相关论文: Accelerated atomistic simulation study on the stab…
This paper investigates the bistability of curved compression ramp (CCR) flows. It reports that both separated and attached states can be stably established even for the same boundary conditions, revealing that the ultimate stable states of…
An externally corrected coupled cluster (CC) method, where an adaptive configuration interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is presented. By exploiting the connection between configuration…
We present here the quantum model of a Ni solid-state electron spin qubit on a silicon surface with the use of a density functional scheme for calculation of the exchange integrals in the non-collinear spin configurations in the generalized…
Stick-slip motion, a common phenomenon observed during crawling of cells, is found to be strongly sensitive to the substrate stiffness. Stick-slip behaviours have previously been investigated typically using purely elastic substrates. For a…
The fabrication of bismuthene on top of SiC paved the way for substrate engineering of room temperature quantum spin Hall insulators made of group V atoms. We perform large-scale quantum transport calculations in these 2d materials to…
This communication presents a comparative study on the charge transport (in transient and steady state) in bulk n-type doped SiC-polytypes: 3C-SiC, 4H-SiC and 6H-SiC. The time evolution of the basic macrovariables: the electron drift…
Nine stellarator configurations, three quasiaxisymmetric, three quasihelically symmetric and three non-quasisymmetric are scaled to ARIES-CS size and analyzed for energetic particle content. The best performing configurations with regard to…
The Compact Linear Collider (CLIC) is a multi-TeV high-luminosity linear e$^+$e$^-$-collider under development by the CLIC accelerator collaboration, hosted by CERN. The CLIC accelerator has been optimised for three energy stages at…
Quantum conductance fluctuations are investigated in disordered 3D topological insulator quantum wires. Both experiments and theory reveal a new transport regime in a mesoscopic conductor, pseudo-ballistic transport, for which ballistic…
We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…
In this technical note we calculate the dynamics of a linear feedback model of progression in the cell cycle in the case that the cells are organized into k=3 clusters. We examine the dynamics in detail for a specific subset of parameters…
We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa-Kohn-Rostoker Green's function method and the second moment tight-binding approximation for…
The assembly of colloidal cubic diamond is a challenging process since the shape and interaction parameters and the thermodynamic conditions where this structure is stable are elusive. The simultaneous use of shape-anisotropic particles and…
Particle transport and localization phenomena in condensed-matter systems can be modeled using a tight-binding lattice Hamiltonian. The ideal experimental emulation of such a model utilizes simultaneous, high-fidelity control and readout of…
We investigate the dynamics of kicked pseudo-spin-1/2 Bose-Einstein condensates (BECs) with spin-orbit coupling (SOC) in a tightly confined toroidal trap. The system exhibits different dynamical behaviors depending on the competition among…
1. Introduction 2. Molecular dynamics simulation of amorphous carbon structures 3. Atomistic simulation of the bombardment process during the BEN phase of diamond CVD 4. Growth of amorphous silicon 5. One-dimensional hopping in disordered…
We present results of simulations for a dilute gas of inelastically colliding particles. Collisions are modelled as a stochastic process, which on average decreases the translational energy (cooling), but allows for fluctuations in the…
Structural transformations in molecules and solids have generally been studied in isolation, while intermediate systems have eluded characterization. We show that a pair of CdS cluster isomers provides an advantageous experimental platform…
We study the bar instability in collisionless, rotating, anisotropic, stellar systems, using N-body simulations and also the matrix technique for calculation of modes with the perturbed collisionless Boltzmann equation. These methods are…
The coupled cluster iteration scheme for determining the cluster amplitudes involves a set of nonlinearly coupled difference equations. In the space spanned by the amplitudes, the set of equations are analysed as a multivariate…