arXiv subjects

Michael Feuerbacher

Publications and source records attributed to Michael Feuerbacher.

7 recordsLinked to original sources

arXiv2026

A parsimonious structure model for the icosahedral quasicrystal Cd5.7Yb

A compact structure model for the icosahedral phase Cd5.7Yb is presented. The model is based on a higher-dimensional description and a cut-and-projection procedure to generate the atom distribution in three-dimensional physical space. It strictly employs only spherical or elliptical occupation domains, ensuring a low number of parameters and low calculation cost. In the presented form the model has seven adjustable parameters. Despite its minimalistic setting, the model reproduces available experimental data, such as chemical composition, mass density and electron density distribution, as well as the cluster structure in physical space very well. Nevertheless, the approximation of the occupation domains by spheres and ellipses evidently implies limitations in accuracy and universality. The model can be adapted for the description of other Tsai-type icosahedral phases.

cond-mat.mtrl-sci↗

arXiv2025

Order-disorder duality of high entropy alloys extends non-linear optics

Order versus disorder in the structure of materials plays a key role in the theoretical prediction of their properties. However, this structural description appears to be ineffective for new families of materials such as high entropy alloys (HEAs), which combine crystallographic order with chemical disorder. Here, we demonstrate for five-element HEAs as pure solid solutions that the chemical disorder of the elements decorating their cubic structure underlies the generation of second optical harmonics, overcoming the theoretical limit imposed on centrosymmetric crystals. Moreover, we discover that this disorder, inherent to HEAs, sets a threshold for non-linear light emission from the 4th to the 26th order. As a consequence of the 0.5 eV broadening of the energy levels of the five elements of the HEA, the emission spectrum covers broad visible (400-650 nm) and infrared (800-1600 nm) ranges. In addition to the challenge of theoretically predicting non-linear effects in unconventional materials, the duality of structural order and chemical disorder in HEAs offers the opportunity to design sustainable alternatives to urgently needed optical materials.

cond-mat.mtrl-sci↗

arXiv2024

Influence of chemical composition on the room temperature plas-ticity of C15 Ca-Al-Mg Laves phases

The influence of chemical composition changes on the room temperature mechanical proper-ties in the C15 CaAl2 Laves phase were investigated in two off-stoichiometric compositions with 5.7 at.-% Mg addition (Ca33Al61Mg6) and 10.8 at.-% Mg and 3.0 at.-% Ca addition (Ca36Al53Mg11) and compared to the stoichiometric (Ca33Al67) composition. Cubic Ca-Al-Mg Laves phases with multiple crystallographic orientations were characterised and deformed using nanoindentation. The hardness and indentation modulus were measured to be 4.1 +- 0.3 GPa and 71.3 +- 1.5 GPa for Ca36Al53Mg11, 4.6 +- 0.2 GPa and 80.4 +- 3.8 GPa for Ca33Al61Mg6 and 4.9 +- 0.3 GPa and 85.5 +- 4.0 GPa for Ca33Al67, respectively. The resulting surface traces as well as slip and crack planes, were distinguished on the indentation surfac-es, revealing the activation of several different {11n} slip systems, as further confirmed by conventional transmission electron microscopic observations. Additionally, the deformation mechanisms and corresponding energy barriers of activated slip systems were evaluated by atomistic simulations.

cond-mat.mtrl-sci↗

arXiv2023

Deformation twins as a probe for tribologically induced stress states

Friction and wear of metals are critically influenced by the microstructures of the bodies constituting the tribological contact. Understanding the microstructural evolution taking place over the lifetime of a tribological system therefore is crucial for strategically designing tribological systems with tailored friction and wear properties. Here, we focus on single-crystalline CoCrFeMnNi that is prone to form twins at room temperature. Deformation twins feature a pronounced orientation dependence with a tension-compression anisotropy, a distinct strain release in an extended volume and robust onset stresses. This makes deformation twinning an ideal probe to experimentally investigate the complex stress fields occurring in a tribological contact. Our results clearly show a grain orientation dependence of twinning under tribological load. Unexpectedly, neither the crystal direction parallel to the sliding nor the normal direction are solely decisive for twinning. This experimental approach is ideal to experimentally validate tribological stress field models, as is demonstrates here.

cond-mat.mtrl-sci↗

arXiv2020

Moiré, Euler, and self-similarity -- the lattice parameters of twisted hexagonal crystals

A real-space approach for the calculation of the Moiré lattice parameters for superstructures formed by a set of rotated hexagonal 2D crystals such as graphene or transition-metal dichalcogenides, is presented. Apparent Moiré lattices continuously form for all rotation angles, and their lattice parameter in a good approximation follows a hyperbolical angle dependence. Moiré crystals, i.e. Moiré lattices decorated with a basis, require more crucial assessment of the commensurabilities and lead to discrete solutions and a non-continuous angle dependence of the Moiré-crystal lattice parameter. In particular, this lattice parameter critically depends on the rotation angle, and continuous variation of the angle can lead to apparently erratic changes of the lattice parameter. The solutions form a highly complex pattern, which reflects number-theoretical relations between formation parameters of the Moiré crystal. The analysis also provides insight into the special case of a 30° rotation of the constituting lattices, for which a dodecagonal quasicrystalline structure forms.

cond-mat.mtrl-sci↗

arXiv2014

Hexagonal High-Entropy Alloys

We report on the discovery of a high-entropy alloy with a hexagonal crystal structure. Equiatomic samples in the alloy system Ho-Dy-Y-Gd-Tb were found to solidify as homogeneous single-phase high-entropy alloys. The results of our electron diffraction investigations and high-resolution scanning transmission electron microscopy are consistent with a Mg-type hexagonal structure. The possibility of hexagonal high-entropy alloys in other alloy systems is discussed.

cond-mat.mtrl-sci↗

arXiv2008

Crystal growth of copper-rich ytterbium compounds: The predicted giant unit cell structures YbCu4.4 and YbCu4.25

Two new phases YbCu4.4 and YbCu4.25 are found as a result of careful phase diagram investigations. Between the congruent and peritectic formation of YbCu4.5 and YbCu3.5, respectively, the phases YbCu4.4 and YbCu4.25 are formed peritectically at 934(2)degC and 931(3)degC. Crystal growth was realised using a Bridgman technique and single crystalline grains of about 50-100 10^{-6}m were analyzed by electron diffraction and single crystal X-ray diffraction. Due to the only slight differences in both compositions and formation temperatures the growth of larger single crystals of a defined superstructure is challenging. The compounds YbCu4.4 and YbCu4.25 fit in Cerny`s (J. Solid State Chem. 174 (2003) 125) building principle {(RECu5)n(RECu2)} where RE = Yb with n = 4 and 3. YbCu4.4 and YbCu4.25 base on AuBe5/MgCu2-type substructures and contain approximately 4570 and 2780 atoms per unit cell. The new phases close the gap in the series of known copper-rich rare earth compounds for n = 1, 2 (DyCu3.5, DyCu4.0) and n = 5 (YbCu4.5, DyCu4.5).

cond-mat.mtrl-sci↗