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We study chemical aging in "COOEE bitumen" using molecular dynamic simulations. This model bitumen is composed of four realistic molecule types: saturated hydrocarbon, resinous oil, resin, and asphaltene. The aging reaction is modelled by…
Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…
Efficient excitation and harvesting of hot carriers from nanoscale metals is central to many emerging photochemical, photovoltaic, and ultrafast optoelectronic applications. Yet direct experimental evidence of the relevant femtosecond…
Hydrodynamics and explosive nucleosynthesis in bipolar supernova explosions are examined to account for some peculiar properties of hypernovae as well as peculiar abundance patterns of metal-poor stars. The explosion is supposed to be…
Nematic elastomers are programmable soft materials that display large, reversible and predictable deformation under an external stimulus such as a change in temperature or light. While much of the work in the field has focused on actuation…
Barocalorics (BCs) are emerging as promising alternatives to vapour-phase refrigerants, which are problematic as they exacerbate climate change when they inevitably leak into the atmosphere. However, the commercialisation of BC refrigerants…
A nanoscale-sized Stirling engine with an atomistic working fluid has been modeled using molecular dynamics simulation. The design includes heat exchangers based on thermostats, pistons attached to a flywheel under load, and a regenerator.…
Carbon-oxygen (CO) detonation with reactions terminating either after burning of C$^{12}$ in the leading C$^{12}$ + C$^{12}$ reaction or after burning of C$^{12}$ and O$^{16}$ to Si-group elements may occur in the low-density outer layers…
Chemical reactions typically proceed via stochastic encounters between reactants. Going beyond this paradigm, we combine exactly two atoms into a single, controlled reaction. The experimental apparatus traps two individual laser-cooled…
Energy barrier of oxygen molecule dissociation on carbon nanotube or graphene with different types of nitrogen doping is investigated using density functional theory. The results show that the energy barriers can be reduced efficiently by…
In living cells, cycles of formation and dissolution of liquid droplets can mediate biological functions such as DNA repair. However, the minimal physicochemical prerequisite for such droplet oscillations remains elusive. Here, we present a…
We study the physics of adhesion and the contact mechanics at the nanoscale with a peeling experiment of a carbon nanotube on a flat substrate. Using an interferometric atomic force microscope and an extended force modulation protocol, we…
Nanosecond discharges are characterized by a shift in energy branching toward the excitation of electronic levels and dissociation, making them particularly attractive for plasma chemistry. Understanding the spatiotemporal structure of…
Dark photons, hypothetical feebly interacting massive vector bosons, appear in many extensions of the Standard Model. This study investigates their production and subsequent decay during supernova explosions. We demonstrate that the decay…
New forms of carbon-based materials have received great attention, and the developed materials have found many applications in nanotechnology. Interesting novel carbon structures include the carbon peapods, which are comprised of fullerenes…
New Molecular Dynamics simulations have been carried out in order to get an insight on the physical mechanisms that determine the drift mobility of negative Oxygen ions in very dense Neon gas in the supercritical phase close to the critical…
The temperature dependence of mechanical properties of steel nanowires with varying carbon content was studied using molecular dynamics simulations. Four interatomic potentials were assessed, with the Modified Embedded Atom Method (MEAM)…
The discovery of new energetic materials is critical for advancing technologies from defense to private industry. However, experimental approaches remain slow and expensive while computational alternatives require accurate material property…
We report a strictly non-exponential spontaneous decay dynamics of an excited two-level atom placed inside or at different distances outside a carbon nanotube (CN). This is the result of strong non-Markovian memory effects arising from the…
Explosive nucleosynthesis is a combination of the nuclear physics of thermonuclear reactions, and the hydrodynamics of the plasma in which the reactions occur. It depends upon the initial conditions---the stellar evolution up to the…