Advanced Engineering Materials, EarlyView.Disordered (Fe50Co50)1−xPtx thin films exhibit a pronounced anomalous Nernst effect (ANE) with a strong composition dependence on both rigid and flexible substrates. The transverse thermoelectric response peaks near 22.5 at.% Pt, accompanied by enhanced αxy/σxy scaling, thermal transport, and ANE sensitivity.
Mojtaba Mohammadi +2 more
wiley +1 more source
FE-ToolKit: A Versatile Software Suite for Analysis of High-Dimensional Free Energy Surfaces and Alchemical Free Energy Networks. [PDF]
J Chem Inf ModelGiese TJ +7 more
europepmc +1 more source
Effect of Laser Deoxidation on Adhesive‐Bonded Aluminum in an Oxygen‐Free Atmosphere
Advanced Engineering Materials, EarlyView.This study investigates laser ablation of aluminum under oxygen‐free conditions. The goal is to produce oxide‐free substrates that enable improved adhesive bonding with epoxy. Optimized laser parameters (90% overlap, 300 µJ) combined with oxide‐free substrates result in the highest tensile strength of the adhesive bond.
Sandra Gerland +5 more
wiley +1 more source
Conformational dynamics and binding free energy analyses unveil a stable flavonoid inhibitor of dengue virus NS5 polymerase. [PDF]
Sci RepAlsaady IM +5 more
europepmc +1 more source
Setup‐Optimized Sequencing in Job Shops: Modeling Workstation Productivity and Lateness Behavior
Advanced Engineering Materials, EarlyView.Setup‐optimized sequencing in job‐shop production creates a trade‐off between productivity improvement and schedule reliability. A WIP‐explicit modeling framework links sequencing‐induced productivity gains and lateness dispersion through the production operating curve.
Friederike Stefanowski +2 more
wiley +1 more source
Free-energy perturbation in the exchange-correlation space accelerated by machine learning: application to silica polymorphs. [PDF]
NPJ Comput MaterForslund A +3 more
europepmc +1 more source
Advanced Engineering Materials, EarlyView.A combined finite element and phase‐field approach predicts the evolution of microstructure during the directional solidification of Ni‐based superalloys. The model reveals how withdrawal rate, temperature gradient, and wall thickness control the dendrite spacing, highlighting the strong effect of surface regions in thin sections where dendrite growth ...
Sean Böhm +3 more
wiley +1 more source
Accurate affinity models for SH2 domains from peptide binding assays and free-energy regression. [PDF]
Protein SciGagoski D +7 more
europepmc +1 more source
Removing Oxide Layers and Retaining Oxide‐Free Steel Surfaces by Polishing in Oxygen‐Free Atmosphere
Advanced Engineering Materials, EarlyView.In this study, the efficacy of wet mechanical polishing under an oxygen‐free atmosphere for deoxidation and the retention of an oxide‐free steel surface are elucidated using X‐ray photoelectron spectroscopy. The methodology proved successful; however, the results were highly dependent on the preparation of the solvents used to clean the samples after ...
Friedrich Bürger +2 more
wiley +1 more source
Toward Reconciling the Standard Binding Free Energy of Lenacapavir to HIV-1 Capsid with Experiment: Thermodynamic Effects of Solvent Buffer and Ligand Reorganization. [PDF]
J Phys Chem BSun Q, Gallicchio E, Levy R, Deng N.
europepmc +1 more source