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Computational study of structural, electronic, elastic and vibrational properties of LiAlSi, NaAlSi, and KAlSi Half-Heusler alloys
From the density functional theory framework (DFT) and the pseudo-potentials with a plane wave approach, we present a theoretical investigation of...
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First-principles study of the structural phase transition, elastic and thermodynamic properties of HfCr2
We study the structural phase transition, elastic and thermodynamic properties of HfCr 2 from first-principles calculations. The simulated results are...
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Electronic and elastic properties cubic of LiBH4 and Li(BH)3 as host materials for hydrogen storage
Due to growing interest to explore and predict potential hydrogen storage materials by adopting theoretical and greatly functional software, research...
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First-principles study on structural, electronic, and elastic properties of SrFCl
Structural, electronic, and elastic properties of SrFCl, one of the alkaline-earth fluorohalides, under high pressure were investigated using the...
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DFT analysis of electronic, magnetic and elastic behavior in SmMnO3
The integrated exploration of electronic, magnetic and elastic properties in cubic and orthorhombic phases provides a holistic characterization of...
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Waviness and Agglomeration Affecting on Elastic–Plastic Modulus of CNT Reinforced Composites
AbstractThe nanocomposites reinforced by carbon nanotubes (CNTs) exhibit great advantages in many fields. Many scholars focused on evaluating elastic...
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A Semiempirical Method for Describing the Cross-Section of Elastic Scattering of Low-Energy Electrons on An Atom
AbstractA semiclassical method for describing cross-sections for elastic scattering of electrons with energies above 1 eV on an atom is proposed. The...
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Investigation on electronic structure, magnetic, elastic, mechanical, thermodynamic and thermoelectric properties of Co2MnTi and Co2VZn full heusler alloys
In the current article we have presented a thorough study on structural stability, elastic, mechanical, electronic, magnetic, thermoelectric and...
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Mechanosensitivity of phase separation in an elastic gel
AbstractLiquid–liquid phase separation (LLPS) in binary or multi-component solutions is a well-studied subject in soft matter with extensive...
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Rayleigh-Type Waves in Microstretch Elastic Solid Half-Space Containing Voids
AbstractPropagation of Rayleigh-type surface waves is investigated in a microstretch elastic solid half-space containing voids. Dispersion relation...
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Synthesis, Characterization, Magnetic, Elastic, and Electronic Properties of La2ZnMnO6 Double Perovskite
The perovskite La 2 ZnMnO 6 was successfully synthesised using the conventional solid-state reaction. X-ray diffraction shows that the perovskite La 2 ZnMnO...
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Bending Vibrations of an Elastic Rod Controlled by Piezoelectric Forces
AbstractBending vibrations of a thin elastic rod of rectangular cross section are studied. A number of piezoelectric actuators (piezo elements) are...
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Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K2MBiBr6 (M = Na, Ag, and Cu) for green energy
In the current investigation, we have explored the structural, electrical, optical, thermoelectric, and elastic features of potassium(K) based halide...
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Computational investigations of the structural, optoelectronic, and elastic properties of centrosymmetric ternary chloroperovskites QZnCl3 (Q = Li and Na) compounds for potential energy applications
The basic structural, optical, elastic, and electronic properties are investigated in this research for QZnCl 3 (Q = Li and Na) ternary...
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DFT-Based Investigation of the Structural Stability, Elastic, Electronic, and Magnetic in Pd2CrGe Heusler Alloy
The structural, elastic, electronic, magnetic, and thermodynamic properties of the all-Heusler Pd 2 CrGe alloy are investigated using the...
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Structural, electronic, elastic, optical and thermoelectric properties of ASiCl3 (A = Li, Rb and Cs) chloroperovskites: a DFT study
Chloroperovskites have attracted considerable attention in recent years as promising candidates for various technological applications. Their appeal...
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Analysis of Wave Motion Phenomenon Through a Homogeneous Isotropic Porous Elastic Plate
AbstractThe present investigation is focussed on waves propagation in an isotropic homogeneous, porous elastic plate subjected to conditions in...
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Investigation of structural, electronic, magnetic, elastic and thermodynamic properties of Mn2Cr1−xVxSi (x = 0, 0.25, 0.5, 0.75 and 1) alloys
In this manuscript, the structural, electronic, magnetic, elastic and thermodynamic properties of Mn 2 Cr 1− x V x Si ( x = 0, 0.25, 0.5, 0.75 and 1) alloys...
