TRFB Modeling Toolkit, a MATLAB package for device simulating of thermally regenerative flow battery (TRFB) for harvesting low grade heat. A TRFB has two cells operating at different temperatures, one for generating electricity and the other for the regeneration of the species. Electrolytes are circulated to ensure continuous operation. This modeling toolkit can simultaneously capture the following effects affecting TRFB:
Surface reaction kinetics of redox species
Mass transfer induced overpotential
Electrode polarization overpotential
This package is used to model discharge curves, power density, and energy conversion efficiency. Will be shared upon request.
API_Phonons, a package of python3 scripts that interfaces lammps, atomistic simulation environment (ase), phonopy, alamode, thirdorder.py of ShengBTE and quippy (for machine learning potential) . The package comes with examples for:
Lattice dynamics, third order force constants from either finite displacement or self-consistent calculations
Phononic dielectric function computations
Supports any potential provided by lammps or quippy.
Phonon lifetime calculations using normal mode spectral energy density
This package is shared on GitHub.
Thermal model for pump-probe thermoreflectance, sensitivity analysis, and multivariate error propagation. This code has three parts:
One-channel diffusive solution with cylindrical symmetry for circular laser spot
One-channel diffusive solution for generic anisotropy, suitable for noncircular laser spot and offset pump and probe
Two-channel diffusive solution for nonequlibrium transport
Download the code here. If you find this code useful, hopefully you can cite one or some of the following papers:
X. Qian et al. Materials Today Physics, 3, 70-75, 2017.
P. JIang (#), X. Qian (#), et al. Advanced Materials, 29, 1701068, 2017.
P. Jiang, X. Qian and R. Yang, Rev. Sci. Instrum., 88, 074901, 2017, and Rev. Sci. Instrum. 89, 094902, 2018.
Xin Qian et al. Appl. Phys. Lett., 112, 241901, 2018.