Results 121 to 130 of about 13,303,652 (245)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

Advanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne, Delphine Dessaux, Samuel Buchet, Lucie Barthe, Liza Ammar‐Khodja, Bessam Azizi, Valentin Durante, Gianluca Cioci, Simon de Givry, Alain Roussel, Luis F. Garcia‐Alles, Thomas Schiex, Sophie Barbe   +12 more
wiley   +1 more source

The New Method of Structural Reliability Analysis by Monte-Carlo Stochastic Finite Element

工程科学与技术, 2008
:Based on the conditional expectation variance reduction, antithetic variable sampling and Neumann expansion technique,and in order to solve the problem of uncertainty of strength model partly,considering the different characteristics of uniaxial ...
doaj  

Wake‐Up and Fatigue under Electrical Cycling in HfO2‐Based Ferroelectrics: Mechanisms and Strategies toward Reliable Devices

Advanced Science, EarlyView.
HfO2‐based ferroelectrics exhibit wake‐up and fatigue behaviors during electrical cycling, significantly affecting device endurance and reliability. These phenomena are governed by defect dynamics, including oxygen vacancy redistribution and charge trapping.
Hongseok Kim, Shinhyeong Lee, Hyojun Choi, Minseung Park, Hyunah Cho, Min Hyuk Park, Yunseok Kim   +6 more
wiley   +1 more source

Agent‐Based Simulations of Lung Tumor Evolution Suggest That Ongoing Cell Competition Drives Realistic Clonal Expansions

Advanced Science, EarlyView.
Computational simulations of tumor evolution are increasingly used to infer the rules underlying cancer growth, with the goal of one day recommending tailored treatments. Here we show that the properties of lung cancer sequencing data are best replicated by a model which assumes that cells compete both to proliferate and survive. ABSTRACT Computational
Helena Coggan, James R. M. Black, Carlos Martínez‐Ruiz, Kristiana Grigoriadis, Jasmin Fisher, Nicholas McGranahan   +5 more
wiley   +1 more source

Red Blood Cells as Endogenous Biotweezers for Optical Micromanipulation In Vivo

Advanced Science, EarlyView.
By synergistically integrating the long‐distance manipulation fiber probe (LDMFP) and endogenous red blood cells (RBCs) as biocompatible optical elements, a natural RBC biotweezer was developed for the desired microparticle manipulation and immune cell activation within living vasculature, which might offer an alternative tool for intravital optical ...
Tong Yang, Xinyu Ren, Dalin Ma, Hao Pang, Wei Chen, Kaize Cai, Mei Yuan, Bingzhi Zhang, Zufang Lin, Xiaoshuai Liu   +9 more
wiley   +1 more source

Using the scaled boundary finite element method to model 2D time-dependent geotechnical engineering problems [PDF]

, 2005
The scaled boundary finite element method caters well for soil-structure interaction problems, but the formulation does not cater for the presence of changing pore pressures with time, body loads and tractions. A detailed formulation is presented in this
Hassanen, M., El-Hamalawi, A.
core  

Physics‐Aware Machine‐Learning‐Driven Inverse Design of Broadband Ultra‐Open Acoustic Metamaterials

Advanced Science, EarlyView.
A physics‐aware machine‐learning framework enables inverse design of ultra‐open acoustic silencers by decoupling spectral and radial design spaces. The approach rapidly identifies broadband, compact, and highly ventilated architectures, while revealing hidden linear design rules that link geometry, impedance matching, and acoustic performance.
Zhiwei Yang, Mengyu Li, Xiaohang Xie, Ao Chen, Thomas G. Bifano, Xin Zhang   +5 more
wiley   +1 more source

Methods for Characterization and Continuum Modeling of Inhomogeneous Properties of Paper and Paperboard Materials: A Review

BioResources
The potential of paper and paperboard as fiber-based materials capable of replacing conventional polymer-based materials has been widely investigated and evaluated.
Cedric Wilfried Sanjon, Yuchen Leng, Marek Hauptmann, Peter Groche, Jens-Peter Majschak   +4 more
doaj   +2 more sources