相关论文: Topological Data Analysis of Ion Migration Mechani…
We investigate theoretically charge migration following prompt double ionization of a polyatomic molecule (C$_2$H$_4$BrI) and find that for double ionization, correlation-driven charge migration appears to be particularly prominent, i.e.,…
We present numerical radiation-hydrodynamic simulations of the evolution of HII regions formed in an inhomogeneous medium resulting from turbulence simulations. We find that the filamentary structure of the underlying density distribution…
We analyze the phase transitions of an interacting electronic system weakly coupled to free-electron leads by considering its zero-bias conductance. This is expressed in terms of two effective impurity models for the cases with and without…
Collective cell migration governs a range of physiological and pathological processes, from tissue morphogenesis to cancer invasion, in which topological defects arise as an inevitable consequence of frequent cellular rearrangement and…
Turbulent transport remains one of the principal obstacles to achieving efficient magnetic confinement in fusion devices. Two of the dominant drivers of the turbulence are microscale instabilities fuelled by electron- and ion-temperature…
Convective mixing in porous media is crucial in both geophysical and industrial fields, spanning applications ranging from carbon dioxide sequestration to contaminant transport in groundwater. Key processes are affected by convective heat…
The elasticity of DNA catenanes, i.e. multiply linked DNA rings, is investigated using the Gauss invariant as a minimal model for topology conservation. An effective elastic free energy as a function of the distance $R$ between segments…
We study the structural, dynamical and electronic properties of amorphous Si\sub{1-x}Ge\sub{x}:H alloys using first principles local basis molecular dynamics simulation. The network topology and defects in the amorphous network have been…
Highly energetic electron-hole pairs (hot carriers) formed from plasmon decay in metallic nanostructures promise sustainable pathways for energy-harvesting devices. However, efficient collection before thermalization remains an obstacle for…
Understanding electrical characteristics and corresponding transport models at single molecular junctions is crucial. There have been many reports on organic compounds-based single molecular junctions. However, organometallic…
Here we consider the topological properties of the integrated networks emerging from the activity driven model [Perra at al. Sci. Rep. 2, 469 (2012)], a temporal network model recently proposed to explain the power-law degree distribution…
Over the last two decades, topological data analysis (TDA) has emerged as a very powerful data analytic approach which can deal with various data modalities of varying complexities. One of the most commonly used tools in TDA is persistent…
Recent studies indicated that helical organic molecules, such as DNA and $\alpha$-helical protein, can behave as Thouless quantum pumps when a rotating electric field is applied perpendicularly to their helical axes. Here we investigate the…
The following article is an application of commutative algebra to the study of multiparameter persistent homology in topological data analysis. In particular, the theory of finite free resolutions of modules over polynomial rings is applied…
The magnetotransport of two dimensional holes in a GaAs/AlGaAs heterostructure is studied experimentally and theoretically. Spin-orbit splitting of the heavy hole band is manifested at high carrier densities in two Shubnikov-de Haas…
Tight-binding molecular dynamics (TBMD) is used to study the structural and electronic properties of silver clusters. The ground state structures of Ag clusters up to 21 atoms are optimized via TBMD combined with genetic algorithm (GA). The…
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…
In recent years, low-dimensional materials with tetragonal $P4/nmm$ (orthorhombic $Pnma$) space group having square-net (chain-like) substructure of $p$-block elements have been studied extensively. By using a first-principles calculation…
Flocking phase transitions found in models of polar active matter are paradigmatic examples of active phase transitions in soft matter. An interesting specialization of flocking models concerns a ``topological'' vs ``metric'' choice by…
Ring exchange is an elementary interaction for modeling unconventional topological matters which hold promise for efficient quantum information processing. We report the observation of four-body ring-exchange interactions and the…