Results 81 to 90 of about 953,953 (275)

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Decoding the Stability of Transition-Metal Alloys with Theory-infused Deep Learning

We introduce an interpretable deep learning framework that predicts the cohesive energy of transition-metal alloys (TMAs) by embedding cohesion theory within graph neural networks (GNNs). Beyond accurate prediction of cohesive energy, a key indicator of thermodynamic stability, the model offers mechanistic insights by disentangling energy contributions
Huang, Yang, Wang, Shih-Han, Cao, Shuyi, Achenie, Luke E. K., Xin, Hongliang   +4 more
openaire   +2 more sources

Active delta-learning for fast construction of interatomic potentials and stable molecular dynamics simulations

Machine Learning: Science and Technology
Active learning (AL) requires massive time for comprehensive sampling of complex potential energy surfaces to achieve desirable accuracy and stability of machine learning (ML) potentials.
Yaohuang Huang, Yi-Fan Hou, Pavlo O Dral
doaj   +1 more source

Optimal Control Based on Reinforcement Learning for Flexible High-Rise Buildings with Time-Varying Actuator Failures and Asymmetric State Constraints

Buildings
This study centers on the vibration suppression of high-rise building systems under extreme conditions, exploring a reinforcement learning (RL)-based vibration control strategy for flexible building systems with time-varying faults and asymmetric state ...
Min Li, Rui Xie
doaj   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

, 2018
The diffusion of large databases collecting different kind of material properties from high-throughput density functional theory calculations has opened new paths in the study of materials science thanks to data mining and machine learning techniques ...
Gonze, Xavier, Hautier, Geoffroy, Petretto, Guido, Rignanese, Gian-Marco   +3 more
core   +1 more source

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

Advanced 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, Hoang‐Thien Luu, Sarath Menon, Tilmann Hickel, Nina Merkert, Stefan Sandfeld   +5 more
wiley   +1 more source

Data expansion with Huffman codes [PDF]

, 1995
The following topics were dealt with: Shannon theory; universal lossless source coding; CDMA; turbo codes; broadband networks and protocols; signal processing and coding; coded modulation; information theory and applications; universal lossy source ...
Cheng, Jung-Fu, Dolinar, Sam, Effros, Michelle, McEliece, Robert   +3 more
core  

An Experimental High‐Throughput Approach for the Screening of Hard Magnet Materials

Advanced Engineering Materials, EarlyView.
An entire workflow for the high‐throughput characterization and analysis of compositionally graded magnetic films is presented. Characterization protocols, data management tools and data analysis approaches are illustrated with test case Sm(Fe, V)12 based films.
William Rigaut, Pierre Le Berre, Hamdi Jaballah, Lukas Fink, Victor Poline, Richard Haettel, Stéphane Grenier, Gilbert Chahine, Ewen Bellec, Guillaume Buatier, Wilfried Hortschitz, Santa Pile, Thomas Schrefl, Nils Blanc, Yuan Hong, Thibaut Devillers, Nora M. Dempsey   +16 more
wiley   +1 more source