Electronic solvation dynamics in non-polar supercritical fluids
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We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non-uniform density profile. Results match quite well as long as the lengthscale of density nonuniformities ...
Fluorescent solvatochromic dyes and molecular rotors have attracted considerable attention as fluorogenic probes because of background-free detection of biomolecules in live cells in no-wash conditions. Herein, we introduce a push-pull boron-containing (di ...
A recent implementation of time-dependent tight-binding density functional theory is employed in excited state molecular dynamics for the investigation of the fluorescence quenching mechanism in 3 prototypical aggregation-induced emission systems. An asses ...
A new district energy network has been developed by using CO2 as a heat transfer fluid. Only two pipes are required by the network, thus allowing the recovery of waste heat from the cooling users to be valorized by the heating users. Understanding and pred ...
A fluid drift-reduced description, which accurately describes phenomena occurring on time scales slower than the characteristic gyro-frequencies and space scales longer than the Larmor radii, has been successfully used in recent years to model the dynamics ...
Einstein's stochastic description of the random movement of small objects in a fluid, i.e. Brownian motion, reveals to be quite different, when observed on short timescales. The limitations of Einstein's theory with respect to particle inertia and hydrodyn ...
Flexible barriers have been increasingly used worldwide for mitigating natural hazards involving various geophysical flows. The analysis and design of flexible barriers need to distinguish two major impact mechanisms, runup and pile-up, which remain poorly ...
Vibrational spectroscopy is a fundamental tool to investigate local atomic arrangements and the effect of the environment, provided that the spectral features can be correctly assigned. This can be challenging in experiments and simulations when double pea ...
A fluid drift-reduced description, which accurately describes phenomena occurring on time scales slower than the characteristic gyro-frequencies and space scales longer than the Larmor radii, has been successfully used in recent years to model the dynamics ...
The talk reviews some of the analytical results available for studying the dambreak problem. Emphasis is then given to a thorough comparison between experimental data, analytical results (lubrication theory), and numerical simulations (obtained using the s ...