Related papers: Reaction coordinates and rate constants for liquid…
Particle number fluctuations and correlations in nucleus-nucleus collisions at SPS and RHIC energies are studied within microscopic transport approaches. In this review we focus on the Hadron-String-Dynamics (HSD) and…
Background and Objective: This proof of concept study investigates mathematical modelling of blood flow and oxygen transport in cerebral microcirculation, focusing on understanding hemodynamic responses. By coupling oxygen transport models…
For over 30 years, mode-coupling theory (MCT) has been the de facto theoretic description of dense fluids and the liquid-glass transition. MCT, however, is limited by its ad hoc construction and lacks a mechanism to institute corrections.…
We investigate the collective dynamics of self-propelled droplets, confined in a one dimensional micro-fluidic channel. On one hand, neighboring droplets align and form large trains of droplets moving in the same direction. On the other…
By employing a simplified nonlinear memory function proposed recently by the present author, a universal equation for a collective-intermediate scattering function derived based on the time-convolutionless mode-coupling theory is…
We report a Molecular Dynamics study of homogenous bubble nucleation in a Lennard-Jones fluid. The rate of bubble nucleation is estimated using forward-flux sampling (FFS). We find that cavitation starts with compact bubbles rather than…
Understanding kinetics including reaction pathways and associated transition rates is an important yet difficult problem in numerous chemical and biological systems especially in situations with multiple competing pathways. When these…
We propose an approximation for the total ice nucleation rate J=J(T,R) in supercooled water droplets as a function of both droplet radius R and temperature T, taking account of both volume-based and surface-stimulated nucleation modes. Its…
The relation between nuclear saturation and NN-correlations is examined. Nucleons bound in a nucleus have a reduced effective mass due to the mean field. This results in off-energy-shell scatterings modifying the free-space NN-interaction…
This paper considers the use of recently proposed optimal transport-based multivariate test statistics, namely rank energy and its variant the soft rank energy derived from entropically regularized optimal transport, for the unsupervised…
The nucleation of vapor bubbles within a superheated fluid is studied using density functional theory. The nudged elastic band technique is used to find the minimum energy pathway from the metastable uniform liquid to the stable uniform gas…
Despite numerous efforts from numerical approaches to complement experimental measurements, several fundamental challenges have still hindered one's ability to truly provide an atomistic picture of the nucleation process in nanocrystals.…
A full equilibrium treatment of molecular aggregation is presented for prototypes of 1D and 3D aggregates, with and without nucleation. By skipping complex kinetic parameters like aggregate size-dependent diffusion, the equilibrium…
In fluids under temperature gradients, long-range correlations (LRCs) emerge generically, leading to enhanced density fluctuations. This phenomenon, characterized by the $\boldsymbol{q}^{-4}$ divergence in the static structure factor (where…
This study explores a simplified one-dimensional subchannel of a graphite-moderated nuclear reactor operating with a gaseous core in steady-state conditions, reproducing a neutronic-thermal-fluid-dynamics coupled problem with thermal…
Investigations have shown that the collective motion not only appears in nucleus-nucleus but also in p-p collisions. The best tool for depicting such collective motion is relativistic hydrodynamics. In this paper, the collective motion is…
This paper extends the notion of information processing capacity for non-independent input signals in the context of reservoir computing (RC). The presence of input autocorrelation makes worthwhile the treatment of forecasting and filtering…
We present a detailed theory for the total reaction rate constant of a composite core-shell nanoreactor, consisting of a central solid core surrounded by a hydrogel layer of variable thickness, where a given number of small catalytic…
Reservoir computing (RC), first applied to temporal signal processing, is a recurrent neural network in which neurons are randomly connected. Once initialized, the connection strengths remain unchanged. Such a simple structure turns RC into…
The multivariable theory of nucleation [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)] is applied to the droplet nucleation in a supersaturated single-component vapor; the droplet volume V, temperature T, and volume change rate…