Related papers: Reactive Molecular Dynamics Simulation of a Buckyb…
Development of new greenhouse gas scavengers is actively pursued nowadays. Volatility caused solvent consumption and significant regeneration costs associated with the aqueous amine solutions motivate search for more technologically and…
The pattern of nucleosynthesis during the explosion of a low-mass neutron star formed in a close binary system in the stripping scenario is considered. In the scenario considered the shock arising during the explosion is shown to strongly…
Nanoconfined aqueous environments and the recent advent of accelerated chemistry in microdroplets are increasingly being investigated for catalysis. The mechanisms underlying the enhanced reactivity in alternate solvent environments, and…
Using electrospray ion beam deposition, we collide the complex molecule Reichardt's Dye (C41H30NO+) at low, hyperthermal translational energy (2-50 eV) with a Cu(100) surface and image the outcome at single-molecule level by scanning…
We propose a model based on quantum molecular dynamics (QMD) incorporated with statistical decay model (SDM) to describe various nuclear reactions in an unified way. In this first part of the work, the basic ingredients of the model are…
The strong degeneracy of the 12C ignition layer on an accreting neutron star results in a hydrodynamic thermonuclear runaway, in which the nuclear heating time becomes shorter than the local dynamical time. We model the resulting combustion…
The shock response of two-dimensional model high explosive crystals with various arrangements of circular voids is explored. We simulate a piston impact using molecular dynamics simulations with a Reactive Empirical Bond Order (REBO) model…
Nonequilibrium plasmas generated by spark discharges induce chemical, thermal, and flow dynamic effects that are beneficial in many applications such as plasmalysis, plasma-assisted combustion, and plasma flow control. Among the flow…
Gamma- and X-rays resulting from radioactive decays provide a potentially powerful tool to investigate the explosion physics of supernovae, since the distribution and the amount of radioactive isotopes are strongly dependent on properties…
Radioactive decay of unstable atomic nuclei leads to liberation of nuclear binding energy in the forms of gamma-ray photons and secondary particles (electrons, positrons); their energy then energises surrounding matter. Unstable nuclei are…
With increasing interest in the use of glassy carbon (GC) for a wide variety of application areas, the need for developing fundamental understanding of its mechanical properties has come to the forefront. Further, recent theoretical and…
Aluminum-oxygen reaction is important in many highly energetic, high pressure generating systems. Recent experiments with nanostructured thermites suggest that oxidation of aluminum nanoparticles occurs in a few microseconds. Such rapid…
We investigate a new generation of fullerene nano-oscillators: a single-walled carbon nanotube with one buckyball inside with an operating frequency in the tens-of-gigahertz range. A quantitative characterization of energy dissipation…
We study the physical properties and molecular excitation of the different warm gas components found in the protoplanetary nebula CRL 618. We revise our previous Herschel/HIFI observations, which consist of several 12CO and 13CO lines in…
Direct fired supercritical CO2 (sCO2) power cycles allow for the combustion of gaseous fuels under oxyfuel conditions with inherent carbon capture. As the CO2 is captured intrinsically, the efficiency penalty of capture on the overall plant…
Glycerol and trehalose-glycerol binary solutions are glass-forming liquids with remarkable bioprotectant properties. Incoherent quasielastic neutron scattering (QENS) is used to reveal the different effects of nanoconfinement and addition…
The recent surge of interest in brain-inspired computing and power-efficient electronics has dramatically bolstered development of computation and communication using neuron-like spiking signals. Devices that can produce rapid and…
The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable…
Reactive multilayer thin films, a class of energetic materials, are increasingly recognized for their potential in joining applications, utilizing the chemical energy released as heat during exothermic reactions. These materials hold also…
A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational…