Related papers: Anisotropic work function of elemental crystals
A fundamental challenge in materials design is linking building block attributes to crystal structure. Addressing this challenge is particularly difficult for systems that exhibit emergent order, such as entropy-stabilized colloidal…
Polycrystalline La$_{7}$Ir$_{3}$ is reported to show superconductivity breaking time-reversal symmetry while also having an isotropic $s$-wave gap. Single crystals of this noncentrosymmetric superconductor are highly desirable to understand…
Physical experiments can characterize the elastic response of granular materials in terms of macroscopic state-variables, namely volume (packing) fraction and stress, while the microstructure is not accessible and thus neglected. Here, by…
A method is presented for finding anisotropic distribution functions for stellar systems with known, spherically symmetric, densities, which depends only on the two classical integrals of the energy and the magnitude of the angular…
We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces the number of features required to…
The existence of approximately 30 noncentrosymmetric metals (NCSM) suggests a contraindication between crystal structures without inversion symmetry and metallic behavior. Those containing oxygen are especially scarce. Here we propose and…
The upper critical field $\mu_0H_{c2}(T_c)$ of LiFeAs single crystals has been determined by measuring the electrical resistivity using the facilities of pulsed magnetic field at Los Alamos. We found that $\mu_0H_{c2}(T_c)$ of LiFeAs shows…
The lack of the theory of the crystalline electric field (CEF) in rare-earth based quasicrystal (QC) and approximant crystal (AC) has prevented us from understanding the electronic states. Recent success of the formulation of the CEF theory…
Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their physical capabilities. The mechanical properties of these…
The measurement of the lattice-parameter of silicon by x-ray interferometry assumes the use of strain-free crystals. This might not be the case because surface relaxation, reconstruction, and oxidation cause strains without the application…
In this work we suggest a theoretical approach, that allows to study the effects of magnetocrystalline anisotropy (MCA) in metallic systems using the Green`s functions formalism. We demonstrate that employment of the reciprocal space…
Designing anisotropic structured materials by reducing symmetry results in unique behaviors, such as shearing under uniaxial compression or tension. This direction-dependent coupled mechanical phenomenon is crucial for applications such as…
Magnetic anisotropy plays an essential role in information technology applications of magnetic materials, providing a means to retain the long-term stability of a magnetic state in the presence of thermal fluctuations. Anisotropy consists…
Driven by the growing interest in numerical simulations of dislocation-interface interactions in general crystalline materials with elastic anisotropy, we develop algorithms for the integration of interface tractions needed to couple…
The finite element method and dimensional analysis have been applied in the present paper to study a hydraulic impact, which is utilized in a non-explosive rock breaking technology in mining industry. The impact process of a high speed…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way by Density Functional Theory calculations. The program…
Conventionally, high-throughput computational materials searches start from an input set of bulk compounds extracted from material databases, and this set is screened for candidate materials for specific applications. In contrast, many…
A two-dimensional fracture model where the interaction among elements is modeled by an anisotropic stress-transfer function is presented. The influence of anisotropy on the macroscopic properties of the samples is clarified, by…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…