Results 131 to 140 of about 16,813,404 (391)
Advanced Engineering Materials, EarlyView.Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley +1 more source
Topological Phases in the Single-Layer FeSe
, 2014 A distinct electronic structure was observed in the single-layer FeSe which shows surprising high temperature superconductivity over 65k. Here we demonstrate that the electronic structure can be explained by the strain effect due to substrates.
Hao, Ningning, Hu, Jiangping
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Advanced Engineering Materials, EarlyView.This study demonstrates a novel, additive manufacturing approach to produce complex, porous tungsten carbide structures using water‐based direct ink writing/robocasting. Leveraging a modified commercial printer and heat treatment, the process yields lightweight, electrically conductive 3D architectures capable of supporting a mechanical load.
James Bentley Bevis +3 more
wiley +1 more source
Beyond Order: Perspectives on Leveraging Machine Learning for Disordered Materials
Advanced Engineering Materials, EarlyView.This article explores how machine learning (ML) revolutionizes the study and design of disordered materials by uncovering hidden patterns, predicting properties, and optimizing multiscale structures. It highlights key advancements, including generative models, graph neural networks, and hybrid ML‐physics methods, addressing challenges like data ...
Hamidreza Yazdani Sarvestani +4 more
wiley +1 more source
Metal-insulator transition and local-moment collapse in FeO under pressure
, 2015 We employ a combination of the \emph{ab initio} band structure methods and dynamical mean-field theory to determine the electronic structure and phase stability of paramagnetic FeO at high pressure and temperature.
Leonov, I.
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Advanced Engineering Materials, EarlyView.Laser surface texturing significantly improves the corrosion resistance and mechanical strength of 3D‐printed iron polylactic acid (Ir‐PLA) for marine applications. Optimal laser parameters reduce corrosion by 80% and enhance tensile strength by 25% and ductility by 15%.
Mohammad Rezayat +6 more
wiley +1 more source
Missing Linkers: An Alternative Pathway to UiO-66 Electronic Structure Engineering
Chemistry of Materials, 2017 UiO-66 is a promising metal–organic framework for photocatalytic applications. However, the ligand-to-metal charge transfer of an excited electron is inefficient in the pristine material.
Arthur De Vos +4 more
semanticscholar +1 more source
Advanced Engineering Materials, EarlyView.Phase diagrams of transition‐metal di‐pnictides have been efficiently and quickly explored by combinatorial deposition of transition‐metal films and subsequent antimonization enabling the study of compounds with volatile elements. In (Fe,Ni)Sb2 and the (Fe,Cr)Sb2 substitution series, phase separation has been evidenced between class‐A and B marcasites ...
Martin Kostka +8 more
wiley +1 more source
Scientific ReportsTwo-dimensional (2D) graphene and graphene-related materials (GRMs) show great promise for future electronic devices. GRMs exhibit distinct properties under the influence of the substrate that serves as support through uneven compression/ elongation of ...
George Kourmoulakis +11 more
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The Electronic Structures of Azine Compounds. I. The Molecular Structures and the Electronic States of Fluoflavine and Fluorubine [PDF]
, 1956 Yûmi Akimoto
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