相关论文: Mixed scenario of the charged helium surface recon…
Motivated by recent experimental work on multicomponent lipid membranes supported by colloidal scaffolds, we report an exhaustive theoretical investigation of the equilibrium configurations of binary mixtures on curved substrates. Starting…
We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between inter and…
We study the conversion of bulk Se and Te, consisting of intertwined a helices, to structurally very dissimilar, atomically thin two-dimensional (2D) layers of these elements. Our ab initio calculations reveal that previously unknown and…
By performing density functional theory-based calculations, we investigate how hydrogen atom interacts with the surfaces of monolayer PbI2 and how one and two side hydrogenation modify its structural, electronic, and magnetic properties.…
We present a hybrid vertex/cell-centred model for mechanically simulating planar cellular monolayers undergoing cell reorganisation. Cell centres are represented by a triangular nodal network, while the cell boundaries are formed by an…
In this paper, we propose a novel design and fabrication strategy to produce architected core structures for use as the core in composite sandwich structures. A traditional foam core or honeycomb structure is lightweight and stiff, but…
Molecular-scale manipulation of electronic/ionic charge accumulation in materials is a preeminent challenge, particularly in electrochemical energy storage. Layered van der Waals (vdW) crystals exemplify a diverse family of materials that…
Two-dimensional (2D) honeycomb photonic crystals with cylinders and connecting walls have the potential to have a large full band gap. In experiments, 2D photonic crystals do not have an infinite height, and therefore, we investigate the…
Full jet reconstruction has traditionally been thought to be difficult in heavy ion events due to large multiplicity backgrounds. The search for new physics in high luminosity p+p collisions at the LHC similarly requires the precise…
The capacitance of the electric double layer has potential applications in supercapacitors, and theoretical investigations of the double-layer capacitance in binary mixtures are important. In this work, we develop the theory of the electric…
We study the crossover between liquid and solid electron phases in a two-dimensional harmonic trap as the density is progressively diluted. We infer the formation of geometrically ordered phases from charge distributions and pair…
Bismuth Selenide is a two-dimensional topological insulator material composed of stacked quintuple layers (QL). The layers are held together by a weak van der Waals force that enables surface preparation by cleaving. Low energy ion…
The newly observed ($\sqrt3$$\times$$\sqrt3$) surface reconstruction in heteroepitaxial Si(111) thin films on metal substrates is widely considered as a promising platform to realize 2D Dirac and topological states, yet its formation…
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…
Finite volume schemes for hyperbolic balance laws require a piecewise polynomial reconstruction of the cell averaged values, and a reconstruction is termed `well-balanced' if it is able to simulate steady states at higher order than time…
We present the advantages of a multiscale modelling strategy for the understanding of systems with charged interfaces. On the one hand, one can simulate a complex system at different levels, depending on the relevant length and time scales…
We study, theoretically and experimentally, optical properties of different types of honeycomb photonic structures, known also as `photonic graphene'. First, we employ the two-photon polymerization method to fabricate the honeycomb…
Isolated electrons resting above a helium surface are predicted to have a bound spectrum corresponding to a one-dimensional hydrogen atom. But in fact, the observed spectrum is closer to that of a quantum-defect atom. Such a model is…
Possibility of structured mixed phases at first order phase transitions in neutron stars is re-examined by taking into account charge screening and surface effects. Transition from the hadron $npe$ phase to the quark phase is studied. Two…
Compared to electronic phase transitions, structural phase transitions of crystals are challenging to control due to the energy cost of breaking dense solid bonds. Recently, however, electric field switching of stacking configuration…