Related papers: Anomalous Diffusion along Metal/Ceramic Interfaces
Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…
Atomic diffusion at nanometer length scale may differ significantly from bulk diffusion, and may sometimes even exhibit counterintuitive behavior. In the present work, taking Cu/Ni as a model system, a general phenomenon is reported which…
Mg$_3$Sb$_2$ is a promising thermoelectric material that consists of nontoxic and earth-abundant elements. We investigate metallic-atom diffusion in Mg$_3$Sb$_2$ by calculating the defect formation energy and the diffusion energy barrier…
Nanoscale diffusion at the interfaces in multilayers plays a vital role in controlling their physical properties for a variety of applications. In the present work depth-dependent interdiffusion in a Si/Fe/Si trilayer has been studied with…
We report on molecular dynamics simulations of the atomic structure and diffusion processes at Al(110)/Si(001) interphase boundary created by simulated vapor deposition of Al(Si) alloy onto Si(001) substrate. An array of parallel misfit…
Diffusion of heat in metals is a fundamental process which is crucial for a variety of applications of metal nanostructures. Surprisingly, however, {\em ultrafast} heat diffusion received only limited attention so far. Here, we show that…
Molecular dynamics simulation of Al/Ni multilayered foils reveals a range of different reaction pathways depending on the temperature of the reaction. At the highest temperatures Fickian interdiffusion dominates the intermixing process. At…
The Ni-Au-Ga interdiffusion mechanisms taking place during rapid thermal annealing (RTA) under oxygen atmosphere of a Ni-Au/p-GaN contact are investigated by high-resolution transmission electron microscopy (HR-TEM) coupled to energy…
We reveal the microscopic self-diffusion process of compact tri-interstitials in silicon using a combination of molecular dynamics and nudged elastic band methods. We find that the compact tri-interstitial moves by a collective…
We have studied the origin of a counter intuitive diffusion behavior of Fe and N atoms in a iron mononitride (FeN) thin film. It was observed that in-spite of a larger atomic size, Fe tend to diffuse more rapidly than smaller N atoms. This…
Molecular dynamics and parallel-replica dynamics simulations are applied to investigate the atomic structures and diffusion processes at {\text{Al}\{111\}}\parallel{\text{Si}}\{111\} interphase boundaries constructed by simulated vapor…
We have coupled electron microscopy and energy dispersive spectroscopy experiments with \textit{ab-initio} modeling to study the solubility and diffusion of Au in Bi$_2$Te$_3$. We found that thermal annealing of Au films results in Au…
We compare the observed peaked iron abundance profiles for a small sample of groups and clusters with the predictions of a simple model involving the metal ejection from the brightest galaxy and the subsequent diffusion of metals by…
We present a combined experimental and theoretical study of the self-diffusion of ammonia on exfoliated graphite. Using neutron time-of-flight spectroscopy we are able to resolve the ultrafast diffusion process of adsorbed ammonia, NH$_3$,…
Using density-functional theory we investigate several properties of Al(111), Al(100), Al(110), and stepped Al(111) surfaces. We report results of formation energies of surfaces, steps, adatoms, and vacancies. For the adsorption and…
Oxide growth with semiconductor-like accuracy has led to atomically precise thin films and interfaces that exhibit a plethora of phases and functionalities not found in the oxide bulk material. This yielded spectacular discoveries such as…
It is established that liquid metals exhibit surface layering at the liquid-vapor interface, while dielectric simple systems, like those interacting through Lennard-Jones potentials, show a monotonic decay from the liquid density to that of…
While reversibility is a fundamental concept in thermodynamics, most reactions are not readily reversible, especially in solid state physics. For example, thermal diffusion is a widely known concept, used among others to inject dopant atoms…
Interface by definition is two-dimensional (2-D) as it separates 2 phases with an abrupt change in structure and chemistry across the interface. The interface between a metal and its nitride is expected to be atomically sharp, as chemical…
It has been reported that the {\alpha}-Al2O3, a promising tritium permeation barrier material for a fusion reactor, can be grown at low temperatures on the {\alpha}-Cr2O3 template, and that {\alpha}-Al2O3/{\alpha}-Cr2O3 composite films have…