Crystalline polymers are dielectrics, capacitors, flexible electronics

Crystalline polymers are a serious materials science subject and a deeply underexplored one. They're the active layer in dielectric capacitors, gate dielectrics for flexible electronics, ferroelectric memory, and high-density energy storage. But the data has been split across two databases that didn't talk to each other.

JARVIS-DFT has ~100,000 3D entries with full property suites (multiple band gap functionals, mechanical properties, dielectric tensors, formation energies) with ~700 crystalline polymers.
⚡ Dielectric tensor: total ε, electronic ε∞, ionic ε — the three components needed for capacitor design
🧱 Crystal structure: space group, lattice parameters, elements, density, dimensionality
💪 Mechanical: bulk modulus, shear modulus, Poisson ratio

Search by formula, JARVIS ID, polymer label, element set, band-gap range, or dielectric constant range. Interactive comparison plots for band gaps across functionals and dielectric components, plus a radar fingerprint that summarizes the property profile.

Why polymers in a materials AI platform: high-permittivity polymers are the bottleneck for next-generation flexible electronics, energy storage, and gate dielectrics. Most computational discovery focuses on inorganics. The crystalline polymer space is open territory, partly because the data was scattered.

🧪 App: https://atomgpt.org/polymer
💻 GitHub: https://github.com/atomgptlab/jarvis
📄 Polymer Genome (Sci. Data 2016): https://doi.org/10.1038/sdata.2016.12
📄 JARVIS dielectric methodology (npj Comp. Mat. 2020): https://doi.org/10.1038/s41524-020-0337-2

Day 17 of 50 — #AtomGPTLab #50Apps: 50 days of materials AI apps shipped to your browser.

#Polymer #Dielectric #Capacitor #FlexibleElectronics #DFT #PolymerGenome #JARVIS #MaterialsScience #BandGap #ComputationalMaterials #AtomGPT #Shorts

Видео Crystalline polymers are dielectrics, capacitors, flexible electronics канала Dr. Kamal Choudhary