Results 211 to 220 of about 264,106 (287)

In Situ Measurement of Oxygen Vacancy Dynamics and Surface Exchange Reactions in Oxide Electrode under Solid Electrochemical Cell Operating Conditions

Advanced Energy Materials, EarlyView.
This study establishes an in situ electrochemical framework using dense bulk electrodes to identify defect chemistry and surface kinetics. While oxygen vacancy concentration is derived via bias modulation, surface exchange coefficients are quantified at open circuit voltage conditions to isolate kinetics.
Taeyun Kim, Jinsil Lee, Hee Jung Park, Ji Haeng Yu, José M. Serra, Jong Hoon Joo   +5 more
wiley   +1 more source

Dynamic Evolution Pattern of Water Distribution, Storage Stability, and Reheating Properties in Fresh Wet Tuber-Based Vermicelli: From the Perspective of Moisture Regulation Strategies. [PDF]

Foods
Guo C, Niu X, Zhu J, Liu B, Liu S, Cao X, Wang L.   +6 more
europepmc   +1 more source

Enthalpy

openaire   +1 more source

Sequential Monte Carlo with likelihood tempering and parallel implementation for uncertainty quantification

AIChE Journal, EarlyView.
Abstract Bayesian estimation enables uncertainty quantification, but analytical implementation is often intractable. As an approximate approach, the Markov Chain Monte Carlo (MCMC) method is widely used, though it entails a high computational cost due to frequent evaluations of the likelihood function.
Tatsuki Maruchi, Tomoyuki Yajima, Yoshiaki Kawajiri   +2 more
wiley   +1 more source

Microstructure & physicochemical properties dataset of NaCl-based salt mixtures for concentrating solar power. [PDF]

Sci Data
Feng Y, Wu Y, Wang W.
europepmc   +1 more source

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

Molecular and Thermodynamic Insights into the Enthalpy-Entropy Shift Governing HILIC Retention of Labelled Dextrans. [PDF]

Molecules
Grčman M, Podlipnik Č, Pompe M, Kočar D.   +3 more
europepmc   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

First-Principles Study of the Stability, Electronic Structure, and Mechanical Properties of Ce-Doped MgZn₂. [PDF]

Materials (Basel)
Guo J, Zhao H, Hui Z, Zhang L, Liu H.
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source