多物理场耦合下材料跨尺度去除模型与亚表面损伤抑制方法数据集
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本数据集面向精密制造及表面工程领域的前沿需求，聚焦多物理场耦合作用下材料跨尺度去除机理与亚表面损伤抑制方法研究，整合氮化镓、钽酸锂、碳化硅及镁铝尖晶石等典型硬脆材料的实验观测与数值模拟数据，旨在为超精密加工工艺优化及亚表面缺陷控制提供多尺度、多维度数据支撑。通过纳米压痕仪在[1210]、[1010]、[0001]等晶向上进行变载划痕实验，结合GPIXP/D激光干涉仪与光学轮廓仪获取表面粗糙度、塑性变形、微裂纹及塑脆转变特征；利用Zeiss Gemini500扫描电镜捕捉划痕全局形貌与局部损伤细节，通过聚焦离子束制备亚表面样品后，采用Tecnai G2F30STWIN透射电镜解析晶格位错、裂纹扩展等纳米级损伤机制。数值模拟方面，基于Ansys Fluent和MATLAB开展流体动压力、材料去除率及抛光区域尺寸的CFD仿真，并运用LAMMPS分子动力学软件构建双划痕模型，模拟纳米尺度下材料去除动力学行为与应力分布规律。数据集按材料与实验类型分为四部分：（1）氮化镓、钽酸锂、碳化硅及MgAl2O4的纳米划痕实验数据，涵盖不同晶向、载荷组合下的力学响应；（2）SEM/TEM跨尺度表面与亚表面损伤观测数据，揭示塑性变形、横向裂纹至脆性断裂的演化路径；（3）基于LAMMPS的分子动力学仿真数据，定量分析双划痕相互作用对亚表面损伤的影响；（4）多物理场耦合仿真与实验对照数据，建立工艺参数（载荷、晶向、磨粒特性）与损伤深度的关联模型。本数据集首次实现硬脆材料跨尺度去除过程中宏-观-微观损伤机制的系统映射，突破传统单一尺度分析的局限性，为优化抛光工艺参数、抑制亚表面损伤及开发高可靠性半导体器件提供关键理论依据，适用于材料科学、机械工程、微电子制造等领域的学术研究及光电子器件、航空航天精密元件等产业应用，具有显著的跨学科创新价值与工程转化潜力。
This dataset targets the cutting-edge demands in the fields of precision manufacturing and surface engineering, focusing on research into cross-scale material removal mechanisms and subsurface damage suppression methods under multiphysics coupling effects. It integrates experimental observation and numerical simulation data of typical hard and brittle materials including gallium nitride (GaN), lithium tantalate, silicon carbide (SiC), and magnesium aluminate spinel (MgAl₂O₄), aiming to provide multi-scale and multi-dimensional data support for ultra-precision machining process optimization and subsurface defect control. Variable-load scratch experiments were conducted on crystal orientations such as [1210], [1010], and [0001] using a nanoindenter. Surface roughness, plastic deformation, microcracks, and brittle-ductile transition characteristics were acquired by combining a GPIXP/D laser interferometer and an optical profiler. A Zeiss Gemini500 scanning electron microscope (SEM) was utilized to capture the global scratch morphology and local damage details. After preparing subsurface samples via focused ion beam (FIB), a Tecnai G2F30STWIN transmission electron microscope (TEM) was employed to analyze nanoscale damage mechanisms such as lattice dislocations and crack propagation. For numerical simulation, computational fluid dynamics (CFD) simulations of hydrodynamic pressure, material removal rate, and polishing zone size were carried out based on Ansys Fluent and MATLAB. Additionally, a dual-scratch model was constructed using the LAMMPS molecular dynamics software to simulate material removal dynamics and stress distribution laws at the nanoscale. The dataset is divided into four parts based on materials and experiment types: 1. Nano-scratch experimental data of GaN, lithium tantalate, SiC, and MgAl₂O₄, covering mechanical responses under different crystal orientations and load combinations; 2. Cross-scale surface and subsurface damage observation data via SEM/TEM, revealing the evolution path from plastic deformation and transverse cracks to brittle fracture; 3. Molecular dynamics simulation data based on LAMMPS, quantitatively analyzing the impact of dual-scratch interaction on subsurface damage; 4. Multiphysics coupling simulation and experimental comparison data, establishing a correlation model between process parameters (load, crystal orientation, abrasive particle characteristics) and damage depth. This dataset is the first to achieve systematic mapping of macro-meso-micro damage mechanisms during the cross-scale material removal process of hard and brittle materials, breaking through the limitations of traditional single-scale analysis. It provides a key theoretical basis for optimizing polishing process parameters, suppressing subsurface damage, and developing high-reliability semiconductor devices. The dataset is applicable to academic research in fields such as materials science, mechanical engineering, and microelectronic manufacturing, as well as industrial applications in optoelectronic devices, aerospace precision components and other sectors, with significant interdisciplinary innovation value and engineering transformation potential.
