Related papers: Quantitative aspects of the rigidity of branching …
We study the branching of twins appearing in shape memory alloys at the interface between austenite and martensite. In the framework of three-dimensional non-linear elasticity theory, we propose an explicit, low-energy construction of the…
We study a simplified two-dimensional model for a cubic-to-orthorhombic phase transition occuring in certain shape-memory-alloys. In the low temperature regime the linear theory of elasticity predicts various possible patterns of martensite…
Three-dimensional (3D) X-ray diffraction methods were used to analyze the evolution of the load-induced rearrangements of monoclinic twin microstructures within bulk nickel-titanium specimens in 3D and across six orders of magnitude in…
We analyze generic sequences for which the geometrically linear energy \[E_\eta(u,\chi):= \eta^{-\frac{2}{3}}\int_{B_{0}(1)} \left| e(u)- \sum_{i=1}^3 \chi_ie_i\right|^2 d x+\eta^\frac{1}{3} \sum_{i=1}^3 |D\chi_i|(B_{0}(1))\] remains…
The earlier-developed master equation approach and kinetic cluster methods are applied to study kinetics of L1_0 type orderings in alloys, including the formation of twinned structures characteristic of cubic-tetragonal-type phase…
Magnetic shape memory alloys exhibit a hierarchically twinned microstructure, which has been well examined in epitaxial Ni-Mn-Ga films. Here we analyze consequences of this twin within twins microstructure on the magnetic domain pattern.…
Here, we investigate the fractal-lattice Hubbard model using various numerical methods: exact diagonalization, the self-consistent diagonalization of a (mean-field) Hartree-Fock Hamiltonian and state-of-the-art Auxiliary-Field Quantum Monte…
Needle-like twins are observed experimentally within the transition layer at the martensite-twinned martensite interface. We utilize a phase-field approach to investigate this microstructure. Our goal is to simulate the morphology of the…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
A new $\beta$-metastable Ti-alloy is designed with the aim to obtain a TWIP alloy but positioned at the limit between the TRIP/TWIP and the TWIP dominated regime. The designed alloy exhibits a large ductility combined with an elevated and…
Modulated martensites play an important role in magnetic shape memory alloys, because all functional properties are closely connected to the twin microstructure and the phase boundary. The nature of the modulated martensites is still…
The recent discovery of superconductivity under high pressure in the ladder compound BaFe$_2$S$_3$ has opened a new field of research in iron-based superconductors with focus on quasi one-dimensional geometries. In this publication, using…
By mimicking the geometrical relation of nano-twin crystals, we propose novel architected twin mechanical metamaterials (TMMs), which can impede local shearing band formation under external loading, thus avoiding global catastrophic…
We describe a self consistent magnetic tight-binding theory based in an expansion of the Hohenberg-Kohn density functional to second order, about a non spin polarised reference density. We show how a first order expansion about a density…
Following demands for materials with peculiar transport properties, e.g. in magnetoelectronics or thermoelectrics, there is a need for materials modeling at the quantum-mechanical level. We combine density-functional with various…
We investigate ground state configurations of atomic systems in two dimensions interacting via short range pair potentials. As the number of particles tends to infinity, we show that low-energy configurations converge to a macroscopic…
In the framework of density functional theory, the structural and magnetic properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the different structural order are investigated. Using the Korringa-Kohn-Rostoker Green's…
We apply ideas from the theory of limits of dense combinatorial structures to study order types, which are combinatorial encodings of finite point sets. Using flag algebras we obtain new numerical results on the Erd\H{o}s problem of finding…
Plutonium dihydride and trihydride show strikingly similar crystal structures when viewed as close-packed Pu planes with ABC and AB stacking, respectively. The similarity serves as a framework for density functional theory (DFT)…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…