相关论文: UCLCHEM: A Gas-Grain Chemical Code
The advent of ultrafast pulsed X-ray free-electron lasers with very high brightness has enabled the determination of transient molecular structures of small and medium-sized organic molecules in excited states and undergoing chemical…
This is the first of a series of papers that will introduce a user-friendly, detailed, and modular GALactic Chemical Evolution Model, GalCEM, that tracks isotope masses as a function of time in a given galaxy. The list of tracked isotopes…
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution of mobile point defects into so-called space-charge regions…
We introduce ECCOplanets, an open-source Python code that simulates condensation in the protoplanetary disk. Our aim is to analyse how well a simplistic model can reproduce the main characteristics of rocky planet formation. For this…
[Abridged] Ethylene oxide and its isomer acetaldehyde are important complex organic molecules because of their potential role in the formation of amino acids. Despite the fact that acetaldehyde is ubiquitous in the interstellar medium,…
We investigate chemistry in the compression layer behind the interstellar shock waves, where molecular cloud formation starts. We perform three-dimensional magnetohydrodynamics simulations of converging flows of atomic gas with shock…
Disequilibrium chemical processes have a large effect upon the spectra of substellar objects. To study these effects, dynamical disequilibrium has been parameterized using the quench and eddy diffusion approximations, but little work has…
Universal time-temperature scaling of conductivity spectra in disordered solids has been explained by thermally activated hopping of noninteracting particles over random energy barriers. An open problem is whether the random barrier model…
The freezeout of gas-phase species onto cold dust grains can drastically alter the chemistry and the heating-cooling balance of protostellar material. In contrast to well-known species such as carbon monoxide (CO), the freezeout of various…
The study of the physical and chemical properties of gas infall motion in the molecular clumps helps us understand the initial stages of star formation. We used the FTS wide-sideband mode of the IRAM 30-m telescope to observe nine infall…
The evolution of galaxies is largely affected by exchanging material with their close environment, the circumgalactic medium (CGM). In this work, we investigate the CGM and the interstellar medium (ISM) of the bright central galaxy (BCG) of…
N-methylformamide, CH3NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond. The rotational spectrum of the most stable trans conformer of CH3NHCHO is complicated by strong…
Context. Recent Monte Carlo simulations and laboratory studies of interstellar ices have proposed an alternative pathway involving the radical-molecule H-atom abstraction reaction in the overall mechanism of methanol (CH3OH) formation in…
Abstract. Energetic materials, such as explosives, propellants and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special group because of high density of energetic covalent bonds. The…
UKRmol+ is a new implementation of the UK R-matrix electron-molecule scattering code. Key features of the implementation are the use of quantum chemistry codes such as Molpro to provide target molecular orbitals; the optional use of mixed…
The inelastic hard sphere model of granular material is simple, easily accessible to theory and simulation, and captures much of the physics of granular media. It has three drawbacks, all related to the approximation that collisions are…
The broadening of lines by Stark effect is an important tool for inferring electron density and temperature in plasmas. Stark-effect calculations often rely on atomic data (transition rates, energy levels,...) not always exhaustive and/or…
Colloidal gels constitute an important class of materials found in many contexts and with a wide range of applications. Yet as matter far from equilibrium, gels exhibit a variety of time-dependent behaviours, which can be perplexing, such…
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…
In an effort to further our interest in understanding basic chemistry of interstellar molecules, we carry out here an extensive investigation of the stabilities of interstellar carbon chains; Cn, H2Cn, HCnN and CnX (X=N, O, Si, S, H, P, H-,…