Results 211 to 220 of about 932,309 (298)

Framework Flexibility on Water Sorption and Transport in ZIF‐90: Insights from Neural‐Network Molecular Dynamics

open access: yesAdvanced Materials Interfaces, EarlyView.
A DeepMD‐based molecular dynamics framework is developed to investigate water adsorption in ZIF‐90, explicitly accounting for framework flexibility. Results show that atomistic flexibility significantly influences adsorption energetics, diffusion, and structural correlations, yielding nearly constant heat of adsorption and enhanced mobility.
Nick Mackus   +3 more
wiley   +1 more source

Advanced MXene‐Based Multifunctional Nanoarchitecture Materials Engineered for Adsorptive Cleanup of Hazardous Radioactive Pollutants: A Comprehensive Critical Review

open access: yesAdvanced Materials Interfaces, EarlyView.
This work critically reviews MXenes as highly effective multifunctional nanomaterials for the adsorption of radio‐contaminants, demonstrating a remarkable adsorption capacity of up to 1376.75 mg/g and cyclic stability of 2–8 cycles, with complexation, electrostatic interactions, and the numerical strength of MXene active sites playing a key operational
Stephen Sunday Emmanuel   +1 more
wiley   +1 more source

Surface Segregation in Compositionally Complex Ag‐Au‐Pd‐Pt Solid Solutions: Insights From High‐Throughput Experimentation and Atomistic Simulations

open access: yesAdvanced Materials Interfaces, EarlyView.
Surface segregation in quaternary Ag‐Au‐Pd‐Pt compositionally complex solid solutions is systematically mapped across 684 compositions by combining high‐throughput EDX and XPS characterization of co‐sputtered thin‐film libraries with large‐scale MD/MC atomistic simulations.
Ridha Zerdoumi   +10 more
wiley   +1 more source

Stochastic thermodynamics of social imitation beyond energetics. [PDF]

open access: yesNat Commun
Irisarri L   +3 more
europepmc   +1 more source

Thermoplastic Dielectric Coatings for Flexible Electrodynamic Dust Shields: Structural and Functional Performance

open access: yesAdvanced Materials Interfaces, EarlyView.
Thermoplastic attachment is introduced as a scalable surface coating strategy to improve the durability and dielectric reliability of flexible electrodynamic dust shields. By embedding chemically modified reduced graphene oxide (CMrGO) electrodes within thermoplastic laminates, mechanical degradation, abrasion damage, and vacuum‐induced electrical ...
Ide E. Onal   +6 more
wiley   +1 more source

Non-equilibrium thermodynamics of heterogeneous systems

open access: yes, 2008
Kjelstrup, Signe, Bedeaux, Dick 1941-
core  

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