Results 181 to 190 of about 1,672,341 (295)

AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline. [PDF]

J Chem Inf Model
Fellinger C, Sappl M, Szabadi A, Merget B, Schleifer KJ, Langer T.   +5 more
europepmc   +1 more source

Composition‐Tuned Enhancement of the Anomalous Nernst Effect in FeCo–Pt Thin Films on Rigid and Flexible Substrates

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, Hiroyuki Awano, Kenji Tanabe   +2 more
wiley   +1 more source

Making PLUMED Fly: A Tutorial on Optimizing Performance. [PDF]

J Phys Chem B
Rapetti D, Bonomi M, Camilloni C, Bussi G, Tribello GA.   +4 more
europepmc   +1 more source

On the Influence of Antioxidants and Recycled MgO–C Source Material on the Mechanical Properties of Carbon‐Bonded Magnesia Refractories

Advanced Engineering Materials, EarlyView.
The presented study focuses on the fracture behaviour of carbon‐bonded magnesia MgO–C refractories, where environmentally friendly fructose, collagen and lignin serve as temporary binding agents. The partial substitution of the source material with recycled MgO–C reduces the fracture resistance, which can be counteracted by the additional introduction ...
Marc Neumann, Tom Weber, Jana Hubálková, Florian Kerber, Dinesh Kumar Gunasekar, Hans Jelitto, Christos G. Aneziris   +6 more
wiley   +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, Finn‐Lennard Janthur, Sarah Seffer, Jörg Hermsdorf, Ludger Overmeyer, Annika Raatz   +5 more
wiley   +1 more source

New predicted dual CDK-2/CDK-1 inhibitors from Aspergillus unguis isolate SP51-EGY with relative selectivity for colorectal cancer cells: a computational and experimental approach. [PDF]

Sci Rep
El-Rashedy AA, Ibrahim AM, Abdel-Aziz MS, Fayad W, El-Hady FKA.   +4 more
europepmc   +1 more source

Four‐Point Bending Tests at High Temperatures on Commercial MgO‐C Refractory Bricks with and Without Recyclate Considering Different Carbon Contents

Advanced Engineering Materials, EarlyView.
Four‐point bending tests are conducted in an argon atmosphere on commercial MgO‐C brick grades with and without MgO‐C recyclate from room temperature up to 1300 °C. No detrimental effect of the MgO‐C recyclates on bending strength is found. Instead, a decisive influence of the total carbon content is observed, with lower total carbon contents ...
Alexander Schramm, Lukas Knöchel, Thomas Schemmel, Christos G. Aneziris, Anja Weidner, Horst Biermann   +5 more
wiley   +1 more source

Investigation of Thermo‐Chemical Processes in Commercial MgO‐C Refractory Bricks With and Without MgO‐C Recyclate at Elevated Temperatures

Advanced Engineering Materials, EarlyView.
This study investigates thermo‐chemical processes during high‐temperature testing of two commercial MgO‐C brick grades, one containing 47.5 wt.% MgO‐C recyclate. Using ETV, DTA/TG‐MS, XRD, and SEM/EDS/EBSD, mechanisms such as carbothermal reduction of magnesia, impurity incorporation into the secondary MgO surface layer, and calcium‐rich phase ...
Alexander Schramm, Jana Hubálková, Christian Schimpf, Thomas Schemmel, Christos G. Aneziris, Anja Weidner, Horst Biermann   +6 more
wiley   +1 more source

3D dynamic structure of a Pt nanoparticle on SrTiO₃ (001) during in-situ heating atomic-resolution ADF STEM imaging. [PDF]

Nat Commun
Ishikawa R, Kubota R, Kawahara K, Futazuka T, Ikuhara Y, Shibata N.   +5 more
europepmc   +1 more source

Thermophysical Properties of the Desulphurization Slags With Various CaS and CaO/Al2O3 Ratio

Advanced Engineering Materials, EarlyView.
This article investigates how CaS content and the CaO/Al2O3 ratio influence the thermophysical properties of desulphurization slags. Using experimental measurements and thermodynamic simulations, this study reveals complex effects on viscosity, surface tension, and density, providing new insight into slag structure and phase behavior under ...
Eldar Salpagarov, Matheus Roberto Bellé, Anton Yehorov, Julia Richter, Olena Volkova   +4 more
wiley   +1 more source