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We present an extension of TRAPHIC, the method for radiative transfer of ionising radiation in smoothed particle hydrodynamics simulations that we introduced in Pawlik & Schaye (2008). The new version keeps all advantages of the original…
Solid-state ion conductors hold promise as next generation battery materials. To realize their full potential, an understanding of atomic-scale ion conduction mechanisms is needed, including ionic and electronic degrees of freedom.…
Trapped ions driven by electromagnetic radiation constitute one of the most developed quantum technologies to date. The scenarios range from proof-of-principle experiments to on-chip integration for quantum information units. In most cases,…
Measuring heat flow through nanoscale systems poses formidable practical difficulties as there is no `ampere meter' for heat. We propose to overcome this problem by realizing heat transport through a chain of trapped ions. Laser cooling the…
We theoretically investigate the transport properties of a weak coherent input field scattered by an ensemble of $\Lambda$-type atoms coupled to a one-dimensional photonic crystal waveguide. In our model, the atoms are randomly located in…
The inertia of trapping and detrapping of nonequilibrium charge carriers affects the electrochemical and transport properties of both bulk and nanoscopic structures in a very peculiar way. An emerging memory response with a hysteresis in…
We theoretically investigate the motional excitation of a single ion caused by spring-constant and position uctuations of a harmonic trap during trap shuttling processes. A detailed study of the sensitivity on noise for several transport…
A gap in understanding the link between continuum theories of ion transport in ionic liquids and the underlying microscopic dynamics has hindered the development of frameworks for transport phenomena in these concentrated electrolytes.…
Biological systems rely on ions and molecules as information carriers rather than electrons, motivating the development of devices that interface with biochemical systems for sensing, information processing, and actuation via spatiotemporal…
Efficient and safe energy storage technologies are essential for realizing a sustainable and electrified society. Among the key challenges, the design of superionic conductors for all-solid-state batteries often faces a fundamental…
Lithium superionic conductors (LSCs) are of major importance as solid electrolytes for next-generation all-solid-state lithium-ion batteries. While $ab$ $initio$ molecular dynamics have been extensively applied to study these materials,…
Lithium diffusion in solid-state battery anodes occurs through thermally activated hops between metastable sites often separated by large energy barriers, making such events rare on ab initio molecular dynamics (AIMD) timescales. Here, we…
Perm-selective ion transportation in a nanoscale structure has been extensively studied with aids of nanofabrication technology for a decade. While theoretical and experimental advances pushed the phenomenon to seminal innovative…
Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational…
Fast ionic conduction is a defining property of solid electrolytes for all-solid-state batteries. Previous studies have suggested that liquid-like cation motion associated with fast ionic transport can disrupt crystalline symmetry, thereby…
Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high…
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…
We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…
Magneto-optical traps are central to atomic and molecular quantum technologies and precision tests of fundamental physics, where both sensitivity and bandwidth scale strongly with atom number and loading rate. We demonstrate that employing…
Despite being fundamental to the understanding of solid-state electrolytes (SSE), little is known on the degree of coordination between mobile ions in diffusive events. Thus far, identification of concerted ionic hops mostly has relied on…