Related papers: Short range ordering of heavy element columns in n…
An idealized high entropy oxide is characterized by perfect chemical disorder and perfect positional order. In this work, we investigate the extent to which short-range order (SRO) and local structural distortions impede that idealized…
We discuss fluctuating order in a quantum disordered phase proximate to a quantum critical point, with particular emphasis on fluctuating stripe order. Optimal strategies for extracting information concerning such local order from…
In the framework of the project to design and test a collimation system prototype using bent channeling crystal for cleaning of the RHIC heavy ion beam halo, we have studied the optimal length and bending angle of a silicon (110) single…
The structural properties of the $Zn_xMg_{1-xS_ySe_{1-y}}$ solid solutions are determined by a combination of the computational alchemy and the cluster expansion methods with Monte Carlo simulations. We determine the phase diagram of the…
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…
Nine years ago, superconductors based on the magnetic element iron were discovered. A flurry of research activity has revealed an unprecedented diversity of chemical structures and physical properties. Similarly to other unconventional…
Combining X-ray tomography with simultaneous shear force measurement, we investigate shear-induced granular avalanches using spherical particles with different surface roughness. We find that systems consisting of particles with large…
Refractory multi-principal element alloys (RMPEAs) are promising materials for high-temperature structural applications. Here, we investigate the role of chemical short-range ordering (CSRO) on dislocation glide in two model RMPEAs - TaNbTi…
Combining He ion irradiation and thermal mobility below 600K, we both trigger and control the transformation from chemical disorder to order in thin films of an intermetallic ferromagnet (FePd). Kinetic Monte Carlo simulations show how the…
The distribution of valence electrons in metals usually follows the symmetry of an ionic lattice. Modulations of this distribution often occur when those electrons are not stable with respect to a new electronic order, such as spin or…
We investigate transport properties of topologically disordered, three-dimensional, one-particle, tight binding models, featuring site distance dependent hopping terms. We start from entirely disordered systems into which we gradually…
Recent research in multi-principal element alloys (MPEAs) has increasingly focused on the exploration and exploitation of short-range order (SRO) to enhance material performance. However, the understanding of SRO formation and the precise…
The present work examines the effect of alloying elements (denoted X) on the ideal shear strength for 26 dilute Ni-based alloys, Ni$_{11}$X, as determined by first-principles calculations of pure alias shear deformations. The variations in…
We look at the general SU(2) invariant spin-1 Heisenberg model. This family includes the well known Heisenberg ferromagnet and antiferromagnet as well as the interesting nematic (biquadratic) and the largely mysterious staggered-nematic…
High energy x-ray diffraction is used to investigate the bulk oxygen ordering properties of YBa_2Cu_3O_{6+x}. Superstructures of Cu-O chains aligned along the b axis and ordered with periodicity ma, along the a axis have been observed. For…
Precise determination of the solid-state microstructure of semiconducting polymers is of paramount importance for the further development of these materials in various organic electronic technologies. Yet, prior characterization of the…
Recent progress in two-dimensional superconductors with atomic-scale thicknesses is reviewed mainly from the experimental point of view. The superconducting systems treated here involve a variety of materials and forms: elemental-metal…
Microscopic structures for fcc-based quaternary high-entropy alloys (HEA) in thermodynamically equilibrium state is examined based on first-principles (FP) calculation combined with our recently-developed theoretical approach. We find that…
Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they…
We here study electronic structure and magnetic properties of disordered CoPd and CoPt alloys using Augmented Space Recursion technique coupled with the tight-binding linearized muffin tin orbital (TB-LMTO) method. Effect of short range…