A DFT investigation of Li substitution in CsCaY3 (YF, Cl, Br) having admirable optoelectronic characteristics as a viable candidate for photocatalytic water splitting

MA Jawad, SSA Gillani - International Journal of Hydrogen Energy, 2024 - Elsevier
In this study we investigated pristine and Li substituted Cs 1-x Li x CaY 3 (Ydouble bondF,
Cl, Br) lead free halide perovskite with different concentrations x= 0, 0.11, 0.33, 0.55, 0.77 …

First principles computation of insulator–semiconductor–metal transition and its impact on structural, elastic, mechanical, anisotropic and optical properties of CsSrF3 …

MD Rafique, M Awais, F Gulzar, SSA Gillani - Molecular Simulation, 2023 - Taylor & Francis
ABSTRACT A fluro-perovskite Cesium Strontium Fluoride (CsSrF3) has been explored, for
the first time, in terms of structural, elastic, mechanical, anisotropic, electronic and optical …

Experimental and numerical study of the orthotropic behavior of 3D printed polylactic acid by material extrusion: part two: an analysis about poisson´ s ratios

G Torrente-Prato, L Sosa-Vivas… - Progress in Additive …, 2024 - Springer
The anisotropic behavior of the engineering parts made by 3D prints is one of the main
challenges of Additive Manufacturing. The Poisson's´ Ratios are the negatives of the ratios …

Doping induced modulation in structural, electronic, optical, elastic and mechanical properties of RbPbF3: Insights from DFT computation

F Gulzar, S Siddique, SSA Gillani, N Abbas… - Materials Science and …, 2024 - Elsevier
We use multiple dopants to examine changes in the physical properties of the pure
compound RbPbF 3. The structure of the pure compound remains cubic at Mg, Ca and Sr …

Influence of fabric weave on thermal radiation resistance and water vapor permeability

A Kiš, S Brnada, S Kovačević - Polymers, 2020 - mdpi.com
In this work, aramid fibers were used to develop new, high-performance fabrics for high-
temperature protective clothing. The research was based on the impact of the weave …

Experimental and numerical determination of strength characteristics related to paraglider wing with fourier transform infrared spectroscopy of applied materials

P Maślanka, A Aleksieiev, R Korycki, H Szafrańska… - Materials, 2022 - mdpi.com
The aim of paper is to determine experimentally and numerically the strength characteristics
related to the paraglider wing with Fourier transform infrared spectroscopy of applied …

[HTML][HTML] Mechanical Properties of TWILL Carbon Fiber Fabric-Reinforced Single-Layer Thermoplastic Polyamide and Polybutylene Terephthalate-Based Composite …

K Balcer, D Boroński - Materials, 2025 - mdpi.com
This study investigates carbon fabric-reinforced thermoplastic composites produced via hot
pressing, using Polyamide PA6 and Polybutylene Terephthalate (PBT) as matrix materials …

Numerical modeling of flax-woven reinforced composites submitted to quasi-static indentation and low velocity impact

A Leroy, D Scida, É Roux… - … Journal of Damage …, 2024 - journals.sagepub.com
The aim of this paper is to provide a numerical modeling tool for flax-woven reinforced
laminates submitted to Low Velocity Impact (LVI) and Quasi-Static Indentation (QSI). The …

Computational investigation to explore the effects of metals (Mg, Ca, Sr) doping on phase transition, electronic band structure and their repercussions on optical …

SSA Gillani, M Awais, M Atif, I Zeba, M Shakil… - Physica …, 2022 - iopscience.iop.org
The effect of metals (Mg, Ca, Sr) doping concentration on phase transition, electronic band
structure, and their repercussions on the optical, elastic, and mechanical properties of …

[HTML][HTML] Material, Aerodynamic, and Operational Aspects of Single-Skin Paraglider

P Maślanka, R Korycki - Materials, 2024 - mdpi.com
The operating comfort of a paraglider is created by the aerodynamic parameters as well as
the mass and packing volume of the wing. A classic paraglider has upper and lower covers …