Results 61 to 70 of about 164,402 (291)
, 2019 Supercooled liquids give rise, by homogeneous nucleation, to solid superclusters acting as building blocks of glass, ultrastable glass, and glacial glass phases before being crystallized.
Tournier, Robert F.
core +3 more sources
Simulation of Cu-Mg metallic glass: Thermodynamics and Structure [PDF]
, 2003 We have obtained effective medium theory (EMT) interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions.
Bailey, Nicholas P. +2 more
core +2 more sources
Advanced Engineering Materials, EarlyView.Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar +7 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing +9 more
wiley +1 more source
Engineering Proceedings, 2023 We established a group contribution (GC) parametrization for the heat of formation of organic molecules, but, and this is new, revealed chemical accuracy (1 kcal/mol). Compared to previous approaches which did not achieve this result, we succeeded by (i)
Robert J. Meier
doaj +1 more source
Advanced Functional Materials, EarlyView.Zinc(II) coordination complexes with tunable aryloxy‐imine ligands exhibit controllable supramolecular self‐assembly into hierarchical fibrous structures. Coordination‐driven stacking, not π–π interactions, enables gelation, dynamic assembly/disassembly, and enhanced nanomechanical properties.
Merlin R. Stühler +10 more
wiley +1 more source
Enthalpies of Formation of Transition Metal Diborides: A First Principles Study
Crystals, 2015 The enthalpies of formation of transition metals diborides in various structures have been obtained from density functional theory (DFT) calculations in order to determine the ground state at T = 0 K and p = 0.
Catherine Colinet, Jean-Claude Tedenac
doaj +1 more source
Advanced Functional Materials, EarlyView.The dielectric properties of clays are studied on the level of individual monolayers and functional double stacks. The material breakdown characteristics and charge storage performance are analyzed. For illustration, a defined charge pattern representing a cuneiform character is produced, written into a microscopic clay tile, referencing the origins of
Sebastian Gödrich +6 more
wiley +1 more source
Tin-selenium compounds at ambient and high pressures
, 2017 SnxSey crystalline compounds consisting of Sn and Se atoms of varying composition are systematically investigated at pressures from 0 to 100 GPa using the first-principles evolutionary crystal structure search method based on density functional theory ...
Gonzalez, Joseph M. +3 more
core +2 more sources
Chemoselective Sequential Polymerization: An Approach Toward Mixed Plastic Waste Recycling
Advanced Functional Materials, EarlyView.Inspired by biological protein metabolism, this study demonstrates the closed‐loop recycling of mixed synthetic polymers via ring‐closing depolymerization followed by a chemoselective sequential polymerizations process. The approach recovers pure polymers from mixed feedstocks, even in multilayer formats, highlighting a promising strategy to overcome a
Gadi Slor +5 more
wiley +1 more source