相关论文: Reaction coordinates and rate constants for liquid…
We use a newly commissioned rapid expansion aerosol chamber (REACh) facility to study the homogeneous nucleation of water vapor to form liquid droplets. We perform high-speed measurements to track the partitioning of water into vapor and…
Even though nucleation is ubiquitous in different science and engineering problems, investigating nucleation is extremely difficult due to the complicated ranges of time and length scales involved. In this work, we simulate NaCl nucleation…
This is the third in a series of three papers in which we study a lattice gas subject to Kawasaki dynamics at inverse temperature $\beta>0$ in a large finite box $\Lambda_\beta \subset \mathbb{Z}^2$ whose volume depends on $\beta$. Each…
We theoretically investigate the nucleation of liquid droplets from vapor in the presence of a charged spherical particle. Due to field gradients, sufficiently close to the critical point of the vapor--gas system, the charge destabilizes…
We present results from large-scale molecular dynamics (MD) simulations of homogeneous vapor-to-liquid nucleation. The simulations contain between one and eight billion Lennard-Jones (LJ) atoms, covering up to 1.2 {\mu}s (56 million…
We investigate the nucleation of carbon dioxide (CO$_2$) hydrates from carbon dioxide aqueous solutions by means of molecular dynamics simulations using the TIP4P/Ice and the TraPPE models for water and CO$_2$ respectively. We work at 400…
Saturation models -- colour glass condensate and string percolation -- impose a strict relation between the average transverse momentum, <P_T>, and the rapidity particle densities, dn/dy. By combining this relation with an appropriate…
Molecular Dynamics (MD) simulations are a powerful tool for studying matter at the atomic scale. However, to simulate solids, an initial atomic structure is crucial for the successful execution of MD simulations, but can be difficult to…
The appearance of the strongly interacting matter mixed phase (MP)has been suggested to consider to understand qualitatively the regime change existence in the behavior of some centrality depending characteristics of events. The MP has been…
Using molecular dynamics simulations, we study the slow dynamics of supercooled liquids confined in a random matrix of immobile obstacles. We study the dynamical crossover from glass-like to Lorentz-gas-like behavior in terms of the density…
In this work, we give a characterization of the reservoir computer (RC) by the network structure, especially the probability distribution of random coupling constants. First, based on the path integral method, we clarify the universal…
To predict the radiative forcing of clouds it is necessary to know the rate with which ice homogeneously nucleates in supercooled water. Such rate is often measured in drops to avoid the presence of impurities. At large supercooling small…
Finding optimal reaction coordinates and predicting accurate kinetic rates for activated processes are two of the foremost challenges of molecular simulations. We introduce an algorithm that tackles the two problems at once: starting from a…
During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its…
We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means of a non-equilibrium projection…
We write equations of motion for density variables that are equivalent to Newtons equations. We then propose a set of trial equations parameterised by two unknown functions to describe the exact equations. These are chosen to best fit the…
Considering turbulent clouds containing small inertial particles, we investigate the effect of particle collision, in particular collision-coagulation, on particle clustering and particle relative motion. We perform direct numerical…
In view of the application to supernova simulations, we calculate neutrino reaction rates with nucleons via the neutral and charged currents in the supernova core in the relativistic random phase approximation (RPA) and study their effects…
Exploring nonlinear chemical dynamic systems for information processing has emerged as a frontier in chemical and computational research, seeking to replicate the brain's neuromorphic and dynamic functionalities. We have extensively…
Water droplets coalesce into larger ones in atmospheric clouds to form rain. But droplets on collision courses do not always coalesce due to the cushioning effects of the air between them. The extent to which these so-called hydrodynamic…