Related papers: Multi-Stage Transformation and Lattice Fluctuation…
Ab initio molecular-dynamics simulations have been used to investigate the structure, dynamics and electronic properties of the liquid alloy Ag(1-x)Se(x) at 1350 K and at the three compositions x=0.33, 0.42 and 0.65. The calculations are…
Time-domain femtosecond laser spectroscopic measurements of the ultrafast lattice dynamics in 2H-MoTe2 bulk crystals were carried out to understand the carrier-phonon interactions that govern electronic transport properties. An unusually…
Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…
We present initial Raman spectroscopy experiments on exfoliated flakes of $\alpha$-RuCl$_3$, from tens of nm thick down to single layers. Besides unexpectedly finding this material to be air stable, in the thinnest layers we observe the…
Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…
Supercooled liquids exhibit spatial heterogeneity in the dynamics of their fluctuating atomic arrangements. The length and time scales of the heterogeneous dynamics are central to the glass transition and influence nucleation and growth of…
This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…
In the prevalent picture of ultrafast structural phase transitions, the atomic motion occurs in a slowly varying potential energy surface determined adiabatically by the fast electrons. However, this ignores non-conservative forces caused…
In this work, a dynamic-Immersed--Boundary method combined with a BGK-Lattice--Boltzmann technique is developed and critically discussed. The fluid evolution is obtained on a three-dimensional lattice with 19 reticular velocities (D3Q19…
The high-pressure behavior of the lattice elasticity of spodumene, LiAlSi2O6, was studied by static compression in a diamond-anvil cell up to 9.3 GPa. Investigations by means of single-crystal XRD and Raman spectroscopy within the…
We study absorbing state phase transition in one dimension in presence of a conserved continuous local field (CCLF) called energy. A pair of sites on a lattice is said to be active if one or both sites posses more energy than a pre-defined…
The mesoscopic fluctuations of the Density of electronic States (DoS) and of the conductivity of two- and three- dimensional lattices with randomly distributed substitutional impurities are studied. Correlations of the levels lying above…
A flux liquid can condense into a smectic crystal in a pure layered superconductors with the magnetic field oriented nearly parallel to the layers. If the smectic order is commensurate with the layering, this crystal is {\sl stable} to…
Transitions between solid-like and fluid-like states in living tissues have been found in steps of embryonic development and in stages of disease progression. Our current understanding of these transitions has been guided by experimental…
Two-dimensional electron gases in SrTiO3-based heterostructures provide a platform to study the real-time evolution of the macroscopic state with a variation of the carrier density, and the impact of structural properties on the emergence…
Nuclear liquid-gas phase transitions are investigated in the framework of static antisymmetrized molecular dynamics (static AMD) model under either a constant volume or a constant pressure. A deuteron quadrupole momentum fluctuation…
We analyze fluctuation of the layer thicknesses and its influence on the strain state of (In,Ga)As/(Al,Ga)As micro-tubes containing quantum well structures. In those structures a curved high-mobility two-dimensional electron gas (HM2DEG) is…
Van der Waals (vdW) heterostructures enable tailored electronic and magnetic phases by stacking atomically thin layers with pristine interfaces. Here, we investigate fully 2D Cr2Ge2Te6/WTe2 heterostructures and identify a strong enhancement…
The role of the growth conditions in the spin transport properties of silver (Ag) have been studied by using lateral spin valve structures. By changing the deposition conditions of Ag from polycrystalline to epitaxial growth, we have…
We study effects of strain on the electronic properties of the kagome lattice in a tight-binding formalism with spin-orbit coupling (SOC). The degeneracy at the $\Gamma$ point evolves into a pair of emergent tilted Dirac cones under…