Results 21 to 30 of about 42,404 (263)

Thermodynamic consequences of well-known regular black holes under modified first law

open access: yesEuropean Physical Journal C: Particles and Fields, 2018
We modify the first law of thermodynamics of regular black hole of the non-minimal Einstein–Yang–Mill theory with gauge field of magnetic Wu–Yang type and a regular black hole which is associated with the cosmological constant by the surface tensions ...
Abdul Jawad, Amna Khawer
doaj   +1 more source

A Workflow to Accelerate Microstructure‐Sensitive Fatigue Life Predictions

open access: yesAdvanced Engineering Materials, EarlyView.
This study introduces a workflow to accelerate predictions of microstructure‐sensitive fatigue life. Results from frameworks with varying levels of simplification are benchmarked against published reference results. The analysis reveals a trade‐off between accuracy and model complexity, offering researchers a practical guide for selecting the optimal ...
Luca Loiodice   +2 more
wiley   +1 more source

Thermodynamic, structural, surface and transport properties of Au-Ni liquid alloy at 1150 K

open access: yesBibechana, 2021
Thermodynamic, structural, surface, and transport properties of Au-Ni liquid alloy at 1150 K were computed using different theoretical approaches. The thermodynamic properties, such as excess Gibbs free energy of mixing, enthalpy of mixing, activity and
S K Yadav, N Chaudhary, D Adhikari
doaj   +3 more sources

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

open access: yesAdvanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund   +6 more
wiley   +1 more source

Advancements in thermochemical predictions: a multi-output thermodynamics-informed neural network approach

open access: yesJournal of Cheminformatics
The Gibbs free energy of an inorganic material represents its maximum reversible work potential under constant temperature and pressure. Its calculation is crucial for understanding material stability, phase transitions, and chemical reactions, thus ...
Raheel Hammad, Sownyak Mondal
doaj   +1 more source

Gibbs Free Energy and Enthalpy–Entropy Compensation in Protein Folding

open access: yesBiophysica
The thermodynamic study of protein folding shows the generation of a narrow range of ΔG° values, as a net result of large changes in the ΔH° and TΔS° values of the folding process.
María J. Benítez, Juan S. Jiménez
doaj   +1 more source

Thermodynamic Excess Properties and Intermolecular Interaction Using Fourier Transform Infrared for the Dodecylbenzenesulfonic Acid-Acetone Binary Liquid Mixture

open access: yesARO-The Scientific Journal of Koya University, 2017
Density, viscosity, and  surface tension for the DBSA-Acetone system at the temperatures (293.15, 298.15, 301.15 K) have been investigated experimentally.
Ali A. Jazie
doaj   +1 more source

In Situ Constructed Magnetic Core‐Shell Hydrogen‐Bonded Organic Framework‐on‐Metal–Organic Framework Structure: an Efficient Catalyst for Peroxymonosulfate Activation

open access: yesAdvanced Functional Materials, EarlyView.
In this work, a magnetic core‐shell catalyst (HOF‐on‐Fe3O4/ZIF‐67) is successfully synthesized, consisting of a metal–organic framework (ZIF‐67) with magnetic Fe3O4 as the core and a porous hydrogen‐bonded organic framework (HOF) as the shell. The catalyst efficiently activated peroxymonosulfate, resulting in rapid and effective removal of water ...
Yingying Du   +4 more
wiley   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

open access: yesAdvanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong   +3 more
wiley   +1 more source

Non Thermal‐Driven Photocatalytic Ammonia Decomposition at Near‐Room Temperature on a Plasmonic Nanocone Array

open access: yesAdvanced Functional Materials, EarlyView.
Plasmonic photocatalytic ammonia decomposition occurs at near‐room temperature on a plasmonic Au nanocone array under visible light illumination. The nanostructure efficiently harnesses plasmonic modes, leading to increased reaction rates upon plasmon decay.
Thanh‐Lam Bui   +17 more
wiley   +1 more source

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