Abstract
Large Language Model (LLM)-based multi-agent systems are increasingly applied to automate computational workflows in science and engineering. However, how inter-agent dynamics influence reasoning quality and verification reliability remains unclear. We study these mechanisms using an AutoGen-based multi-agent framework for linear-elastic Finite Element Analysis (FEA), evaluating seven role configurations across four tasks under a fixed 12-turn conversation limit. From 1,120 controlled trials, we find that collaboration effectiveness depends more on functional complementarity than team size: the three-agent Coder-Executor-Critic configuration uniquely produced physically and visually correct solutions, while adding redundant reviewers reduced success rates. Yet three systematic failure modes persist: (1) affirmation bias, where the Rebuttal agent endorsed rather than challenged outputs (85-92% agreement, including errors); (2) premature consensus caused by redundant reviewers; and (3) a