepared at different sintering temperatures. 3D volume reconstruction showed that a relatively low…
Hafnium hydride is a promising material for next-generation nuclear reactors, particularly as control rods for fast fission and shielding in fusion systems. The material's intrinsic brittleness encourages its use in the form of…
We use the phase-field method to study the martensitic transformation at the nanoscale. For nanosystems such as nanowires and nanograins embedded in a stiff matrix, the geometric constraints and boundary conditions have an impact on…
Turbulent vortex structures emerging in bacterial active fluids can be organized into regular vortex lattices by weak geometrical constraints such as obstacles. Here we show, using a continuum-theoretical approach, that the formation and…
There is an increasing interest in the fabrication of cement-based materials via additive manufacturing (AM) techniques. However, the processing-induced heterogeneities and interfaces represent a major challenge. The role of processing in…
The local environment of Mn atoms in stoichiometric Ni-Mn-Ga Heusler alloys was investigated using Nuclear Magnetic Resonance (NMR) and interpreted with the help of Density Functional Theory (DFT) methods. In cubic austenite, the…
Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for…
Manganese ferrite (MnFe2O4) and copper doped manganese ferrite (Mn0.75Cu0.25Fe2O4) soft materials were synthesized through solid-state sintering method. The phase purity and quality were confirmed from x-ray diffraction patterns. Then the…
Neutron irradiation in structural alloys promotes defect clustering, which suppresses plasticity and triggers a ductile-to-brittle transition (DBT), a key degradation mechanism limiting fracture resistance in nuclear materials. This study…
We construct a phase diagram of the parent compound Fe1+xTe as a function of interstitial iron x in terms of the electronic, structural, and magnetic properties. For a concentration of x < 10%, Fe1+xTe undergoes a "semimetal" to metal…
The iron carbide $Fe_3C$ is studied by the first-principle density functional theory. It is shown that the crystal structure with the carbon disposition in a prismatic environment has the lowest total energy and the highest energy of…
The magnetic and structural properties of MnAs are studied with ab initio methods, and by mapping total energies onto a Heisenberg model. The stability of the different phases is found to depend mainly on the volume and on the amount of…
Martensites are metastable phases, possessing a characteristic morphology, usually formed during a fast quench accross a structural transition. We attempt to understand these morphological features using a coarsegrained free energy…
Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…
A dedicated in situ heating setup in a scanning electron microscope (SEM) followed by an ex situ atomic force microscopy (AFM) and electron backscatter diffraction (EBSD) is used to characterize the nucleation and early growth stages of…
We report on the growth of single-crystal potassium birnessite (K0.31MnO2*0.41H2O) and present both the average and local structural characterization of this frustrated magnetic system. Single crystals were obtained employing a flux growth…
The coexistence of different ferroelectric phases enables the tunability of the macroscopic properties and extensive applications from piezoelectric transducers to nonvolatile memories. Here we develop a thermodynamic model to predict the…
Ferroelectric domain structure evolution induced by an external electric field was investigated by means of nematic liquid crystal (NLC) method in two strontium-barium niobate single crystals of nominal composition:…