Related papers: Point defects stabilise cubic Mo-N and Ta-N
The rapid deposition of energy by Edge Localised Modes (ELMs) onto plasma facing components, is a potentially serious issue for large Tokamaks such as ITER and DEMO. The trigger for ELMs is believed to be the ideal Magnetohydrodynamic…
We study the stability of nucleated topological phases that can emerge when interacting non-Abelian anyons form a regular array. The studies are carried out in the context of Kitaev's honeycomb model, where we consider three distinct types…
Stacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains poorly established. By integrating…
The microscopic mechanisms involved in the formation/dissociation of methane hydrate confined at the nanometer scale are unraveled using advanced molecular modeling techniques combined with a mesoscale thermodynamic approach. By means of…
Topological defects are singularities in material fields that play a vital role across a range of systems: from cosmic microwave background polarization to superconductors, and biological materials. Although topological defects and their…
The stability mechanism of cuboctahedral clusters in nonstoichiometric uranium dioxide is investigated by first-principles LSDA+U method. Calculations reveal that the structural stability is inherited from U6O12 molecular cluster whereas…
Using a comprehensive structure search and high-throughput first-principles calculations of 1483 compounds, this study presents the phase diagram of Lu-H-N. The formation energy landscape of Lu-H-N was derived and utilized to assess the…
The phase-field-crystal model for liquid crystals is solved numerically in two spatial dimensions. This model is formulated with three position-dependent order parameters, namely the reduced translational density, the local nematic order…
We investigate the radial stability of neutron stars under conditions where their composition may or may not remain in chemical equilibrium during oscillations. Using different equations of state that include nucleons, hyperons, and/or…
Directional media, such as nematic liquid crystals and ferromagnets, are characterized by their topologically stabilized defects in directional order. In nematics, boundary conditions and surface-treated inclusions often create complex…
Hybrid functional calculations reveal the Zn-O divacancy in ZnO, consisting of adjacent Zn and O vacancies, as an electrically active defect exhibiting charge states ranging from $2+$ to $2-$ within the band gap. Notably, the divacancy…
The mechanism of the vacancy ordering in metastable cubic Ge-Sb-Te (c-GST) that underlies the ultrafast phase-change dynamics and prominent thermoelectric properties remains elusive. Achieving a comprehensive understanding of the…
At the atomic scale, uranium-plutonium mixed oxides (U,Pu)O_2 are characterized by cationic chemical disorder, which entails that U and Pu cations are randomly distributed on the cation sublattice. In the present work, we study the impact…
For $M$ $\omega$-categorical and stable, we investigate the growth rate of $M$, i.e. the number of orbits of $Aut(M)$ on $n$-sets, or equivalently the number of $n$-substructures of $M$ after performing quantifier elimination. We show that…
This is the first of two papers about collisionless, electrostatic micro-instabilities in stellarators, with an emphasis on trapped-particle modes. It is found that, in so-called maximum-$J$ configurations, trapped-particle instabilities…
The geometric and electronic structures of NaN, CuN, and AgN metal clusters are systematically studied based on the density functional theory over a wide range of cluster sizes 2=<N=<75. A remarkable similarity is observed between the…
The stability question of the Lane-Emden stationary gaseous star configurations is an interesting problem arising in astrophysics. We establish both linear and nonlinear dynamical instability results for the Lane-Emden solutions in the…
Zirconia (ZrO2) is an important material with technological applications which are affected by point defect physics. Ab-initio calculations are performed to understand the structural and electronic properties of oxygen vacancies and…
Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, there are still very few studies of the Fe-Mg-O ternary system…
Phononic crystals (PnCs) are periodic engineered media that can customize the spatio-temporal characteristics of mechanical energy propagation. PnCs that additionally leverage precisely embedded defects can achieve robust energy…