AI 中文总结
本研究验证SCACS工具包的热导率场与求解器无关，可迁移至Abaqus，其原子信息热导率场能提升连续体热流模拟的预测精度。
AI 中文摘要
近期一项研究推出了原子到连续体尺度模拟器集合（SCACS）工具包，该框架通过将原子分辨的热导率映射到Galerkin有限元公式的刚度矩阵中，改进了热流的有限元预测[Ugwumadu等人，《物理评论·材料》10，053804（2026）]。本文证明，源自SCACS的热导率场与求解器无关，可迁移至现有连续体模拟平台。作为概念验证，我们将复杂硅结构的SCACS衍生热导率场映射到Abaqus中的有限元网格，并将所得热流解与Abaqus内采用常规均匀热导率赋值得到的解进行对比。两种实现方式的对比表明，原子信息热导率场可集成到现有有限元工作流程中，提升实际预测及其解的精度。本研究为提升连续体模拟的预测能力、推进高效材料设计与性能预测的更广泛工作提供支持。
英文摘要
A recent work introduced the Simulator Collection for Atomic-to-Continuum Scales (SCACS) toolkit, a framework for improving finite element predictions of heat flow by mapping atom-resolved thermal conductivity into the stiffness matrix of the Galerkin finite element formulation [Ugwumadu et al., Phys. Rev. Materials 10, 053804 (2026)]. Here, we demonstrate that SCACS-derived conductivity fields are solver-independent and can be transferred to existing continuum simulation platforms. As a proof of concept, we map SCACS-derived conductivity fields from complex silicon structures onto finite element meshes in Abaqus and compare the resulting heat-flow solutions with that obtained using conventional uniform-conductivity assignment within Abaqus. Comparison of the two implementations shows that atom-informed conductivity fields can be incorporated into existing finite element workflows and improve realistic prediction and the accuracy of its solution. This work supports broader efforts to improve the predictive capability of continuum simulations for efficient materials design and property prediction.
Comments10 pages, 5 figures, Structure files available
