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Mesoscale objects with unusual structural features may serve as the analogues of atoms in the design of larger-scale materials with novel optical, electronic or mechanical behaviour. In this paper we investigate the structural features and…
Freestanding tubular crystals offer a general description of crystalline order on deformable surfaces with cylindrical topology, such as single-walled carbon nanotubes, microtubules, and recently reported colloidal assemblies. These systems…
Molecular dynamics simulations are performed to study spatially heterogeneous dynamics in a model of viscous silica above and below the critical temperature of the mode coupling theory, $T_{MCT}$. Specifically, we follow the evolution of…
Although (103) is a stable nominal orientation for both silicon and germanium, experimental observations revealed that in the case of silicon this surface remains disordered on an atomic scale even after careful annealing. We report here a…
The suitability of molecular statics (MS) simulations to model the structure of 90{\deg} glide set partial dislocation cores in GaAs is analyzed. In the MS simulations the atomic positions are iteratively relaxed by energy minimization, for…
Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a…
We describe our modelling of the radiatively cooling shocks and their thin shells with various numerical tools in different physical and calculational setups. We inspect structure of the dense shell, its formation and evolution, pointing…
It is well known that under plastic deformation, dislocations are not only created but also move through the crystal, and their mobility is impeded by their interaction with the crystal structure. At high stress and temperature, this `drag'…
Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The…
The dynamics of amorphous silicon at low temperatures can be characterized by a sequence of discrete activated events, through which the topological network is locally reorganized. Using the activation-relaxation technique, we create more…
Experiments reveal that structural transitions in thin sheets are mediated by the passage of transient and stable mobile localized elastic excitations. These ``crumples'' or ``d-cones'' nucleate, propagate, interact, annihilate, and escape.…
The unique superflow-through-solid effect observed in solid Helium-4 and attributed to the quasi-one-dimensional superfluidity along the dislocation cores exhibits two extraordinary features: (i) an exponentially strong suppression of the…
Free standing silicene is predicted to display comparable electronic properties as graphene. However, the yet synthesized silicene-like structures have been only realized on different substrates which turned out to exhibit versatile…
In contrast to the static operations of conventional semiconductor devices, the dynamic conformational freedom in molecular devices opens up the possibility of using molecules as new types of devices such as a molecular conformational…
Understanding the spontaneous emergence of dislocation patterns during plastic deformation is a long standing challenge in dislocation theory. During the past decades several phenomenological continuum models of dislocation patterning were…
Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures. We used molecular dynamics (MD) with classical effective…
There are multiple possible origins of transport anisotropies in metals and superconductors. For instance, rotational symmetry can be spontaneously broken in the normal state as a result of electronic nematic order inducing anisotropies in…
Interstitial defects are inevitably present in doped semiconductors that enable modern-day electronic, optoelectronic or thermoelectric technologies. Understanding of stability of interstitials and their bonding mechanisms in the silicon…
We present observations of 15 massive cores in three different CS transitions from the FCRAO 14m and the KOSMA 3m telescope. We derive physical parameters of these cores using different approaches to the line radiative transfer problem. The…
Anomalous neutral to charged kaon correlations measured by the ALICE collaboration have defied usual explanations. We propose that the large fluctuations could arise because of a disoriented isospin condensate where there is an imbalance…