A robust and memory-efficient transition state search method for complex energy landscapes.

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom, on-the-fly adaptive remeshing and coarse-graining, and energy landscapes that are locally flat or discontinuous. To resolve these challenges, we introduce a new double-ended method, the Binary-Image Transition State Search (BITSS).

Tailoring the multistability of origami-inspired, buckled magnetic structures compression and creasing.

Origami-inspired multistable structures are gaining increasing interest because of their potential applications in fields ranging from deployable structures to reconfigurable microelectronics. The multistability of such structures is critical for their applications but is challenging to manipulate due to the highly nonlinear deformations and complex configurations of the structures. Here, a comprehensive experimental and computational study is reported to tailor the multistable states of origami-inspired, buckled ferromagnetic structures and their reconfiguration paths.

Predicting Hemiwicking Dynamics on Textured Substrates.

The ability to predict liquid transport rates on textured surfaces is key to the design and optimization of devices and processes such as oil recovery, coatings, reaction-separation, high-throughput screening, and thermal management. In this work we develop a fully analytical model to predict the propagation coefficients for liquids hemiwicking through micropillar arrays. This is carried out by balancing the capillary driving force and a viscous resistive force and solving the Navier-Stokes equation for representative channels.