Understanding the Configurational Entropy Evolution in Metal‐Phosphorus Solid Solution for Highly Reversible Li‐Ion Batteries
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Science"
DOI: 10.1002/advs.202300271
Abstract: The high‐entropy materials (HEM) have attracted increasing attention in catalysis and energy storage due to their large configurational entropy and multiunique properties. However, it is failed in alloying‐type anode due to their Li‐inactive transition‐metal compositions.… read more here.
Keywords: solid solution; entropy; configurational entropy; metal phosphorus ... See more keywords
Entropy-stabilized oxides with medium configurational entropy
Sign Up to like & getrecommendations! Published in 2020 at "Ceramics International"
DOI: 10.1016/j.ceramint.2020.12.143
Abstract: Abstract Medium-entropy oxides, ((Mg1/3Co1/3Ni1/3)1-xZnx)O with x between 0.292 to 0.388, were synthesized by sintering the corresponding powder mixtures and proven to be entropy stabilized. The enthalpy of mixing of these oxides was estimated from their… read more here.
Keywords: entropy; oxides medium; entropy stabilized; stabilized oxides ... See more keywords
Thermodynamic universality of configurational entropy in glass-forming liquids
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.09.124
Abstract: Abstract Glass is a liquid-like disordered material but behaves mechanically like a solid. Ubiquitous in nature and important in technology, the vitreous state manifests its presence from window glass, polymers, to optical fiber, and almost… read more here.
Keywords: glass forming; thermodynamic universality; universality configurational; glass ... See more keywords
Multibasin Quasi-Harmonic Approach for the Calculation of the Configurational Entropy of Small Molecules in Solution.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00978
Abstract: Entropy is a key thermodynamic property governing most biomolecular processes, including binding. Nonetheless, quantification of the configurational entropy of a single molecule in solution remains a grand challenge. Here, we present an original approach for… read more here.
Keywords: quasi harmonic; entropy; small molecules; solution ... See more keywords
Prediction of Protein Configurational Entropy (Popcoen).
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b01079
Abstract: A knowledge-based method for configurational entropy prediction of proteins is presented; this methodology is extremely fast, compared to previous approaches, because it does not involve any type of configurational sampling. Instead, the configurational entropy of… read more here.
Keywords: entropy; prediction protein; protein configurational; popcoen prediction ... See more keywords
Configurational Entropy-Enabled Thermostability of Cell Membranes in Extremophiles: From Molecular Mechanism to Bioinspired Design.
Sign Up to like & getrecommendations! Published in 2023 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c04939
Abstract: Understanding physicochemical interactions and mechanisms related to the cell membranes of lives under extreme conditions is of essential importance but remains scarcely explored. Here, using a combination of computer simulations and experiments, we demonstrate that… read more here.
Keywords: cell membranes; configurational entropy; molecular mechanism;
Entropy Engineering and Tunable Magnetic Order in the Spinel High-Entropy Oxide.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c06768
Abstract: Spinel oxides are an ideal setting to explore the interplay between configurational entropy, site selectivity, and magnetism in high-entropy oxides (HEOs). In this work, we characterize the magnetic properties of the spinel (Cr, Mn, Fe,… read more here.
Keywords: entropy engineering; order; entropy; configurational entropy ... See more keywords
Configurational entropy from a replica approach: A density-functional model.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.105.024110
Abstract: We study a field-theoretic model for the metastable liquid using a nonlocal free-energy functional with density ρ(x) is the order parameter and three-point correlation effects included in the formulation. We assume fragmentation of the free-energy… read more here.
Keywords: density; model; configurational entropy; replica approach ... See more keywords
Configurational entropy of colloidal particles in a confined space.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.106.034609
Abstract: We calculate the configurational entropy of colloidal particles in a confined geometry interacting as hard disks using Monte Carlo integration. In particular, we consider systems with three kinds of boundary conditions: hard, periodic, and spherical.… read more here.
Keywords: colloidal particles; entropy colloidal; boundary conditions; particles confined ... See more keywords
High‐strength medium‐entropy (Ti,Zr,Hf)C ceramics up to 1800°C
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Ceramic Society"
DOI: 10.1111/jace.17677
Abstract: Currently, high-entropy ceramics have become a research hotspot in the field of ceramics because of their unique compositions, microstructures, and notable properties.1-4 Similar to high-entropy alloys, they dissolve five or more elements together with a… read more here.
Keywords: entropy ceramics; entropy; medium entropy; high entropy ... See more keywords
Statistical Properties and Configurational Entropy of a Two-Dimensional Néel Magnetic Skyrmions Population
Sign Up to like & getrecommendations! Published in 2020 at "Applied Sciences"
DOI: 10.3390/app10010352
Abstract: The study of the thermodynamic properties of topological defects is important not only for understanding their magnetic properties but also for suggesting novel applications. In this paper, the statistical and statistical thermodynamic properties of a… read more here.
Keywords: magnetic skyrmions; two dimensional; dimensional magnetic; statistical properties ... See more keywords