Periodic Reporting for period 3 - COTOFLEXI (Computational Modelling, Topological Optimization and Design of Flexoelectric Nano Energy Harvesters)
Período documentado: 2022-08-01 hasta 2024-01-31
Flexoelectricity is the polarization of dielectric materials under the gradient of the strain. At nanoscale, flexoelectricity can be up to 1000 times higher than the conventional way. Flexoelectricity is faced with many challenging issues. First, we do not know the flexoelectric parameters. Currently, the theoretical predictions and experimental values are contradictory to each other, not only by orders of magnitude but even signs opposite. Second, we do not know the interplay between surface piezo, flexo and free charge carriers. Third, there is no simulation and modelling tool.
Why is it important for society?
Flexoelectricity shows many advantages over the conventional piezoelectricity. 1. Non toxic materials. Flexoelectricity can be generated from all type of crystals including silicon and polymer ideal for medical implant and device 2. High power density. Among many rising and exciting perspective of flexoelectricity, in this project, our team focuses on nano energy harvester. The market for energy harvester will grow to 3 billion dollars by 2020. By converting mechanical energy, energy harvester generates sustainable and inexhaustible electricity. It is a key enabling technology to power micro/nano devices, deep brain simulator for Pakinson patient and retinal implant for eyes. Due to these advantages, the development and application of energy harvesters are rapidly growing. It is estimated that the market of energy harvesting systems will grow up to 3.3 billion dollars by 2020
What are the overall objectives?
The final objective of this project is to develop, implement and validate a novel computational framework for the characterization, design, virtual testing and optimization of the next generation flexoelectric
energy harvesters. Computationally designed and optimized innovative flexoelectric energy harvesters expectantly outperforming current piezoelectric energy harvesters of the same size will be manufactured
and tested.
1. Three-dimensional topology optimization of auxetic metamaterial using isogeometric analysis and model order reduction. Computer Methods in Applied Mechanics and Engineering, doi:10.1016/j.cma.2020.113306 https://hal.archives-ouvertes.fr/hal-02954721.
2. Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles. Nano Energy, doi:10.1016/j.nanoen.2020.105716 http://arxiv.org/abs/2012.14706.
3. High flexoelectric constants in Janus transition-metal dichalcogenides. PHYSICAL REVIEW MATERIALS, https://link.aps.org/article/10.1103/PhysRevMaterials.3.125402.
4. Exploration of mechanical, thermal conductivity and electromechanical properties of graphene nanoribbon springs. Nanoscale Advances, doi: 10.1039/d0na00217h http://pubs.rsc.org/en/content/articlepdf/2020/NA/D0NA00217H.
5. Topologically switchable behavior induced by an elastic instability in a phononic waveguide. Journal of Applied Physics, doi: http://aip.scitation.org/doi/am-pdf/10.1063/5.0005331.
6. A meshfree formulation for large deformation analysis of flexoelectric structures accounting for the surface effects. Engineering Analysis with Boundary Elements 120 doi: 10.1016/j.enganabound.2020.07.021 https://api.elsevier.com/content/article/PII:S0955799720301971?httpAccept=text/xml.
7. Intrinsic bending flexoelectric constants in two-dimensional materials. PHYSICAL REVIEW B, https://link.aps.org/article/10.1103/PhysRevB.99.054105.
8. Multilevel Monte Carlo method for topology optimization of flexoelectric composites with uncertain material properties.Engineering Analysis with Boundary Elements, 10.1016/j.enganabound.2021.10.008.
9. Outstandingly high thermal conductivity, elastic modulus, carrier mobility and piezoelectricity in two-dimensional semiconducting CrC2N4: a first-principles study. Materials Today Energy, 10.1016/j.mtener.2021.100839.
10. Exploring tensile piezoelectricity and bending flexoelectricity of diamane monolayers by machine learning. Carbon, 10.1016/j.carbon.2021.09.007.