Sentence examples for use a simulation cell from inspiring English sources

Model predictions of the surface metal-oxygen bond distances and H-bonding configurations should use a simulation cell comprised of multiple surface unit cells to allow for relaxation beyond what is achievable with single unit cell models.

The Amber 11 software simulation package was used to carry out MD simulations using a cubic simulation cell to apply periodic boundary conditions.

We have chosen a simulation cell typical of those used in structural atomic-resolution STEM studies, a complex Ruddlesden Popper (RP) layered oxide.

The present study is aimed at integrating a power system for reformer, PrOx and PEM fuel cells using a simulation model.

The 2D square lattice is the most commonly used 2D simulation cell for qualitative studies of the general mechanisms.

Herein, we performed a device modeling and theoretical study on planar perovskite solar cells without a hole transporting material (HTM) using a solar cell simulation program (wxAMPS) as an update of the popular solar cell simulation tool (AMPS; Analysis of Microelectronic and Photonic Structures).

For the 1 × 3 × 2 supercell model, a 1 × 1 × 1 grid (i.e., gamma-point) was used because the simulation cell was nearly cubic with dimensions of 9.9 × 9.0 × 9.2 Å.

We have used a whole-cell simulation model to study the dynamics of translation.

The method allows us to explore long time-scale evolution while using large simulation cells.

This is compared with and verified by a more detailed macroscopic simulation using a velocity-based Cell Transmission Model (CTM-v).

For comparison, we compute the steady-state fields with a continuous source (making sure to force the fields to be complex) over the same region in a separate simulation using a larger computational cell that contains within it the far-field region, from which is obtained the images shown in (b).