Search for: All records

In this paper, we present a GPU algorithm for finite element hyperelastic simulation. We show that the interior-point method, known to be effective for robust collision resolution, can be coupled with non-Newton procedures and be massively sped up on the GPU. Newton's method has been widely chosen for the interior-point family, which fully solves a linear system at each step. After that, the active set associated with collision/contact constraints is updated. Mimicking this routine using a non-Newton optimization (like gradient descent or ADMM) unfortunately does not deliver expected accelerations. This is because the barrier functions employed in an interior-point method need to be updated at every iteration to strictly confine the search to the feasible region. The associated cost (e.g., per-iteration CCD) quickly overweights the benefit brought by the GPU, and a new parallelism modality is needed. Our algorithm is inspired by the domain decomposition method and designed to move interior-point-related computations to local domains as much as possible. We minimize the size of each domain (i.e., a stencil) by restricting it to a single element, so as to fully exploit the capacity of modern GPUs. The stencil-level results are integrated into a global update using a novel hybrid sweep scheme. Our algorithm is locally second-order offering better convergence. It enables simulation acceleration of up to two orders over its CPU counterpart. We demonstrate the scalability, robustness, efficiency, and quality of our algorithm in a variety of simulation scenarios with complex and detailed collision geometries. 

Skeletal ring enlargement is gaining renewed interest in synthetic chemistry and has recently focused on insertion of one or two atoms. Strategies for heterocyclic expansion through small-ring insertion remain elusive, although they would lead to the efficient formation of bicyclic products. Here, we report a photoinduced dearomative ring enlargement of thiophenes by insertion of bicyclo[1.1.0]butanes to produce eight-membered bicyclic rings under mild conditions. The synthetic value, broad functional-group compatibility, and excellent chemo- and regioselectivity were demonstrated by scope evaluation and product derivatization. Experimental and computational studies point toward a photoredox-induced radical pathway.