Related papers: Metallic nanowires: multi-shelled or filled ?
Low energy nuclear transmutations have been reported in experimental chemical electrolytic cells employing metallic hydride electrodes. Assuming that the nuclear transmutations are induced by ultra-low momentum neutron absorption, the…
The ability to design synthesis processes that are out of equilibrium has opened the possibility of creating nanomaterials with remarkable physico-chemical properties, choosing from a much richer palette of possible atomic architectures…
We apply a recently developed optimization scheme to obtain effective potentials for alkali and alkaline-earth aluminosilicate glasses that contains lithium, sodium, potassium, or calcium as modifiers. As input data for the optimization, we…
The article considers the simulation of the formation of a multilayer nanocomposite, the combination of elements of which gives rise to the effect of a spin valve. The relevance and importance of the effects in the field of spintronics and…
The most critical limitation to the wide-scale use of classical molecular dynamics for alloy design is the availability of suitable interatomic potentials. In this work, we demonstrate a simple procedure to generate a library of accurate…
In recent years it has become possible to study the properties of nanocrystalline metals through atomic-scale simulations of systems with realistic grain sizes. A brief overview of the main results is given, such as the observation of a…
We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…
The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…
We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that…
Molecular dynamics (MD) simulations enable the description of ma- terial properties and processes with atomistic detail by numerically solv- ing the time evolution of every atom in the system. We introduce Poly- merModeler, a…
The possibility of thermal excitation of intrinsic localized modes (ILMs) arising from anharmonicity in ionic perfect crystals is studied numerically for realistic model systems in one and three dimensions. Implications are discussed for an…
Understanding and mastering the mechanical properties of metallic nanoparticles is crucial for their use in a wide range of applications. In this context, we use atomic-scale (Molecular Dynamics) and continuous (Finite Elements)…
Electrochemical methods have recently become an interesting tool for fabricating and characterizing nanostructures at room temperature. Simplicity, low cost and reversibility are some of the advantages of this technique that allows to work…
To facilitate the transition of quantum effects from the controlled laboratory environment to practical real-world applications, there is a pressing need for scalable platforms. One promising strategy involves integrating thermal vapors…
In the current paper a set of experiments dedicated to investigations of local electronic transport in undoped InAs nanowires at helium temperatures in the presence of a charged atomic-force microscope tip is presented. Both nanowires…
Using X- ray photon correlation spectroscopy measurements on gold nanoparticles embedded in polymethylmethacrylate we provide evidence for existence of an intrinsic length scale for dynamic heterogeneity in polymer nanocomposites similar to…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first…
Understanding the cavity formation and cavity growth mechanisms in solids has fundamental and applied importance for the correct determination of their exploitation capabilities and mechanical characteristics. In this work, we present the…
Nanoporous metals or nanofoams are a promising material class that is considered for sensing, actuation, and catalysis. To date, they mostly based on simple noble metals such as nanoporous gold, which exhibit peculiar stress-strain response…