Related papers: Polarizabilities of Intermediate Sized Lithium Clu…
We calculate bending moduli along the principal directions for thirty-two select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering representative materials from each of Groups IV, V, III-V…
We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact exchange in hybrid density functional theory to eliminate…
Ultracold atoms confined in a dipole trap are submitted to a potential whose depth is proportional to the real part of their dynamic dipole polarizability. The atoms also experience photon scattering whose rate is proportional to the…
We present new results from a series of LCDM simulations of cluster mass halos resolved with high force and mass resolution. These results are compared with recently published simulations from groups using various codes including PKDGRAV,…
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…
Amorphous phosphorus (a-P) has long attracted interest because of its complex atomic structure, and more recently as an anode material for batteries. However, accurately describing and understanding a-P at the atomistic level remains a…
With the rapid development of energy storage technology, high-performance solid-state electrolytes (SSEs) have become critical for next-generation lithium-ion batteries. These materials require high ionic conductivity, excellent…
We introduce a versatile and spatially resolved morphological characterisation of binary fields, rooted in the opening transform of mathematical morphology. We subsequently apply it to the thresholded ionization field in simulations of…
In this study, we report a comprehensive calculation of static dipole polarizabilities for group 12 elements using the finite-field approach in conjunction with the relativistic coupled-cluster method, including single, double, and…
The induced surface charges appear to diverge when dielectric particles form close contacts. Resolving this singularity numerically is prohibitively expensive because high spatial resolution is needed. We show that the strength of this…
We investigate the degree of $\alpha$ ($^4$He nucleus) clustering in the ground-state density profiles of $^{44}$Ti and $^{52}$Ti. Two types of density distributions, shell- and cluster-model configurations, are generated fully…
We analyze the density profiles and virial radii for a sample of 90 nearby clusters, using galaxies with available redshifts and positions. Each cluster has at least 20 redshifts measured within an Abell radius, and all the results come…
Context. Anomalous microwave emission (AME) is a component of interstellar medium emission peaking at 10-60 GHz. Its polarization is both a CMB foreground and a probe of the alignment physics of very small dust grains. Aims. We quantify…
In order to study the fragmentation of massive dense cores, which constitute the cluster cradles, we observed with the PdBI in the most extended configuration the continuum at 1.3 mm and the CO(2-1) emission of four massive cores. We detect…
Estimating the tortuosity of porous electrodes is important for understanding the performance of lithium-ion batteries and optimizing the design of electrode microstructures. In this work, a new method for estimating the tortuosity of…
We present the results from extensive, new observations of the Perseus Cluster of galaxies, obtained as a Suzaku Key Project. The 85 pointings analyzed span eight azimuthal directions out to 2 degrees = 2.6 Mpc, to and beyond the virial…
Spontaneous polarization is essential for ferroelectric functionality in non-centrosymmetric crystals. High-integration-density ferroelectric devices require the stabilization of ferroelectric polarization in small volumes. Here,…
Finding the optimal random packing of non-spherical particles is an open problem with great significance in a broad range of scientific and engineering fields. So far, this search has been performed only empirically on a case-by-case basis,…
The electric dipole strength distribution in $^{58}$Ni between 6 and 20 MeV has been determined from proton inelastic scattering experiments at very forward angles at RCNP, Osaka. The experimental data are rather well reproduced by…
The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…