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We study the internal dynamics of an elementary quantum system placed close to a body held at a temperature different from that of the surrounding radiation. We derive general expressions for lifetime and density matrix valid for bodies of…
We perform a quantitative analysis of the cooling dynamics of three-level atomic systems interacting with two distinct lasers. Employing sparse-matrix techniques, we find numerical solutions to the fully quantized master equation in steady…
The thermodynamic mixing properties of alkali feldspar solid solutions between the Na and K end members were computed through atomistic simulations using a neural network potential. We performed combined molecular dynamics and Monte Carlo…
The size-dependent phase stability of gamma-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the gamma-Al2O3 crystal, a bulk transformation to alpha-Al2O3 by an FCC-to-HCP…
The field of levitodynamics has made significant progress towards controlling and studying the motion of a levitated nanoparticle. Motional control relies on either autonomous feedback via a cavity or measurement-based feedback via external…
Aluminum nanoparticles (ANPs) are among the most energy-dense solid fuels, yet the atomic mechanisms governing their transition from passivated particles to explosive reactants remain elusive. This stems from a fundamental computational…
An optimal control approach based on multiple parameter genetic algorithms is applied to the design of plasmonic nanoconstructs with pre-determined optical properties and functionalities. We first develop nanoscale metallic lenses that…
Crystallization represents a fundamental process engendering solidification of a material and determines its microstructure. Driven by complex phenomena at the atomic scale, its understanding for alloys still remains elusive. The present…
The application of nanocrystals as heterogeneous catalysts and plasmonic nanoparticles requires fine control of their shape and chemical composition. A promising idea to achieve synergistic effects is to combine two distinct chemical and/or…
The intermetallic compound Zr3Al is severely deformed by the method of repeated cold rolling. By X-ray diffraction it is shown that this leads to amorphization. TEM investigations reveal that a homogeneously distributed debris of very small…
Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from…
The opportunity to manipulate small-scale objects pushes us to the limits of our understanding of physics. Particularly promising in this regard is the interdisciplinary field of levitation, in which light fields can be harnessed to isolate…
Freezing and melting of large three-dimensional complex plasmas under microgravity conditions is investigated. The neutral gas pressure is used as a control parameter to trigger the phase changes: Complex plasma freezes (melts) by…
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypical example, with decades of investigation having connected…
This paper describes an algorithm for selecting parameter values (e.g. temperature values) at which to measure equilibrium properties with Parallel Tempering Monte Carlo simulation. Simple approaches to choosing parameter values can lead to…
Aluminum alloys, the most widely utilized lightweight structural materials, predominantly depend on coherent complex-structured nano-plates to enhance their mechanical properties. Despite several decades of research, the atomic-scale…
Fragment energy spectra of neutron deficient isotopes are significantly more energetic than those of neutron rich isotopes of the same element. This trend is well beyond what can be expected for the bulk multi-fragmentation of an…
Nonneutral plasmas can be trapped for long times by means of combined electric and magnetic fields. Adiabatic cooling is achieved by slowly decreasing the trapping frequency and letting the plasma occupy a larger volume. We develop a fully…
Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their structure and chemical ordering is rather challenging. Part…
Grain size engineering, particularly reducing grain size into the nanocrystalline regime, offers a promising pathway to further improve the strength-to-weight ratio of Al alloys. Unfortunately, the fabrication of nanocrystalline metals…