Search
Search Results
-
Investigation of structural, electronic, optical and elastic properties of Li-based halide perovskites LiXCl3 (X = Ca, Ba) via DFT computations
First-principles calculations using Density Functional Theory (DFT) and the Wien2k package are used to analyze the structural, electrical, optical,...
-
Insight into the structural, optoelectronic, and elastic properties of AuXF3 (X = Ca, Sr) fluoroperovskites: DFT study
This research paper presents a thorough investigation of the structural, elastic, electronic, and optical properties of AuXF 3 ( X = Ca, Sr) compounds...
-
Structural, electronic, elastic, and magnetic properties of Os2-based full Heusler alloys: a first principal study
In this paper, we investigated the magnetic stability, structural, electronic, and elastic properties of Os 2 YAl, (Y = Cr, Mn, and Fe) using the...
-
Nanohardness and Elastic Modulus of TiNi-TiFe Single and Polycrystals
AbstractThe paper reports on a nanoindentation study of the hardness H and Young’s modulus E in the B2 phase of quasi-binary TiNi-TiFe single...
-
Influence of Terahertz Frequency on the Elastic Constants in 2D Systems
We investigate the influence of terahertz frequency on the elastic constants in extremely degenerate (ED) 2D systems taking quantized films (QFs) and...
-
The investigation of structural, electronic, thermal, and elastic properties of X2ZnH4 (X = K, Rb and Cs) for hydrogen storage applications: DFT study
Hydrogen storage in the solid state method focuses more on attraction and requires large-scale research. Ab initio calculations of zinc-based Alkali...
-
DFT analysis of the electronic, optical, phonon, elastic, and mechanical features of ternary Rb2XS3 (X = Si, Ge, Sn) chalcogenides
Density functional theory (DFT) calculations were executed for the titled features of hitherto unreported Rb 2 XS 3 (X = Si, Ge, Sn) chalcogen...
-
Two-Dimensional Nye Figures for Some Micropolar Elastic Solids
AbstractThe paper is devoted to problems related to two-dimensional Nye figures for micropolar continua. The representation technique known from...
-
Insight into the structural, elastic, optoelectronic, and thermodynamic properties of GaXF3 (X = Se, Si) via density functional theory
The pursuit of new materials with tailored properties is essential for advancing technology. This research focuses on GaXF 3 (X = Se, Si)...
-
Numerical Inverse Elastic Scattering Problems
The elastic wave propagation problems have a wide range of applications, particularly in geophysics, nondestructive testing and seismology. The...
-
First-principles study of structural, elastic, and optoelectronic properties of alkali metal tetrafluoroaurate materials MAuF4 (M = Na, K, and Rb)
This research focuses on the theoretical investigation of the structural, elastic, electronic, and optical properties of alkali metal...
-
Transformation of a Longitudinal Elastic Wave into a Pochhammer Wave
AbstractThe paper reports on a dynamic finite element simulation of the propagation of longitudinal elastic waves in cylindrical plates and...
-
Elastic Kink-Meson scattering
In classical field theory, radiation does not reflect off of reflectionless kinks. In quantum field theory, radiation quanta, called mesons, can be...
-
A Method of Determining the Constants and Parameters of a Damage Accumulation Model with Isotropic and Kinematic Hardening
AbstractThe description of cyclic plasticity requires experimental determination of the constants entered into respective resulting equations. In...
-
Investigating the structural, elastic, and optoelectronic properties of LiXF3 (X = Cd, Hg) using the DFT approach for high-energy applications
Fluoroperovskites, a subgroup of perovskite materials, have gained substantial scientific interest due to their outstanding optoelectronic properties...
-
Structural, elastic, optic, and electronic properties of strontium oxide under pressure studied by first-principles calculations
This study investigates the properties of strontium oxide (SrO) using first-principles calculations within the framework of density functional theory...
-
Generalized Thermo-Microstretch Elastic Solid for Different Theories with Finite Element Method under the Influence of Gravity Field
AbstractThe present paper is aimed at studying the influence of gravity field on the general model of the generalized thermo-microstretch equations...
-
Ab Initio Prediction of the Structural, Elastic and Thermodynamic Properties Under Hydrostatic Pressure of the Ternary Tetragonal Phosphides XRh2P2 (X = Ca, Ba) for Superconducting Application
This study uses density functional theory calculations to study the impact of pressure on the structural, elastic, and thermodynamic properties of...
-
First-principles calculations to investigate elastic anisotropy, lattice dynamic, and thermodynamic properties of Hf-W and Hf-Mo laves phase
Laves phase intermetallic compounds have attracted great attention, due to their excellent physic–chemical properties, which make them potential...
-
Coherent Elastic Nuclear Resonant Scattering
In the field of x-ray diffraction, the intensity and the direction of scattered waves are determined by the properties of the individual scatterers...