A5002947734- Cellular Mechanics and Interactions
- Numerical methods in engineering
- Composite Material Mechanics
- Rock Mechanics and Modeling
- 3D Printing in Biomedical Research
- Machine Learning in Materials Science
- Graphene research and applications
- Carbon Nanotubes in Composites
- Masonry and Concrete Structural Analysis
- Advanced Mathematical Modeling in Engineering
- Advanced ceramic materials synthesis
- Structural Behavior of Reinforced Concrete
- Microtubule and mitosis dynamics
- Protein Structure and Dynamics
- Fluid Dynamics Simulations and Interactions
- Advanced Data Storage Technologies
- High-Velocity Impact and Material Behavior
- Elasticity and Material Modeling
- Parallel Computing and Optimization Techniques
- Advanced Surface Polishing Techniques
- Advanced Numerical Analysis Techniques
- Nuclear Structure and Function
- Force Microscopy Techniques and Applications
- Building materials and conservation
- Microfluidic and Bio-sensing Technologies
Centre National de la Recherche Scientifique
2014-2025
Université de Rennes
2022-2025
Institut de Physique de Rennes
2021-2025
University College London
2019-2023
Institut des Sciences Moléculaires
2018-2020
Institut des Sciences du Mouvement Etienne-Jules Marey
2018-2020
Aix-Marseille Université
2017-2020
Hôpital Sainte-Marguerite
2019
Université Paris-Saclay
2014-2016
École Normale Supérieure Paris-Saclay
2014-2016
Cells have evolved multiple mechanisms to apprehend and adapt finely their environment. Here we report a new cellular ability, which term "curvotaxis" that enables the cells respond cell-scale curvature variations, ubiquitous trait of biotopes. We develop ultra-smooth sinusoidal surfaces presenting modulations in all directions, monitor cell behavior on these topographic landscapes. show adherent avoid convex regions during migration position themselves concave valleys. Live imaging combined...
For the computational design of new polymeric materials, accurate methods for determining glass transition temperature (Tg) are required. We apply an ensemble approach in molecular dynamics (MD) and examine its predictions Tg their associated uncertainty. separate uncertainty into aleatoric contributions arising from dynamical chaos that due to scenarios chosen compute Tg. propose a scenario computing Tg, where density–temperature behavior is computed by running all temperatures...
Abstract Uncertainty quantification (UQ) is rapidly becoming a sine qua non for all forms of computational science out which actionable outcomes are anticipated. Much the microscopic world atoms and molecules has remained immune to these developments but due fundamental problems reproducibility reliability, it essential that practitioners pay attention issues concerned. Here UQ study undertaken classical molecular dynamics with particular focus on uncertainties in high-dimensional...
Classical molecular dynamics is a computer simulation technique that in widespread use across many areas of science, from physics and chemistry to materials, biology, medicine. The method continues attract criticism due its oft-reported lack reproducibility which part failure submit it reliable uncertainty quantification (UQ). Here we show the arises combination (i) input parameters (ii) intrinsic stochasticity controlled by random seeds. To illustrate situation, make systematic UQ analysis...
The fundamental understanding of the root causes failure requires information on atomic-scale processes. Molecular dynamics (MD) simulations are widely used to provide these insights while maintaining chemical specificity. However, boundary conditions that can be applied in MD fracture limited linear-elastic mechanics (LEFM) far-field solution, posing restrictions simulating bending or shearing deformations commonly classical experimental setups. This has date prevented accurate and precise...
Recent experiments hint that adherent cells are sensitive to their substrate curvature. It is already well known behaviour can be regulated by the mechanical properties of environment. However, no mechanisms have been established regarding influence cell-scale curvature substrate. Using a numerical cell model, based on tensegrity structures theory and non-smooth contact dynamics method, we propose investigate state concave convex hemispheres. Our model features geometrical description...
We present the VECMA toolkit (VECMAtk), a flexible software environment for single and multiscale simulations that introduces directly applicable reusable procedures verification, validation (V&V), sensitivity analysis (SA) uncertainty quantification (UQ). It enables users to verify key aspects of their applications, systematically compare validate simulation outputs against observational or benchmark data, run conveniently on any platform from desktop current multi-petascale computers. In...
Using very large-scale classical molecular dynamics, the mechanics of nano-reinforcement graphene-based nanocomposites are examined. Simulations show that significant quantities large, defect-free, and predominantly flat graphene flakes required for successful enhancement materials properties in excellent agreement with experimental proposed continuum shear-lag theories. The critical lengths approximately 500 nm 300 oxide (GO). reduction Young's modulus GO results a much smaller composite's...
Abstract Graphene continues to attract considerable attention from the materials science community through its potential for improving mechanical properties of polymer thermosets, yet there remains uncertainty over underlying mechanisms. The effect introducing graphene sheets a typical thermosetting network on behaviour is explored here concurrently coupling molecular dynamics with finite element solver. In this multiscale approach, observed act in two ways: as passive microscopic defects,...
Mechanisms emerging across multiple scales are ubiquitous in physics and methods designed to investigate them becoming essential. The heterogeneous multiscale method (HMM) is one of these, concurrently simulating the different while keeping separate. Owing significant computational expense, developments HMM remain mostly theoretical applications physical problems scarce. However, highly scalable well suited for high performance computing. With wide availability multi-petaflop...
Abstract The current approach to materials discovery and design remains dominated by experimental testing, frequently based on little more than trial error. With the advent of ever powerful computers, rapid, reliable, reproducible computer simulations are beginning represent a feasible alternative. As high performance computing reaches exascale, exploiting resources efficiently presents interesting challenges opportunities. Multiscale modeling simulation extremely promising candidates for...
Summary Comprehension and quantification of quasi‐brittle materials behavior require complex experiments when focusing on cyclic or multi‐axial loadings. As an alternative, virtual testing, which can be computed using lattice discrete elements models (LDEM), is particularly interesting. LDEM already provide a physical description the behavior, but further attention has to paid numerical integration. are explicitly integrated, such integration been proven in literature accurate cracking...
Collagen type I is well-known for its outstanding mechanical properties which it inherits from hierarchical structure. fibrils may be viewed as a heterogeneous material made of protein, macromolecules (such glycosaminoglycans and proteoglycans) water. Water content modulates the these fibrils. Yet, water fine interactions with protein constituent heterofibrils have only received limited attention. Here, we propose to model collagen hydrated structure tropocollagen molecules assembled in...
New applications that can exploit emerging exascale computing resources efficiently, while providing meaningful scientific results, are eagerly anticipated. Multi-scale models, especially multi-scale applications, will assuredly run at the exascale. We have established a class of implementing heterogeneous model follows, (HMC) pattern, which typically features macroscopic synchronising numerous independent microscopic simulations. Consequently, communication between simulations is limited....
Advanced nanoelectromechanical systems made from polymer dielectrics deposited onto 2D-nanomaterials such as graphene are increasingly popular pressure and touch sensors, resonant capacitive micromachined ultrasound transducers (CMUTs). However, durability accuracy of layered nanocomposites depend on the mechanical stability interface between layers. Here we used molecular dynamics computer simulations to investigate a sheet layer parylene-C thermoplastic during large numbers high-frequency...