Moab is a mesh-free physics code that uses the Reproducing Kernel Particle Method (RKPM – both point collocation and Gaussian quadrature approaches) to solve systems of equations.
This capability is for evaluating electrochemical properties of alkaline- and acid-based electrocatalysts, membranes, and ionomers using a model system to resolve interfacial reactions between ionomers and electrocatalysts in water vapor and liquid environments (water and electrolyte).
Lawrence Berkeley National Laboratory has developed unique metal-supported solid oxide electrochemical cells for about two decades and has a core capability for developing architecture and processing solutions to materials limitations and compatibility issues.
LAMMPS is a classical molecular dynamics code widely used within the materials science community.
LBNL has capabilities to evaluate electrochemical and photoelectrochemical (PEC) properties of (photo)electrocatalysts, and complete cells, in laboratory and on-sun conditions.
A combination of different atomic force microscopy (AFM) techniques able to draw structure-function correlations to optimize photoelectrochemical assemblies under operating conditions (e. g. in liquid, under applied bias and illumination).
In this capability, synchrotron-based x-ray spectroscopies combined with techniques for computational spectroscopy are used to determine the electronic structure of a material, and how this structure evolves under operating conditions.
High-temperature X-ray diffraction (HT-XRD) allows the molecular structure of materials to be determined in situ up to 1,600°C and under dynamic reactive/inert gas environment.
This capability enables elevated temperature fatigue, creep-fatigue, and crack growth testing as well as static exposures of materials in highly controlled environments to study a material's cyclic resistance, fracture mechanics, and more.
This capability provides expertise, methods, and custom additive manufacturing equipment for fabricating electrodes, catalysts and supports for hydrogen production.