Related papers: On the Interfacial Phase Growth and Vacancy Evolut…
Attosecond charge migration is a periodic evolution of the charge density of a molecule on a time scale defined by the energy intervals between the electronic states involved. Here, we report the observation of charge migration in neutral…
Microstructural evolution of NMC secondary particles during the battery operation drives the electrochemical performance and impacts the Li-ion battery lifetime. In this work, we develop an in situ methodology using the FIB/SEM instrument…
Within a mean-field approximation, the ground state and finite temperature phase diagrams of the two-dimensional Kondo lattice model have been carefully studied as functions of the Kondo coupling $J$ and the conduction electron…
We report the results of a 3D particle-in-cell (PIC) simulation carried out to study the early-stage evolution of the shock formed when an unmagnetized relativistic jet interacts with an ambient electron-ion plasma. Full-shock structures…
A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…
Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides. In this study, we have developed a phase…
This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…
A model is presented for two-dimensional superconductivity at semiconductor-on-metal interfaces mediated by Coulomb interactions between electronically-active interface charges in the semiconductor and screening charges in the metal. The…
Interfacial ultrafast electron migration processes are simulated in finite cluster models of dye-sensitized solar cells within a single active electron approach. Initially, three different donor-acceptor $\pi$-conjugated dyes supported on…
We develop a model of dust evolution in a multiphase, inhomogeneous ISM including dust growth and destruction processes. The physical conditions for grain evolution are taken from hydrodynamical simulations of giant molecular clouds in a…
Transition metal dichalcogenides host a variety of charge density wave phases that couple lattice, charge, and correlation effects. In 1T-TaS2, the commensurate and nearly commensurate states are well characterized, yet the transition near…
Cu$_2$Se is a mixed ionic-electronic conductor with outstanding thermoelectric performance originally envisioned for space missions. Applications were discontinued due to material instability, where elemental Cu grows at the electrode…
This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells…
The in-plane magnetoconductance of the strongly interacting two-dimensional electron system in a silicon MOSFET (metal-oxide-semiconductor-field-effect transistor) exhibits an unmistakeable kink at a well-defined electron density, $n_k$.…
The paper addresses the problem of a Mode III interfacial crack advancing quasi-statically in a heterogeneous composite material, that is a two-phase material containing elastic inclusions, both soft and stiff, and defects, such as…
Molecular dynamics simulations are performed to study spatially heterogeneous dynamics in a model of viscous silica above and below the critical temperature of the mode coupling theory, $T_{MCT}$. Specifically, we follow the evolution of…
We study the early-stages of ordering in $Cu_3 Au$ using a model Hamiltonian derived from the effective medium theory of cohesion in metals: an approach providing a microscopic description of interatomic interactions in alloys. Our…
We perform a linear perturbation analysis of expanding shells driven by expansions of HII regions. The ambient gas is assumed to be uniform. As an unperturbed state, we develop a semi-analytic method for deriving the time evolution of the…
The annealing kinetics of mobile intrinsic defects is investigated by an ab initio method based on density functional theory. The interstitial-vacancy recombination, the diffusion of vacancies and interstitials to defect sinks (e.g.…
We probe the extent to which dislocations reduce carrier lifetimes and alter luminescence and growth morphology in InAs quantum dots (QD) grown on silicon. These heterostructures are key ingredients to achieving a highly reliable…