Educational trends post COVID-19 in engineering: Virtual laboratories.

The rapid advance of Information and Communication Technology (ICT) in recent times and the current pandemic caused by COVID-19 have profoundly transformed society and the economy in most of the world. The education sector has benefited from this ICT-driven revolution, which has provided and expanded multiple new tools and teaching methods that did not exist just a few decades ago. In light of this technological change, virtual laboratories (VLs) based on the use of virtual reality (VR) have emerged, which are increasingly used to facilitate the teaching-learning process in a wide range of training activities, both academic and professional types.

Computational modeling of intraocular drug delivery supplied by porous implants.

New and efficient drug delivery to the posterior part of the eye is a growing health necessity worldwide. Current treatment of eye diseases, such as age-related macular degeneration (AMD), relies on repeated intravitreal injections of drug-containing solutions. Such a drug delivery has major drawbacks including short drug life, significant medical service, and high medical cost.

Effects of crystal orientation and diameter on the mechanical properties of single-crystal MgAlO spinel nanowires.

The influence of crystal orientation (including [100], [110], and [111]) and diameter (ranging from 2 to 10 nm) on the tensile deformation behavior and mechanical properties of single-crystal spinel (MgAlO) nanowires is investigated using molecular dynamics simulations. Varied deformation characteristics and fracture modes are revealed when the tensile loading is applied in the differently oriented nanowires. Mechanical properties including elastic modulus and ultimate tensile strength of spinel nanowires are distinctly dependent on size in each crystal orientation.

The role of hierarchical design and morphology in the mechanical response of diatom-inspired structures via simulation.

Diatoms are microscopic algae with intricate shell morphologies and features ranging from the nanometer to the micrometer scale, which have been proposed as templates for drug delivery carriers, optical devices, and metamaterials design. Several studies have found that diatom shells show unique mechanical properties such as high specific strength and resilience. One hypothesis is that these properties stem from the structural arrangement of the material at the nanometer and micrometer length scales, challenging the concept between what constitutes a "material" versus a "structure".

An integrated approach for probing the structure and mechanical properties of diatoms: Toward engineered nanotemplates.

The wide variety of diatom frustule shapes and intricate architectures provide viable prototypes to guide the design and fabrication of nanodevices and nanostructured materials for applications ranging from sensors to nanotemplates. In this study, a combined experimental-simulation method was developed to probe the porous structure and mechanical behavior of two distinct marine diatom species, Coscinodiscus sp. (centric) and Synedra sp.

Novel 3D/VR interactive environment for MD simulations, visualization and analysis.

The increasing development of computing (hardware and software) in the last decades has impacted scientific research in many fields including materials science, biology, chemistry and physics among many others. A new computational system for the accurate and fast simulation and 3D/VR visualization of nanostructures is presented here, using the open-source molecular dynamics (MD) computer program LAMMPS. This alternative computational method uses modern graphics processors, NVIDIA CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods.

Scalable nanohelices for predictive studies and enhanced 3D visualization.

Spring-like materials are ubiquitous in nature and of interest in nanotechnology for energy harvesting, hydrogen storage, and biological sensing applications. For predictive simulations, it has become increasingly important to be able to model the structure of nanohelices accurately. To study the effect of local structure on the properties of these complex geometries one must develop realistic models.

Anomalous surface states modify the size-dependent mechanical properties and fracture of silica nanowires.

Molecular dynamics simulations of amorphous silica nanowires under tension were analyzed for size and surface stress effects on mechanical properties and for structural modifications via bond angle distributions. Their fracture behavior was also investigated beyond the elastic limit. The Young's moduli of silica nanowires were predicted to be about 75-100 GPa, depending on the nanowire size.

Transformations in the medium-range order of fused silica under high pressure.

Molecular dynamics simulations of fused silica at shock pressures reproduce the experimental equation of state of this material and explain its characteristic shape. We demonstrate that shock waves modify the medium-range order of this amorphous system, producing changes that are only clearly revealed by its ring size distribution. The ring size distribution remains practically unchanged during elastic compression but varies continuously after the transition to the plastic regime.