MD Multi-Scale Interface Simulator

MWCNT / PEEK / Carbon Fiber / GH4169 Superalloy Interface Workflow

Engine Ready (LAMMPS Integrated)

3D Atomistic MD Structure Viewport

Interface 1: Carbon Fiber Slab
Interface 2: PEEK Matrix + Functionalized MWCNT
Interface 3: GH4169 Nickel Superalloy
Atoms: 24,850 Temp: 300 K Box: 65 x 65 x 180 Å

Interface Diagnostics

Computed MD Metrics

Peak IFSS 78.4 MPa
Work of Adhesion 342 mJ/m²
Kapitza Resistance 4.12 m²K/GW
Dominant Damage PEEK Debonding

> MD Workflow initialized.

> Select parameters from Workflow Steps on the left.