Results 161 to 170 of about 709,002 (300)

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

open access: yesAdvanced Engineering Materials, EarlyView.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán   +5 more
wiley   +1 more source

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

Ideal Molecular Sieving with a Dense MOF for Helium Upgrading with Highly Diffusion Selective Mixed Matrix Membranes

open access: yesAdvanced Functional Materials, EarlyView.
The separation of Helium gas from natural gas is challenging but highly important. MIL‐116(Ga), a “non‐porous” metal–organic framework is used as a molecular sieve to separate He from CH4. Druse‐like MIL‐116(Ga) particles are integrated into polysulfone mixed matrix membranes.
Ayisha Komal   +10 more
wiley   +1 more source

Through Diamond Robust Surface Enhanced Raman Spectroscopy

open access: yesAdvanced Functional Materials, EarlyView.
Thin film diamond growth offers a unique opportunity for Surface Enhanced Raman Spectroscopy (SERS); the encapsulation of plasmonic nanostructures within a transparent, chemically stable, and physically robust coating. The diamond acts as both a window and protective layer, enabling illumination of the plasmonic nanostructures through the diamond ...
Kieran N. Twaddle   +4 more
wiley   +1 more source

Regulated Ion‐Diffusion Hydrogels for Subtle and Multimodal Temperature‐Strain Sensing in Wound Monitoring

open access: yesAdvanced Functional Materials, EarlyView.
A soft, dual‐channel hydrogel patch enables simultaneous detection of wound temperature and strain by integrating ion‐diffusion‐mediated thermoelectric and resistive sensing. The conformal design maintains stable performance during motion, capturing subtle inflammatory and mechanical changes for continuous wound monitoring.
Yu Fang   +7 more
wiley   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

open access: yesAdvanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source

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