Results 91 to 100 of about 2,515,424 (247)

Accurate machine learning force fields via experimental and simulation data fusion

npj Computational Materials
Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy.
Sebastien Röcken, Julija Zavadlav
doaj   +1 more source

Integrating Multiscale Modeling with Drug Effects for Cancer Treatment

Cancer Informatics, 2015
In this paper, we review multiscale modeling for cancer treatment with the incorporation of drug effects from an applied system's pharmacology perspective.
Xiangfang L. Li, Wasiu O. Oduola, Lijun Qian, Edward R. Dougherty   +3 more
doaj   +1 more source

Ionic Precursors Transformed Into Vinyl Acetate Synthesis Catalyst via Reaction‐Driven Restructuring

Advanced Functional Materials, EarlyView.
This work demonstrates that a simple physical mixture of Pd and Au ionic precursors, KOAc promoter, and SiO2 support can transform into a highly active vinyl acetate synthesis catalyst through reaction‐driven restructuring. The results highlight reaction‐induced restructuring as an innovative and sustainable catalyst design strategy.
Byeong Jun Cha, Welman C. Elias, Hunter P. Jacobs, Kimberly N. Heck, Saghar Rezaie, Sadegh Yazdi, Kiheon Hong, Justin J. Dodson, Laiyuan Chen, Sean G. Mueller, Steven R. Alexander, Michael S. Wong   +11 more
wiley   +1 more source

Strong Lead‐Free Bioinspired Piezoceramics for Durable Energy Transducers

Advanced Functional Materials, EarlyView.
We fabricated brick‐and‐mortar lead‐free piezoceramics with Bi0.5Na0.5TiO3 monocrystal platelets as bricks and amorphous silica as mortar. The alignment of the bricks and the presence of the amorphous silica led to anisotropic residual stresses. These residual stresses increase the samples toughness, strength and durability while the brick alignment ...
Ruxue Yang, Temesgen Tadeyos Zate, Peiren Wang, Soumyajit Mojumder, Elo Overgaard Mogensen, Oriol Gavalda‐Diaz, Zihe Li, Shitong Zhou, Ajeet Kumar, James Roscow, Hamideh Khanbareh, Astri Bjørnetun Haugen, Florian Bouville   +12 more
wiley   +1 more source

Finite element heterogeneous multiscale methods with near optimal computational complexity

, 2007
This paper is concerned with a numerical method for multiscale elliptic problems. Using the framework of the heterogeneous multiscale methods (HMM), we propose a micro-macro approach which combines the finite element method (FEM) for the macroscopic ...
Engquist, Björn,, Abdulle, A.
core   +1 more source

Functionalizing Micro‐to‐Mesoscopic Electrode Architectures for Regulating Electron Transfer Behaviors in Electrocatalysis

Advanced Functional Materials, EarlyView.
A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao, Jiaojiao Zhang, Shideng Yuan, Xinmeng Yu, Keming Wan, Xiaoguang Duan, Zhining Wang   +6 more
wiley   +1 more source

Coordinated Architectural and Chemical Reinforcement in the Crushing Mandible of a Soldier Termite

Advanced Functional Materials, EarlyView.
The crushing mandible of a soldier termite withstands substantial biting loads despite lacking mineral. Its cuticle is partitioned: convex teeth pair hardness and zinc enrichment with aligned chitin fibers for contact durability, while stiffer concave regions between teeth carry bending loads.
Andrew Tran Nguyen, Patryk Wąsik, Juan Fernando Cucuyame Morales, Marie Kate Palau, Adrian Francisco Duran Ornelas, Phani Saketh Dasika, Jin Hee Kim, Radhika Laxminarayana, Eric Hintsala, Greta Chang, Junzhi Liao, Lizhi Sun, Nathan Lord, Atsushi Arakaki, Paul Bardunias, Pablo Zavattieri, David Kisailus   +16 more
wiley   +1 more source

A review on the multiscale strategies of dissipative materials under fully coupled thermomechanical conditions

In this short review, the multiscale modeling of dissipative composites undergoing fully coupled thermomechanical processes is outlined through the models presented in a collection of recent works. The aim is to demonstrate the challenges and limitations
CHATZIGEORGIOU, George, CHARALAMBAKIS, Nicolas, MERAGHNI, Fodil   +2 more
core   +1 more source

Online Adaptive Algorithm for Constraint Energy Minimizing Generalized Multiscale Discontinuous Galerkin Method

, 2023
In this research, we propose an online basis enrichment strategy within the framework of a recently developed constraint energy minimizing generalized multiscale discontinuous Galerkin method. Combining the technique of oversampling, one makes use of the
Siu Wun Cheung, Sai-Mang Pun, Pun, Sai Mang, Cheung, Siu Wun   +3 more
core   +1 more source

Gradient‐Conductivity Architecture Enables Synchronous Enhancement of Sensitivity and Detection Range in Multifunctional All‐Paper Sensors

Advanced Functional Materials, EarlyView.
A gradient‐engineered all‐paper sensor is fabricated by integrating MXene and in situ grown AgNPs within hierarchical cellulose networks. The device breaks the sensitivity–detection range trade‐off through cascaded conductive pathways, enabling ultrahigh pressure sensitivity, humidity–pressure decoupled dual‐mode sensing, and outstanding EMI shielding,
Ao Li, Jun Xu, Dezhong Xu, Zhaohui Zhang, Jiyi Li, Daxian Cao, Kefu Chen, Mizi Fan   +7 more
wiley   +1 more source