Simulations of elastic turbulence, the chaotic flow of highly elastic and inertialess polymer solutions, are plagued by numerical difficulties: The chaotically advected polymer conformation tensor develops extremely large gradients and can loose its positive definiteness, which triggers numerical instabilities. While efforts to tackle these issues ...
Published in ArXiv
Rapid advancements in high-throughput single-cell RNA-seq (scRNA-seq) technologies and experimental protocols have led to the generation of vast amounts of genomic data that populates several online databases and repositories. Here, we systematically examined large-scale scRNA-seq databases, categorizing them based on their scope and purpose such a...
Understanding the mechanisms behind the remote triggering of landslides by seismic waves at micro-strain amplitude is essential for quantifying seismic hazards. Granular materials provide a relevant model system to investigate landslides within the unjamming transition framework, from solid to liquid states. Furthermore, recent laboratory experimen...
L’archéologie s’ouvre à l’étude de phénomènes récents, cherchant à comprendre les pratiques sociales actuelles pour contribuer à la résolution des défis sociétaux contemporains. Notre travail s'inscrit dans cette perspective en appliquant une approche archéologique à l'analyse des destructions anthropiques du patrimoine méso-américain. Nous nous co...
Nuclear magnetic resonance relaxometry represents a powerful tool for extracting dynamic information. Yet, obtaining links to molecular motion is challenging for many ions that relax through the quadrupolar mechanism, which is mediated by electric field gradient fluctuations and lacks a detailed microscopic description. For sodium ions in aqueous e...
Published in European journal of medicinal chemistry
Tyrosinase, a copper-containing enzyme critical in melanin biosynthesis, is a key drug target for hyperpigmentation and melanoma in humans. Testing the inhibitory effects of compounds using tyrosinase from Agaricus bisporus (AbTYR) has been a common practice to identify potential therapeutics from synthetic and natural sources. However, structural ...
In this paper, we propose a new approach to compute the projection of a set defined by polynomial equations. It assumes that the polynomial equations have some nice symmetries and that a solution of the projection problem is already available in the case where the variables along which we project are all positive. A new interval-based algorithm whi...
Published in Scientific Reports
This paper presents a new strategy to generate synthetic samples containing casting defects. Four samples of Inconel 100 containing casting defects such as shrinkages and pores have been characterized using X-ray tomography and are used as reference for this application. Shrinkages are known to be tortuous in shape and more detrimental for the mech...
Published in Nature Communications
Fast and accurate prediction of bulk moduli for diverse materials is challenging. Here, the authors introduce the concept of atomic stiffness to accelerate bulk modulus prediction and high-throughput screening of ultra-incompressible crystals.
Quantifying the level of atomic disorder within materials is critical to understanding how evolving local structural environments dictate performance and durability. Here, we leverage graph neural networks to define a physically interpretable metric for local disorder. This metric encodes the diversity of the local atomic configurations as a contin...
