Quenching Route Decides Whether Iron-Cobalt Alloy Bends or Breaks During Hot Rolling
A new Journal of Materials Science study shows that the quenching route chosen before hot rolling determines the lattice distortion, ...
Tag: density functional theory
Machine learning uncovers temperature-stable oxide for tiny capacitors
A machine learning-guided search has produced a tungsten bronze oxide ceramic that combines a high dielectric constant, ultralow loss and ...
Chemists Capture First Crystalline Uranium Carbyne With a Triple Bond to Carbon
Chemists have synthesized and fully characterized the first crystalline molecular uranium Fischer-type carbyne, revealing a sigma-two-pi-one-pi-one uranium-carbon triple bond assembled ...
Natural Alkaloids Show Promise as Disruptors of Bacterial Quorum Sensing
A computational study finds that the natural alkaloids lanoginosine and liriodenine bind strongly and stably to the AgrA LytTR domain ...
Cage-Like Crystal Could Do It All: New Simulation Points to a Four-in-One Energy Material
First-principles simulations indicate that the filled skutterudite PrPt₄Ge₁₂ is a stable, metallic, weakly magnetic crystal with promising thermoelectric, optical and ...
Grafted Molecule Tames Electric Fields in Next-Generation Power Cable Plastic
Researchers grafted 4-allyloxybenzil onto impact polypropylene copolymer, cutting space charge accumulation by 85 percent and boosting DC breakdown strength by ...
Zinc Vanadate Emerges as a Durable High-Capacity Anode for Lithium-Ion Batteries
Researchers in China have synthesized orthorhombic Zn3V2O8 by a flux-assisted solid-state method and shown it delivers high initial lithium storage ...
Silicon-swapped selenide sheets emerge as fast-charging battery anodes in simulations
A new density functional theory study identifies silicon-substituted titanium, zirconium, and hafnium selenide monolayers as stable, metallic, fast-diffusing anode candidates ...
Machine Learning Cracks the Vast Code of High-Entropy Catalysts
A new review in the Journal of Materials Science maps how machine learning, from graph neural networks to large language ...
UV Light and Hydrogen Peroxide Wipe Out Nearly All Azo Dye Pollution in New Study
A new study shows that a UV/hydrogen peroxide advanced oxidation process can remove up to 99.8 percent of two azo ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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