Numerically Exact Solution for a Real Polaritonic System under Vibrational Strong Coupling in Thermodynamic Equilibrium: Loss of Light-Matter Entanglement and Enhanced Fluctuations. [PDF]
J Chem Theory Comput, 2023 Sidler D, Ruggenthaler M, Rubio A.
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Advanced Functional Materials, EarlyView.Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
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Disquisitions Relating to Principles of Thermodynamic Equilibrium in Climate Modelling. [PDF]
Entropy (Basel), 2022 Woodcock LV.
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Advanced Functional Materials, EarlyView.Dicarboxylate‐modified anionic hairy cellulose nanocrystals exhibit a high selectivity for dysprosium(III) over neodymium(III). This selectivity arises from disordered dicarboxylate cellulose “hairs” that enable cooperative ionic coordination, hydrogen bonding, and strain‐induced conformational shrinkage.
Roya Koshani +6 more
wiley +1 more source
Estimating thermodynamic equilibrium solubility and solute-solvent interactions of niclosamide in eight mono-solvents at different temperatures. [PDF]
J Mol Liq, 2022 Bhanushali JS, Bharate SS.
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Advanced Functional Materials, EarlyView.A Cu‐based crystal‐glass composite with high‐density twins is identified by a fast screening technique using combinatorial sputtering together with XRD and nanoindentation mapping. This bamboo‐like structure demonstrates homogenous plastic flow and retains high strength during in situ high temperature tests, up to 1 GPa at 550°C, owing to those ...
Chunhua Tian +10 more
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Effect of Atmospheres on Transformation of Heavy Metals during Thermal Treatment of MSWI Fly Ash: By Thermodynamic Equilibrium Calculation. [PDF]
Molecules, 2021 Jiao F, Ma X, Liu T, Wu C, Li H, Dong Z.
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Bio‐Inspired Molecular Events in Poly(Ionic Liquids)
Advanced Functional Materials, EarlyView.Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
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Investigation on Thermodynamic Equilibrium Conditions of Methane Hydrates in Multiphase Gas-Dominant Pipelines. [PDF]
ACS Omega, 2021 Sayani JKS +3 more
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Advanced Functional Materials, EarlyView.Degradable Polyphosphoester (PPE) gradient copolymers (GCPs) are synthesized via one‐pot copolymerization. We show that GCPs self‐assemble into nanostructures like polymersomes, effectively mimicking the behavior of traditional BCPs. The gradient strength is key, with softer gradients favoring micelles.
Suna Azhdari +7 more
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