---
格式版本: 2
标题: "Multi-scale modeling of high strain rate deformation and spall fracture in poly-crystalline metals"
原文链接: "https://arxiv.org/abs/2608.10734"
发布日期: "2026-08-11"
发布时间校准状态: "found"
发布时间需复核: "否"
发布时间来源: "rule:local:strict_original_body"
发布时间证据: "**\\[v1\\]** Tue, 11 Aug 2026 09:54:18 UTC (6,733 KB)"
发布时间校准原因: "规则确认唯一严格发布时间，来源 local:strict_original_body"
发布时间校准置信度: "high"
发布时间候选数量: 18
发布时间严格候选数量: 6
发布时间原页读取状态: "source template page reused from URL open"
发布时间未找到原因: ""
发布时间校准时间: "2026-08-12T11:27:29+08:00"
发布时间仲裁状态: "skipped"
发布时间仲裁尝试次数: 0
发布时间仲裁耗时毫秒: 0
发现时间: "2026-08-12T11:25:10+08:00"
入库时间: "2026-08-12T03:27:29.667Z"
来源平台: "arXiv 学术论文搜索"
搜索渠道: "source_template"
搜索词: "https://arxiv.org/search/?query=model%20fit&searchtype=all"
匹配关键词:
  - "model fit"
相关厂家:
  []
相关专家:
  []
内容类型: "网页"
抓取工具: "Free Fetch + Defuddle"
清洗工具: "Defuddle Markdown + Defuddle/Readability 正文提取"
原始附件:
  []
AI优质: "否"
AI打分: 5
AI分档: "非优质"
AI质检状态: "不通过"
AI打分理由: "资料为arXiv材料科学论文，内容为多尺度建模与金属断裂，与超节点/AI Rack/机柜级AI基础设施完全无关，仅搜索词命中'model fit'但无实际关联。"
AI质检模型: "ali-deepseek-v4-flash"
AI质检时间: "2026-08-12T11:27:48+08:00"
AI主题相关性: 0
AI来源权威性: 5
AI新颖性: 0
AI技术细节: 0
AI商业部署信号: 0
AI完整性: 0
采集批次: "2026年8月12日2点04分20秒"
采集批次ID: "20260812-020420-289"
去重键: "https://arxiv.org/abs/2608.10734"
---

## Condensed Matter > Materials Science

## Title:Multi-scale modeling of high strain rate deformation and spall fracture in poly-crystalline metals

Authors:[S Madhavan](https://arxiv.org/search/cond-mat?searchtype=author&query=Madhavan,+S)

[View PDF](https://arxiv.org/pdf/2608.10734)

> Abstract:This thesis utilizes a multiscale method by connecting molecular dynamics (MD) based information to hydrodynamic macroscopic calculations for investigating the shock response and spallation of metals. First, shock propagation in Cu, Al, and Ni single crystals is simulated up to $100$ GPa at strain rates $>10^6$ s $^{-1}$. Shock-Hugoniot ($U_s$ - $U_p$) relations agree strongly with experiments (error $<6\\%$); the Foiles EAM potential shows the least deviation for Ni. Second, a multiscale framework linking MD atomic void kinetics to hydrodynamic macro-calculations is established. Using particle swarm optimization (PSO), Nucleation and Growth (NAG) parameters are extracted for Cu, Nb, Mo, and Al, yielding free surface velocity (FSV) profiles matching experiments within $8\\%$ for Al. Third, deformation across ten Al tilt (STGB) and twist (STwGB) bicrystals at rates of $10^{10}$ - $10^{11}$ s $^{-1}$ proves that threshold spallation depends on boundary misorientation. Phase transitions near GBs lower spall strength at high $U_p$, whereas GB plasticity prolongs pull-back and delays spallation (e.g., $14.2^\circ$ STwGB). FSV methods are found to underestimate true peak tensile strength. Fourth, the framework is extended to polycrystals via 11 STGB and 12 STwGB configurations. Voids consistently nucleate at weakened GBs. Unique NAG parameters are fitted using PSO for all 23 bicrystals. An Average Void Growth in a Fluid Element (AVGFE) model is introduced to map these distinct boundary properties into 1D hydrodynamic codes. The combined model is validated against empirical Al flyer impacts at $518$, $1588$, and $2275$ m/s. The simulated temporal FSV curves mirror experiments, with spall strength deviations tightly bounded within $2.15\\%$, $2.9\\%$, and $6.0\\%$, respectively, and spall thickness deviations within $2.4$-$4.0\\%$.

| Comments: |  |
| --- | --- |
| Subjects: | Materials Science (cond-mat.mtrl-sci) |
| Cite as: | [arXiv:2608.10734](https://arxiv.org/abs/2608.10734) \[cond-mat.mtrl-sci\] |
|  | (or [arXiv:2608.10734v1](https://arxiv.org/abs/2608.10734v1) \[cond-mat.mtrl-sci\] for this version) |
|  | [https://doi.org/10.48550/arXiv.2608.10734](https://doi.org/10.48550/arXiv.2608.10734) |

## Submission history

From: Srinivasagopalan Madhavan \[[view email](https://arxiv.org/show-email/0f6befee/2608.10734)\]  
**\[v1\]** Tue, 11 Aug 2026 09:54:18 UTC (6,733 KB)

[Which authors of this paper are endorsers?](https://arxiv.org/auth/show-endorsers/2608.10734) | Disable MathJax ([What is MathJax?](https://info.arxiv.org/help/mathjax.html))
