Related papers: Quantifying microstructure features for high perfo…
We analyze the basic structural units of simple reconstructions of the (111) surface of SrTiO3 using density functional calculations. The prime focus is to answer three questions: what is the most appropriate functional to use; how accurate…
In the framework of the relativistic mean field model with Thomas-Fermi approximation, we study the structures of low density nuclear matter in a three-dimensional geometry with reflection symmetry. The numerical accuracy and efficiency are…
The structure of single atoms in real space is investigated by scanning tunneling microscopy. Very high resolution is possible by a dramatic reduction of the tip-sample distance. The instabilities which are normally encountered when using…
Linking electrode microstructure to electrochemical performance is essential for optimizing Li-ion batteries. However, this requires mechanistic 4D observations at ultimate spatio-temporal scales, which remains elusive. Here we demonstrate…
In this study, an alloy phase-field model is used to simulate solidification microstructures at different locations within a solidified molten pool. The temperature gradient $G$ and the solidification velocity $V$ are obtained from a…
The low temperature autoclave aging behavior of zirconia toughened alumina composites processed by a classical powder mixing processing route was analyzed using atomic force microscopy (AFM), scanning electron microscopy and X-Ray…
Recently, the possibility of a low-temperature non-cubic phase in BaZrO$_3$ has generated engaging discussions about its true ground state and the consequences on its physical properties. In this paper, we investigate the microscopic…
Effective modulation of magnetic permeability plays a vital role in the development of high-performance inductors. Here, phase-field simulations of hard/soft ferrite composites (BaM/NiZn) clarify how exchange coupling and microstructure…
Multilayered heterostructures of Ce0.85Sm0.15O2-delta and Y0.16Zr0.92O2-delta of a high crystallographic quality were fabricated on (001) - oriented MgO single crystal substrates. Keeping the total thickness of the heterostructures…
We theoretically analyze the surface density of states of heavy fermion materials such as CeCoIn$_5$. Recent experimental progress made it possible to locally probe the formation of heavy quasi-particles in these systems via scanning…
Numerical simulations are used in this work to investigate aspects of microstructure and microsegregation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by…
The microstructural characteristics of soot generated during thermal runaway events in lithium-ion batteries have been examined, with a focus on the associated health risks. X-ray computed tomography (Nano-CT) offers advanced 3D imaging for…
The rich phase diagram of bulk Pr$_{1-x}$Ca$_{x}$MnO$_3$ resulting in a high tunability of physical properties gave rise to various studies related to fundamental research as well as prospective applications of the material. Importantly, as…
Sintering of printed porcelain filaments can be strongly affected by overhang geometry, thin features, and printing-induced anisotropy. These effects are particularly difficult to simulate because they require accurately capturing the…
Improved understanding of gas/liquid transport in electrochemical gas-evolving systems is increasingly demanded for optimizing device performance. However, high-resolution measurement techniques for in-situ imaging remain limited. This work…
Accurate computational ptychographic phase reconstructions are enabled by fast direct-electron cameras with high dynamic ranges used for four-dimensional scanning transmission electron microscopy (4D-STEM). The availability of open software…
We demonstrate a novel approach for non-destructive in-situ characterization of phase transitions of ultrathin nickel silicide films using 3D medium-energy ion scattering. The technique provides simultaneously composition and real-space…
In the manufacturing process of high-performance particulate materials, viscous sintering plays a crucial role, particularly in fields such as polymer processing and additive manufacturing. The interactions between microscopic particles,…
Nanocrystalline materials are well known for their beneficial mechanical and physical properties. However, it is of utmost importance to stabilize the microstructure at elevated temperatures to broaden the window of application e.g. by…
Nanostructures have become an attractive subject due to many applications, particularly the photonic bandgap effect observed in photonic crystals. Nevertheless, the fabrication of such structures remains a challenge because of accurate…