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Organic spintronics has drawn the interest of the science community due to various applications in spin-valve devices. But to date, an efficient room-temperature Organic Spin Valve device has not been experimentally realized due to the…
Becke and Edgecombe suggested in 1990 a theoretical tool to describe electron localization in atoms and molecules, an idea which was borrowed by a large number of nuclear theorists since 2011 to describe nucleon localization in nuclear…
Zeolites have been used in industrial applications such as catalysts, ion exchangers, and molecular sieves because of their unique porous atomic structures. However, the direct observation of zeolitic local atomic structures via electron…
One possible explanation for magnetosensing in biology, such as avian magnetoreception, is based on the spin dynamics of certain chemical reactions that involve radical pairs. Radical pairs have been suggested to also play a role in…
Since the recent failure events of two particular series of zirconia femoral heads for total hip replacement prosthesis, a large decrease in the use of zirconia ceramics for orthopaedic implants has been observed. In spite of the biomedical…
We determine the wavefunctions of electrons bound to a positively charged mesoscopic metallic cluster covered by an insulating surface layer. The radius of the metal core and the thickness of the insulating surface layer are of the order of…
Understanding the structure and dynamics of Earth's inner core is essential for constraining its composition, thermal evolution, and seismic properties. Silicon is a probable major component of Earth's core. Using first-principles molecular…
Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing…
The use of metamaterial as a way to mitigate the negative effects of absorption in metals on the Purcell effect in metal-dielectric structures is investigated. A layered metal-dielectric structure is considered as an anisotropic medium in…
Metal ions, including copper and zinc, have been implicated in the pathogenesis of Alzheimers disease through a variety of mechanisms including increased amyloid \b{eta} affinity and redox effects. Recent reports have demonstrated that the…
We propose a novel representation of crystalline materials named orbital-field matrix (OFM) based on the distribution of valence shell electrons. We demonstrate that this new representation can be highly useful in mining material data. Our…
Understanding the mechanisms of plasticity in structural steels is essential for the operation of next-generation fusion reactors. Elemental composition, particularly the amount of Cr present, and irradiation can have separate and…
Despite its unrivaled hardness, diamond can be severely worn during the interaction with others, even softer materials. In this work, we calculate from first-principles the energy and forces necessary to induce the atomistic wear of…
We demonstrate the imaging of ferromagnetic carbon steel samples and we detect the thinning of their profile with a sensitivity of 0.1 mm using a Cs radio-frequency atomic magnetometer. Images are obtained at room temperature, in…
Therapeutic ultrasound for brain stimulation has increased in the last years. This energy has shown promising results for treating Alzheimers disease, Parkinsons disease, and traumatic brain injury, among other conditions. However, the…
Bacterial colonization ofimplanted biomedical devicesis themain cause of healthcare-associated infections, estimated to be 8.8 million per year in Europe. Many infections originate from damaged skin, which lets microorganisms exploit…
Pure metals (Cu, Ti, Zr, V, Pd) and diluted Pd-alloys (Pd-Ag, Pd-Pt, Pd-Ru, Pd-Rh) were implanted by 25 keV deuterium ions at fluences in the range (1.2{\div}2.3)x1022 D+/m2. The post-treatment depth distributions of deuterium ions were…
The ability of metal adsorption to transfer charge to the surface of single molecular carbon sheets is explored in this paper. Though other metals are considered we basically will deal with Lithium We concentrate on fairly small sheets and…
For the finite element simulation of thin soft biological tissues in dynamics, shell elements, compared to volume elements, can capture the whole tissue thickness at once, and feature larger critical time steps. However, the capabilities of…
Magnetic particle under external fields can be useful in various medical applications, gaining access to the whole body if deployed in the bloodstream. Localised drug delivery, haemorrhage control, and cancer treatment are among the…