Results 141 to 150 of about 949,044 (283)

Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost. [PDF]

J Chem Theory Comput
Berta D, Csóka J, Samu G, Nagy PR.
europepmc   +1 more source

Thermodynamic Pathways of Nonequilibrium Solidification in Wire‐Arc Additive Manufacturing Fe‐Based Multicomponent Alloy Structures

Advanced Engineering Materials, EarlyView.
Geometry‐driven thermal behavior in wire‐arc additive manufacturing (WAAM) influences microstructural evolution during nonequilibrium solidification of a chemically complex Fe–Cr–Nb–W–Mo–C nanocomposite system. By comparing different deposits configurations, distinct entropy–cooling rate correlations, segregation, and carbide evolution are revealed ...
Blanca Palacios, Anthony Gonzalez, Aleksander Aleman, Tyler Dolmetsch, Tanaji Paul, Arvind Agarwal   +5 more
wiley   +1 more source

Insights into Hydrogen Diffusion Characteristics and Interactions with Vacancy in Fe Crystal Lattices from First-Principles Calculations. [PDF]

Materials (Basel)
Feng Y, He M, Huang G, Zhao W, Cai Z, Zhang D, Bao J.   +6 more
europepmc   +1 more source

Tailored Hierarchical Porous Copper Architectures via Three Dimensional Printing and Pressure‐less Sintering for Next‐Generation Lithium‐Metal Batteries

Advanced Engineering Materials, EarlyView.
A hierarchical porous copper current collector is fabricated via three‐dimensional printing combined with pressureless sintering to stabilize lithium metal anodes. The interconnected architecture lowers local current density, guides uniform Li deposition within pores, and suppresses dendrite growth.
Alok Kumar Mishra, Mukul Shukla
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

Thermomechanical Fatigue and Creep–Fatigue Interaction of Inconel 718 Additively Manufactured by Laser Beam Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
Thermomechanical fatigue tests of laser beam powder bed fusion (PBF‐LB) Inconel 718 show that the additively manufactured material reaches almost the lifetimes of conventionally‐rolled material under no‐dwell conditions. Introducing dwell times at the maximum temperature markedly reduces the lifetimes due to pronounced grain boundary sliding associated
Stefan Guth, Tomáš Babinský, Jan Lars Riedel, Wen Hao Kan, Aijun Huang, Martin Heilmaier, Ivo Šulák   +6 more
wiley   +1 more source

A Quadrupolar Fullerene Model System for Benchmarking Enhanced Sampling of Trapped Waters in Free Energy Calculations. [PDF]

J Phys Chem B
Wagle S, Mobley DL.
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

Density-Functional Theory Shows 2<i>H</i>‑Tetraphenylporphyrin Prefers Physisorption over Chemical Bonding on Ag(111). [PDF]

ACS Omega
Naseri S, Johansson G, Abbas G, Sajjad M, Larsson JA.   +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