Search Results - "Mansoor, Mubashir"
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NdB6 ceramic nanoparticles: First principles calculations, mechanochemical synthesis and strain engineering
Published in Journal of materials research and technology (01-05-2023)“…Borides are usually hard and brittle materials; however, we report the synthesis of superplastic nanostructured NdB6 ceramic powders, counter to the…”
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Can stress-induced changes in phonon frequencies of ZrSiO4 make it a potential IR spectroscopy-based pressure sensor?
Published 30-01-2022“…Functional materials that can serve as high-pressure transducers are limited, making such sensor material sought after. It has been reported that hydrostatic…”
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Sustainable metal-organic framework co-engineered glass fiber separators for safer and longer cycle life of Li-S batteries
Published in Journal of alloys and compounds (25-04-2023)“…Most of the issues with making Li–S batteries are caused by the growth of Li dendrites and the movement of polysulfide. To solve both of these problems at the…”
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Elucidating the dynamics of hydrogen embrittlement in duplex stainless steel
Published in Corrosion science (01-12-2023)“…We used slow-strain rate testing with in-situ microstructure imaging during electrochemical hydrogen charging to understand hydrogen embrittlement of super…”
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Synergistic Overview and Perspectives of Two-Dimensional Heterostructures for Cathodes and Separators in Flexible Li–S Batteries
Published in Energy & fuels (03-08-2023)“…Because of their high energy densities and specific capacities, lithium–sulfur (Li–S) batteries have recently received an extensive amount of research. The…”
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Understanding passive film degradation and its effect on hydrogen embrittlement of super duplex stainless steel – Synchrotron X-ray and electrochemical measurements combined with CalPhaD and ab-initio computational studies
Published in Applied surface science (15-08-2023)“…[Display omitted] •Electrochemically generated hydrogen produces defects in the passive film.•The surface oxide degrades by defect generation, followed by…”
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Stress-induced changes in phonon frequencies of ZrSiO4: Infrared spectroscopy-based pressure sensor
Published in Solid state communications (01-12-2022)“…Functional materials that can serve as high-pressure transducers are limited, making such sensor material sought after. It has been reported that hydrostatic…”
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Computational alloy design, synthesis, and characterization of WMoNbVCrx refractory high entropy alloy prepared by vacuum arc melting
Published in Journal of alloys and compounds (25-10-2024)“…Prior investigations have demonstrated enhanced mechanical properties, such as hardness and wear resistance, through high-entropy alloy designs that contain…”
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Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond
Published 22-11-2021“…Point defects are responsible for a wide range of optoelectronic properties in materials, making it crucial to engineer their concentrations for novel…”
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Challenging the frontiers of superparamagnetism through strain engineering: DFT investigation and co-precipitation synthesis of large aggregated Fe3O4 (magnetite) powder
Published in Journal of alloys and compounds (15-12-2023)“…Superparamagnetic magnetite (Fe3O4) has potential biomedical applications, but its synthesis can be challenging and costly. We present a simple and facile…”
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Integration of PDAAQ and Non-stoichiometric MgO as Host Cathode Materials for Lithium-Sulfur Batteries with Superior Cycle Stability: Density Functional Theory Calculations and Experimental Validations
Published in Energy & fuels (15-12-2022)“…A lithium-sulfur battery with a low cost, a long cycle life, safety, and high gravimetric energy density may be a viable option for overcoming the…”
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First principles calculations and synthesis of multi-phase (HfTiWZr)B2 high entropy diboride ceramics: Microstructural, mechanical and thermal characterization
Published in Journal of the European Ceramic Society (01-03-2023)“…First principles calculations were conducted on (HfTiWZr)B2 high entropy diboride (HEB) composition, which indicated a low formation energy and promising…”
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The causation of hydrogen embrittlement of duplex stainless steel: Phase instability of the austenite phase and ductile-to-brittle transition of the ferrite phase – Synergy between experiments and modelling
Published in Corrosion science (01-06-2023)“…Various mechanisms have been proposed for hydrogen embrittlement of duplex stainless steel, but the causation of hydrogen-induced material degradation has…”
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Atomistic Origins of Various Luminescent Centers and n‑Type Conductivity in GaN: Exploring the Point Defects Induced by Cr, Mn, and O through an Ab Initio Thermodynamic Approach
Published in Chemistry of materials (09-07-2024)“…GaN is a technologically indispensable material for various optoelectronic properties, mainly due to the dopant-induced or native atomic-scale point defects…”
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B4C Composites with a TiB2‑C Core–Shell Microstructure Produced by Self-Propagating High-Temperature Synthesis-Assisted Spark Plasma Sintering
Published in Journal of physical chemistry. C (01-12-2022)“…Square-shaped boron carbide ceramic composites have been produced by spark plasma sintering with the addition of 5 to 20 vol % titanium metal powder in the B4C…”
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Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond
Published in Diamond and related materials (01-06-2022)“…Point defects in diamond are responsible for a wide range of optoelectronic properties, making it crucial to engineer defect concentrations for novel…”
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PyNanospacing: TEM image processing tool for strain analysis and visualization
Published 27-11-2023“…The diverse spectrum of material characteristics including band gap, mechanical moduli, color, phonon and electronic density of states, along with catalytic…”
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Exploring Hydride Formation in Stainless Steel Revisits Theory of Hydrogen Embrittlement
Published 20-09-2022“…Various mechanisms have been proposed for hydrogen embrittlement, but the causation of hydrogen-induced material degradation has remained unclear. This work…”
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