Computational materials science: Predictions of pinning.

Nature

Theoretical Materials Physics of the CESAM Research Unit, University of Liège, 4000 Liège, Belgium.

Published: June 2016

Download full-text PDF

Source
http://dx.doi.org/10.1038/534331aDOI Listing

Publication Analysis

Top Keywords

computational materials
4
materials science
4
science predictions
4
predictions pinning
4
computational
1
science
1
predictions
1
pinning
1

Similar Publications

Selective O/N Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics.

Nanomaterials (Basel)

December 2024

Departament de Ciència de Materials i Química Física, Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquès 1-11, 08028 Barcelona, Spain.

The separation of oxygen (O) and nitrogen (N) from air is a process of utmost importance nowadays, as both species are vital for numerous fundamental processes essential for our development. Membranes designed for their selective molecule separation have become the materials of choice for researchers, primarily due to their ease of use. The present study proposes grazynes, 2D carbon-based materials consisting of and C atoms, as suitable membranes for separating O and N from air.

View Article and Find Full Text PDF

Deciphering Surface-Localized Structure of Nanodiamonds.

Nanomaterials (Basel)

December 2024

Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China.

Nanomaterials, heralded as the "new materials of the 21st century" for their remarkable physical and chemical properties and broad application potential, have attracted substantial attention in recent years. Among these materials, which challenge traditional physical boundaries, nanodiamonds (NDs) are widely applied across diverse industries due to their exceptional surface multifunctionality and chemical stability. Nevertheless, atomic-level manipulation of NDs presents considerable challenges, which require detailed structural analysis to thoroughly elucidate their properties.

View Article and Find Full Text PDF

Pleozymes: Pleiotropic Oxidized Carbon Nanozymes Enhance Cellular Metabolic Flexibility.

Nanomaterials (Basel)

December 2024

Center for Genomics and Precision Medicine, Institute of Bioscience and Technology, Texas A&M Health Science Center, Houston, TX 77030, USA.

Our group has synthesized a pleiotropic synthetic nanozyme redox mediator we term a "pleozyme" that displays multiple enzymatic characteristics, including acting as a superoxide dismutase mimetic, oxidizing NADH to NAD, and oxidizing HS to polysulfides and thiosulfate. Benefits have been seen in acute and chronic neurological disease models. The molecule is sourced from coconut-derived activated charcoal that has undergone harsh oxidization with fuming nitric acid, which alters the structure and chemical characteristics, yielding 3-8 nm discs with broad redox potential.

View Article and Find Full Text PDF

TiZrMoC coatings were deposited on Si(100) substrates using a DC dual magnetron sputtering. The composition was controlled by adjusting the sputtering parameters of the TiZrMo and graphite targets. The influence of graphite target current on the resulting coating properties was explored.

View Article and Find Full Text PDF

Study Design: Retrospective cohort.

Objective: To analyze the annual trends in the most prevalent topics, journals, and geographic regions of the top 100 spine surgery articles, as determined by altmetric attention scores (AASs). We also describe the relationship between AAS and traditional article metrics.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!