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This article presents a brief review of the nanoscale free-electron model, which provides a continuum description of metal nanostructures. It is argued that surface and quantum-size effects are the two dominant factors in the energetics of…
This work introduces a model for large-strain, geometrically nonlinear elasto-plastic dynamics in single crystals. The key feature of our model is that the plastic dynamics are entirely driven by the movement of dislocations, that is,…
In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled…
Nanostructured films obtained by the assembling of preformed atomic clusters are of strategic importance for a wide variety of applications. The deposition of clusters produced in the gas phase onto a substrate offers the possibility to…
The assembly of nanometer-sized building blocks into complex morphologies is not only of fundamental interest but also plays a key role in material science and nanotechnology. We show that the shape of self-assembled superstructures formed…
It is well known that diamond does not deform plastically at room temperature and usually fails in catastrophic brittle fracture. Here we demonstrate room-temperature dislocation plasticity in sub-micrometer sized diamond pillars by in-situ…
Magnetic properties with 3 different sizes of Ni nanochains, synthesized by a technique of wet chemical solution, have been investigated experimentally. The sample sizes are 50 nm, 75 nm, and 150 nm with a typical length of a few microns.…
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…
Engineering nanostructures from the bottom up enables the creation of carefully engineered complex structures that are not accessible via top down fabrication techniques, in particular, complex periodic structures for applications in…
Using a recently-proposed mathematical model for intercalation dynamics in phase-separating materials [Singh, Ceder, Bazant, Electrochimica Acta 53, 7599 (2008)], we show that the spinodal and miscibility gaps generally shrink as the host…
Size plays an important role on the deformation mechanism of nanopillars. With decreasing size, many FCC nanopillars exhibit dislocation starvation state which is responsible for their high strength. However, many details about the…
The influence of the crystal structure inhomogeneities on the magnetic properties of cobalt nanoparticles with different aspect ratio and spherical nanoparticles of chromium dioxide, cobalt ferrite and magnetite has been studied by means of…
Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…
Self-assembly is a fundamental concept in biology and of significant interest to nanotechnology. Significant progress has been made in characterizing and controlling the properties of the resulting structures, both experimentally and…
We model the stabilization of clusters and lattices of cuboidal particles with long-ranged magnetic dipolar and short-ranged surface interactions. Two realistic systems were considered: one with magnetization orientated in the [001]…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
In this article, we investigate the creep mechanism of clay at the nanoscale. We conduct the molecular dynamics (MD) modeling of clay samples consisting of hexagonal particles under compression and shear. The MD simulations include…
Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…
The growth of a crystal is usually determined by its surface. Many factors influence the growth dynamics. Energy barriers associated with the presence of steps most often decide about the emerging pattern. The height and type of…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…