High-Performance Gradient Evaluation for Complex Soft Materials Using MPI-based DFS Algorithm

2025/03/18 by Bhattacharyya, Anurag
#Computational Engineering #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Materials Science (cond-mat.mtrl-sci) #and Science (cs.CE)

paper · doi:10.48550/arxiv.2504.07111

Abstract

This article presents a depth-first search (DFS)-based algorithm for evaluating sensitivity gradients in the topology optimization of soft materials exhibiting complex deformation behavior. The algorithm is formulated using a time-dependent adjoint sensitivity approach and is implemented within a PETSc-based C++ MPI framework for efficient parallel computing. It has been found that on a single processor, the sensitivity analysis for these complex materials can take approximately 45 minutes. This necessitates the use of high-performance computing (HPC) to achieve feasible optimization times. This work provides insights into the algorithmic framework and its application to large-scale generative design for physics integrated simulation of soft materials under complex loading conditions.

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