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Context. While synthesis of organic molecules in molecular clouds or protoplanetary disks is complex, observations of interstellar grains, analyses of carbonaceous chondrites, and UV photochemistry experiments are rapidly developing and…
Complex organic molecules (COMs) have been widely observed in molecular clouds and protostellar environments. One of the formation mechanisms of COMs is radical reactions on the icy grain surface driven by UV irradiation. While many…
Giant impacts dominate the late stages of accretion of rocky planets. They contribute to the heating, melting, and sometimes vaporizing of the bodies involved in the impacts. Due to fractionation during melting and vaporization,…
Metal-polymer nanocomposites have been investigated extensively during the last years due to their interesting functional applications. They are often produced by vapor phase deposition which generally leads to the self-organized formation…
The recent discovery of methyl formate and dimethyl ether in the gas phase of cold cores with temperatures as cold as 10 K challenges our previous astrochemical models concerning the formation of complex organic molecules. The strong…
The origin of chondrules, and the chondritic sedimentary rocks that dominate the meteoritic record, is a long-standing problem in planetary science. Here, we develop a physical model for the formation of chondritic mixtures as an outcome of…
We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach…
Reactions at a strongly segregated interface of a symmetric binary polymer blend are investigated via Monte Carlo simulations. End functionalized homopolymers of different species interact at the interface instantaneously and irreversibly…
A common approach to model complex chemistry in numerical simulations is via post-processing of existing magneto-hydrodynamic simulations, relying on computing the evolution of chemistry over the dynamic history of a subset of particles…
A Monte-Carlo approach to proton stopping in warm dense matter is implemented into an existing particle-in-cell code. The model is based on multiple binary-collisions among electron-electron, electron-ion and ion-ion, taking into account…
We consider a theoretical model for a binary mixture of colloidal particles and spherical emulsion droplets. The hard sphere colloids interact via additional short-ranged attraction and long-ranged repulsion. The droplet-colloid interaction…
Core-collapse supernovae, occurring at the end of massive star evolution, produce heavy elements, including those in the iron peak. Although the explosion mechanism is not yet fully understood, theoretical models can reproduce optical…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
We model the Comet Shoemaker-Levy 9 - Jupiter impact plumes to calculate synthetic plume views, atmospheric infall fluxes, and debris patterns. Our plume is a swarm of ballistic particles with one of several mass-velocity distributions…
The propagation of uncertainties in reaction cross sections and rates of neutron-, proton-, and $\alpha$-induced reactions into the final isotopic abundances obtained in nucleosynthesis models is an important issue in studies of…
We present observations of 25 transitions of 17 isotopologues of 9 molecules toward B335. With a goal of constraining chemical models of collapsing clouds, we compare our observations, along with data from the literature, to models of…
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum…
Context. Near- and mid-infrared observations have revealed the presence of organic refractory materials in the solar system, in cometary nuclei and on the surface of centaurs, Kuiper-belt and trans-neptunian objects. In these astrophysical…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
AIM: We have recently developed a microscopic Monte Carlo approach to study surface chemistry on interstellar grains and the morphology of ice mantles. The method is designed to eliminate the problems inherent in the rate-equation formalism…