相关论文: Size-dependent Rigidities of Nanosized Torsional E…
A rectangular plate of dielectric elastomer exhibiting gradients of material properties through its thickness will deform inhomogeneously when a potential difference is applied to compliant electrodes on its major surfaces, because each…
Topological constraint theory has become an increasingly popular tool to predict the compositional dependence of glass properties or pinpoint promising compositions with tailored functionalities. This approach reduces complex disordered…
In recent years it has become possible to study the properties of nanocrystalline metals through atomic-scale simulations of systems with realistic grain sizes. A brief overview of the main results is given, such as the observation of a…
Shell buckling is central in many biological structures and advanced functional materials, even if, traditionally, this elastic instability has been regarded as a catastrophic phenomenon to be avoided for engineering structures. Either way,…
A general force-perturbation-based criterion for solid instability is proposed, which can predict instability including crease without priori knowledge of instability configuration. The crease instability is analyzed in detail, we found…
In this article, we consider a configuration of weighted random balls in $\mathbb{R}^d$ generated according to a Poisson point process. The model investigated exhibits inhomogeneity, as well as dependence between the centers and the radii…
The spontaneous nucleation of accelerating slip along slowly driven frictional interfaces is central to a broad range of geophysical, physical and engineering systems, with particularly far-reaching implications for earthquake physics. A…
The impact of nanoparticles (NPs) comprised of atoms with covalent bonding is investigated numerically and theoretically. We use recent models of covalent bonding of carbon atoms and elaborate a numerical model of amorphous carbon (a-C)…
Aiming at simulating elastic rods, we discretize a rod model based on a general theory of hyperelasticity for inextensible and unshearable rods. After reviewing this model and discussing topological effects of periodic rods, we prove…
We present first-principles calculations on bulk CdSe and CdSe nanowires with diameters of up to 22 \AA. Density functional linear combination of atomic orbitals and plane wave calculations of the electronic and structural properties are…
Nanostructures have the immense potential to supplant the traditional metallic structure as they show enhanced mechanical properties through strain hardening. In this paper, the effect of grain size on the hardening mechanism of Al-Cu…
A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior -- low and converging or high and…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
Fission of metastable charged univalent metal clusters has been studied on example of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density functional theory methods. Energetics of the process, i.e. dissociation energies and fission…
Spatial symmetries and invariances play an important role in the behaviour of materials and should be respected in the description and modelling of material properties. The focus here is the class of physically symmetric and positive…
A novel method for controlling nanowire magnetic properties and growth from filling time profile is presented. The wires are grown with an electrodeposition method ("Template synthesis") with a wide selection of pore diameters. We show that…
We investigate the effects of "dynamic structural disorder" (DSD) on the behavior of supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials,…
Material properties depend sensitively on the atomic arrangements and atomic bonding, but these are notoriously difficult to measure in nanosized atomic clusters due to the small size of the objects and the challenge of obtaining bulk…
Theoretical uncertainties in the predictions of inner fission barrier heights in superheavy elements have been investigated in a systematic way for a set of state-of-the-art covariant energy density functionals which represent major classes…
Interplay between structure and function in atomically thin crystalline nanoribbons is sensitive to their conformations yet the ability to prescribe them is a formidable challenge. Here, we report a novel paradigm for controlled nucleation…