Publications associées à Infrared-active phonons in one-dimensional materials and their spectroscopic signatures

Stable cones in the thin one-phase problem

The aim of this work is to study homogeneous stable solutions to the thin (or fractional) one -phase free boundary problem. The problem of classifying stable (or minimal) homogeneous solutions in dimensions n >= 3 is completely open. In this context, axial ...

Johns Hopkins Univ Press2024

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

Searching for the Thinnest Metallic Wire

Nicola Marzari, Davide Campi

One-dimensional materials have gained much attention in the last decades: from carbon nanotubes to ultrathin nanowires to few-atom atomic chains, these can all display unique electronic properties and great potential for next-generation applications. Exfol ...

Amer Chemical Soc2024

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Reactive collision-free motion generation in joint space via dynamical systems and sampling-based MPC

Aude Billard, Nadia Barbara Figueroa Fernandez, Mikhail Koptev

Dynamical system (DS) based motion planning offers collision-free motion, with closed-loop reactivity thanks to their analytical expression. It ensures that obstacles are not penetrated by reshaping a nominal DS through matrix modulation, which is construc ...

Sage Publications Ltd2024

Ion Adsorption Enhances Apparent Nonelectrostatic Attraction between Monomers in Polyelectrolyte Brushes

Harm-Anton Klok, Xingyu Xu, Jing Yu

Polyelectrolyte brushes are responsive to salt in the environment, and this has found broad applications in antifouling, biolubrication, and drug delivery. Salt primarily influences the conformation of the polyelectrolytes through ion adsorption. While ion ...

American Chemical Society2024

An interior penalty coupling strategy for isogeometric non-conformal Kirchhoff-Love shell patches

Annalisa Buffa, Pablo Antolin Sanchez, Giuliano Guarino

This work focuses on the coupling of trimmed shell patches using Isogeometric Analysis, based on higher continuity splines that seamlessly meet the

C^1

requirement of Kirchhoff-Love-based discretizations. Weak enforcement of coupling conditions is achiev ...

Springer2024

Highly dispersed nanomaterials in polymer matrix via aerosol-jet-based multi-material 3D printing

Michael James Henry Smith

Polymer-based nanocomposites emerged in the 1960s as a groundbreaking approach to advanced materials. By incorporating robust, durable, and multifunctional nanomaterials into a polymer matrix, the performance of nanocomposites has significantly surpassed t ...

Elsevier2024

Soft Mechanochemistry of Disulfide-Crosslinked Polymer Networks

Zhao Meng

Mechanochemistry harnesses mechanical force to facilitate chemical reactions. Traditionally, the field of polymer mechanochemistry has used methods to activate chemical bonds, which use forces that are larger than those that are required to break a covalen ...

EPFL2024

The Advection Boundary Law in presence of mean-flow and spinning modes

In the attempt to reduce fuel consumption, a new generation of Ultra-High-By-Pass-Ratio (UHBR) turbofans have been introduced in the aeronautic industry which are structurally noisier especially at lower frequencies, because of their larger diameter, lower ...

SPIE2024