Results 181 to 190 of about 3,728 (241)

Comprehensive DFT Analysis of FeSi and RhSi: Structural Stability, Electronic Contrast and Transport‐Optical Responses

Advanced Physics Research, EarlyView.
This comprehensive density functional theory analysis investigates the structural, electronic, optical, mechanical, and thermoelectric properties of FeSi, c‐RhSi, and o‐RhSi. Results reveal distinct electronic and optical contrasts among the materials.
Md Farhan Hassan, Shaher Azad, Md Salim Hossain, Suptajoy Barua, Md Kamruzzaman   +4 more
wiley   +1 more source

First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg3P2S8

Advanced Physics Research, EarlyView.
The defect diamond‐like material Hg3P2S8 (HPS) is systematically investigated using first‐principles methods to reveal the interplay between highly distorted HgS4 and rigid PS4 units. The HPS material exhibits a strong anisotropic second‐harmonic generation (SHG) response, favorable optical properties, and low thermal conductivity, highlighting its ...
Saravana Karthikeyan SKS, Sankar Ganesh Ramaraj, Ryo Watanabe, Choji Fukuhara, Chang Yi Kong   +4 more
wiley   +1 more source

Novel Negative Poisson's Ratio Lattice Structures with Enhanced Stiffness and Energy Absorption Capacity. [PDF]

Materials (Basel), 2018
Chen Z, Wang Z, Zhou S, Shao J, Wu X.
europepmc   +1 more source

First‐Principles Study of Structural, Mechanical, Electronic, Thermodynamical, and Optical Properties of XGaO2 (X = Rb and Cs): Unlocking Its Green Energy Potential

Advanced Physics Research, EarlyView.
This study employs density functional theory (DFT) to investigate the structural, mechanical, electronic, optical, and thermodynamic properties of RbGaO2 and CsGaO2. The calculated band structures and band‐edge positions indicate semiconducting behavior and favorable alignment for photocatalytic dye degradation and hydrogen evolution, highlighting ...
Md. Zuel Rana, Md. Saiful Islam, Jahid Hasan, Abdul Barik, Mahamud Hasan Reedoy, Afroza Khatun, Md. Abde Mannaf, Ehesanul Hoq, Neelufar Panna, M. S. Alam   +9 more
wiley   +1 more source

Mechanical Metamaterials Foams with Tunable Negative Poisson's Ratio for Enhanced Energy Absorption and Damage Resistance. [PDF]

Materials (Basel), 2018
Cui S, Gong B, Ding Q, Sun Y, Ren F, Liu X, Yan Q, Yang H, Wang X, Song B.   +9 more
europepmc   +1 more source

Exploration of Physical Properties of Sodium‐Based Perovskite Hydrides ANaH3 (A = Hf, Nb, Pd, Ru) for Hydrogen Storage Applications: First Principles Study

Advanced Physics Research, EarlyView.
First‐principles calculations reveal that ANaH3 (where A = Hf, Nb, Pd, Ru) perovskite hydrides combine structural stability, favorable electronic properties, and low hydrogen desorption temperatures (280–369 K). Strong metal–hydrogen interactions and reversible hydrogen storage characteristics identify these materials as promising candidates for ...
Fikadu Takele Geldasa, Francis Birhanu Dejene   +1 more
wiley   +1 more source

Lagomorph cranial biomechanics and the functional significance of the unique fenestrated rostrum of leporids

The Anatomical Record, EarlyView.
Abstract The crania of leporid lagomorphs are uniquely fenestrated, including the posterior cranial bones and the lateral portion of the maxilla. The functional significance of the highly fenestrated rostrum has received considerably little attention, despite being absent in other mammalian herbivores with a long rostrum.
Amber P. Wood‐Bailey, Alana C. Sharp
wiley   +1 more source

Comparative cranial biomechanics reveal macroevolutionary trends in theropod dinosaurs, with emphasis on Tyrannosauroidea

The Anatomical Record, EarlyView.
Abstract Tyrannosaurus is viewed as a model organism in vertebrate paleontology, with numerous studies analyzing its feeding biomechanics. Nonetheless, the evolution of this feeding performance has been under‐addressed in Tyrannosauroidea, especially in basal tyrannosauroids. Here we used muscle‐force reconstruction and finite element analysis (FEA) to
Evan Johnson‐Ransom, Paul Gignac, Daniel E. Barta, Ryan N. Felice, Eric Snively   +4 more
wiley   +1 more source

Systematic exploration of the mechanical properties of 13 621 inorganic compounds. [PDF]

Chem Sci, 2019
Chibani S, Coudert FX.
europepmc   +1 more source