Results 231 to 240 of about 9,903 (310)

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

open access: yesAdvanced Engineering Materials, EarlyView.
A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer   +3 more
wiley   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

open access: yesAdvanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba   +5 more
wiley   +1 more source

A Knowledge‐Based Approach for Understanding and Managing Additive Manufacturing Data

open access: yesAdvanced Engineering Materials, EarlyView.
Additive manufacturing processes generate a large amount of data. Effectively managing, understanding, and retrieving information from this data remains a major challenge. Therefore, we propose an ontology‐based approach to integrate heterogeneous data, enable semantic queries, and support decision‐making.
Mina Abd Nikooie Pour   +5 more
wiley   +1 more source

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

open access: yesAdvanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann   +8 more
wiley   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

open access: yesAdvanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

Copper Nanocrystallization in Anodic Oxide Films of Ti–Cu‐Based Bulk Metallic Glass and Its Effect on the Corrosion Resistance and Cytocompatibility

open access: yesAdvanced Engineering Materials, EarlyView.
Viktoriia Shtefan, Thorgund Nemec, Ute Hempel, Annett Gebert and coworkers demonstrate that anodic treatment of Ti–Cu‐based metallic glass in a nontoxic pyrophosphate electrolyte forms a protective bilayered Ti/Zr‐oxide film enriched with Cu nanocrystals.
Viktoriia Shtefan   +8 more
wiley   +1 more source

Unleashing the Power of Machine Learning in Nanomedicine Formulation Development

open access: yesAdvanced Functional Materials, EarlyView.
A random forest machine learning model is able to make predictions on nanoparticle attributes of different nanomedicines (i.e. lipid nanoparticles, liposomes, or PLGA nanoparticles) based on microfluidic formulation parameters. Machine learning models are based on a database of nanoparticle formulations, and models are able to generate unique solutions
Thomas L. Moore   +7 more
wiley   +1 more source

SI‐bioATRP in Mesoporous Silica for Size‐Exclusion Driven Local Polymer Placement

open access: yesAdvanced Functional Materials, EarlyView.
An enzyme‐catalyzed surface‐initiated atom transfer radical polymerization (SI‐bioATRP) of an anionic monomer within mesoporous silica particles, using hemoglobin as a catalyst, allows for controlling the location of the formed polymer via size‐exclusion effects between the nanopores and the biomacromolecules, thereby opening routes to functional ...
Oleksandr Wondra   +8 more
wiley   +1 more source

Home - About - Disclaimer - Privacy