Results 131 to 140 of about 26,359 (265)

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

Advanced 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, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

Beyond Partitioning: Using Force Field Science to Evaluate Electrostatics Models. [PDF]

J Chem Theory Comput
Najla Hosseini A, Kříž K, van der Spoel D.   +2 more
europepmc   +1 more source

Time‐Dependent Oxidation and Scale Evolution of a Wrought Co/Ni‐Based Superalloy

Advanced Engineering Materials, EarlyView.
This study shows how a new wrought Co/Ni‐based superalloy resists oxidation at 800 ∘$^\circ$C. The oxide scale changes from rough, fast‐growing spinel to a dense, protective chromia–alumina layer. Atom probe analysis reveals tiny refractory‐rich bubbles at the interface that mark the transition to long‐term, diffusion‐controlled protection ...
Cameron Crabb, Zachary T. Kloenne, Samuel R. Rogers, Chi Hang Dominik Kwok, Mark C. Hardy, Michele S. Conroy, David Dye   +6 more
wiley   +1 more source

Lipid Composition Drastically Alters Tau-Membrane Interaction: Implications for Alzheimer's Disease. [PDF]

JACS Au
Wu A, Kandel N, Li S, Enoki TA, Hewes K, Palumbo J, Buttaci M, Jones K, Xia K, Zhao J, Dick RA, Belfort G, Chen J, Forth S, Wang C.   +14 more
europepmc   +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

Analytical Solution for the Potential Distribution in the Channel of A Graphene Field-Effect Transistor Validated with a Custom-Fabricated Test Platform. [PDF]

ACS Appl Electron Mater
Cantudo A, Pasadas F, Pacheco-Sánchez A, Elnahas R, Rojo MM, Roldán JB.   +5 more
europepmc   +1 more source

Slip Localization Intensification Mediated by Grain Boundary Sliding in a Polycrystalline Nickel‐Based Superalloy

Advanced Engineering Materials, EarlyView.
The temperature dependence of fatigue behavior in nickel‐based superalloys is investigated through high‐resolution measurements of plastic localization. While increasing temperature reduces localization and enhances fatigue performance in René 88DT, Inconel 718 exhibits a sharp degradation at intermediate temperature due to intensified slip ...
M. Calvat, D. Anjaria, I. Woo, C. Bean, D. Texier, J. C. Stinville   +5 more
wiley   +1 more source

Viral nucleosome-like particles show increased dynamic behavior and altered thermodynamic stability. [PDF]

Biophys J
Melo ME, Wereszczynski J.
europepmc   +1 more source

Fatigue Crack Initiation and Growth in Nanocrystalline Ni at Multiple Length‐Scales

Advanced Engineering Materials, EarlyView.
Overview of miniaturized in situ SEM fatigue setup and resultant fatigue crack growth data for nanocrystalline Ni. The presented study focuses on the analysis of fatigue crack growth rate (FCGR) in focused ion beam‐notched microcantilevers prepared from nanocrystalline (NC) Ni as a model material.
Igor Moravcik, Alexander Jelinek, Markus Alfreider, Jutta Luksch, Anton Hohenwarter, Florian Schaefer, Christian Motz, Daniel Kiener   +7 more
wiley   +1 more source

A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials. [PDF]

J Chem Theory Comput
Kim D, Wang X, Vargas S, Zhong P, King DS, Inizan TJ, Cheng B.   +6 more
europepmc   +1 more source