LEAPS-MPS: Unraveling the Surface Effects on Tungsten-Based Plasma-Facing Materials Through First-Principles Calculations

LEAPS-MPS:通过第一性原理计算揭示钨基等离子体表面材料的表面效应

基本信息

  • 批准号:
    2213272
  • 负责人:
  • 金额:
    $ 24.95万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2022
  • 资助国家:
    美国
  • 起止时间:
    2022-09-01 至 2024-08-31
  • 项目状态:
    已结题

项目摘要

This award is funded in whole under the American Rescue Plan Act of 2021 (Public Law 117-2).NONTECHNICAL SUMMARYFusion, the nuclear reaction that powers the sun, is an energy source with one of the highest energy densities. However, there is a lack of understanding associated with the plasma-facing materials (PFMs), which are located in a critical region of the fusion reactor vessel that provides the physical boundary for the hot, charged state of matter composed of free electrons and atomic nuclei, called the plasma. This LEAPS-MPS award supports theoretical and computational efforts that aim to facilitate human-engineered fusion through the design of plasma-facing structural materials with superior plasma-surface interactions. The PI and his team will formulate a novel multi-physics framework to unravel surface effects on structural PFMs, predicting their behavior when exposed to the hydrogen and helium plasma-surface interactions expected in fusion power plants. Specifically, it will advance the state of knowledge regarding (i) the local chemical order and segregation of tungsten-based PFMs both in pristine form and in the presence of defects, and (ii) the prediction of the surface-structure-property relationships in these materials.In addition to the research efforts, this award also supports a broadening participation plan which is aimed at increasing racial, gender, and socioeconomic diversity in Science, Technology, Engineering, and Mathematics (STEM) careers by integrating fundamental materials research into programs of particular interest to young learners: sailing for its excitement as an often inaccessible, costly hobby, and game programming for its familiarity and draw within youth culture. These broadening participation platforms are especially conducive to sparking students’ interest in Materials Science and High-Performance Computing at the elementary, middle, high school, and college levels. Additionally, students’ interests will be nurtured and sustained through the collaboration with the Society of Hispanic Professional Engineers and a follow-up virtual mentoring platform to help them choose future courses and opportunities as they build their paths toward careers in these STEM fields.TECHNICAL SUMMARYThis LEAPS-MPS award supports theoretical and computational efforts that aim to facilitate human-engineered fusion through the design of plasma-facing structural materials with superior plasma-surface interactions. Through this project, the PI proposes to unravel the H and He surface effects on candidate tungsten-based plasma-facing materials (PFMs) through accurate and computationally efficient first-principles DFT electronic structure calculations. The proposed research strategy for accomplishing this objective include: (i) the construction of atomistic structures (both in bulk and in the vicinity of defects) with energetically-stable arrangements of chemical elements; (ii) the assessment of the H and He surface-interaction parameters with the candidate PFMs; and (iii) the prediction of the surface-structure-property relationships in these materials.In addition to the research efforts, this award also supports a broadening participation plan which is aimed at increasing racial, gender, and socioeconomic diversity in STEM careers by integrating fundamental materials research into programs of particular interest to young learners: sailing for its excitement as an often inaccessible, costly hobby, and game programming for its familiarity and draw within youth culture. These broadening participation platforms are especially conducive to sparking students’ interest in Materials Science and High-Performance Computing at the elementary, middle, high school, and college levels. Additionally, students’ interests will be nurtured and sustained through the collaboration with the Society of Hispanic Professional Engineers and a follow-up virtual mentoring platform to help them choose future courses and opportunities as they build their paths toward careers in these STEM fields.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
该奖项全部由《2021年美国救援计划法案》(公法117-2)资助。核聚变,即为太阳提供能量的核反应,是能量密度最高的能源之一。然而,人们对等离子体表面材料(PFMs)缺乏了解,PFMs位于聚变反应堆容器的一个关键区域,该区域为由自由电子和原子核组成的物质的热带电状态提供物理边界,称为等离子体。该leap - mps奖支持理论和计算方面的努力,旨在通过设计具有优越等离子体表面相互作用的等离子体面向结构材料,促进人类工程融合。PI和他的团队将制定一个新的多物理场框架来揭示结构pfm的表面效应,预测它们在暴露于聚变发电厂预期的氢和氦等离子体表面相互作用时的行为。具体而言,它将推进以下方面的知识状态:(i)原始形式和存在缺陷的钨基pfm的局部化学顺序和偏析,以及(ii)预测这些材料的表面-结构-性能关系。除了研究工作之外,该奖项还支持一个扩大参与计划,旨在通过将基础材料研究整合到年轻学习者特别感兴趣的项目中,从而增加科学、技术、工程和数学(STEM)职业中的种族、性别和社会经济多样性:帆船运动是一项令人兴奋的、通常难以接近的、昂贵的爱好,而游戏编程则是一项熟悉并吸引年轻人的文化。这些不断扩大的参与平台尤其有助于激发学生在小学、初中、高中和大学阶段对材料科学和高性能计算的兴趣。此外,学生的兴趣将通过与西班牙裔专业工程师协会的合作和后续的虚拟指导平台来培养和维持,以帮助他们选择未来的课程和机会,因为他们在这些STEM领域建立自己的职业道路。该leap - mps奖支持理论和计算方面的努力,旨在通过设计具有优越等离子体表面相互作用的面向等离子体的结构材料来促进人类工程融合。通过该项目,PI提出通过精确且计算效率高的第一性原理DFT电子结构计算来揭示候选钨基等离子体表面材料(PFMs)的H和He表面效应。为实现这一目标,提出的研究策略包括:(i)构建具有化学元素能量稳定排列的原子结构(包括体积和缺陷附近);(ii)与候选PFMs的H和He表面相互作用参数的评估;(三)预测这些材料的表面-结构-性能关系。除了研究工作之外,该奖项还支持一个扩大参与计划,旨在通过将基础材料研究整合到年轻学习者特别感兴趣的项目中,从而增加STEM职业中的种族、性别和社会经济多样性:帆船运动是一项令人兴奋的、通常难以接近的、昂贵的爱好,而游戏编程则是一项熟悉并吸引年轻人的文化。这些不断扩大的参与平台尤其有助于激发学生在小学、初中、高中和大学阶段对材料科学和高性能计算的兴趣。此外,学生的兴趣将通过与西班牙裔专业工程师协会的合作和后续的虚拟指导平台来培养和维持,以帮助他们选择未来的课程和机会,因为他们在这些STEM领域建立自己的职业道路。该奖项反映了美国国家科学基金会的法定使命,并通过使用基金会的知识价值和更广泛的影响审查标准进行评估,被认为值得支持。

项目成果

期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)

数据更新时间:{{ journalArticles.updateTime }}

{{ item.title }}
{{ item.translation_title }}
  • DOI:
    {{ item.doi }}
  • 发表时间:
    {{ item.publish_year }}
  • 期刊:
  • 影响因子:
    {{ item.factor }}
  • 作者:
    {{ item.authors }}
  • 通讯作者:
    {{ item.author }}

数据更新时间:{{ journalArticles.updateTime }}

{{ item.title }}
  • 作者:
    {{ item.author }}

数据更新时间:{{ monograph.updateTime }}

{{ item.title }}
  • 作者:
    {{ item.author }}

数据更新时间:{{ sciAawards.updateTime }}

{{ item.title }}
  • 作者:
    {{ item.author }}

数据更新时间:{{ conferencePapers.updateTime }}

{{ item.title }}
  • 作者:
    {{ item.author }}

数据更新时间:{{ patent.updateTime }}

David Cereceda其他文献

Accelerating the discovery of low-energy structure configurations: A computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning
加速低能量结构构型的发现:一种整合第一性原理计算、蒙特卡洛采样和机器学习的计算方法
  • DOI:
    10.1016/j.scriptamat.2024.116535
  • 发表时间:
    2025-04-01
  • 期刊:
  • 影响因子:
    5.600
  • 作者:
    Md Rajib Khan Musa;Yichen Qian;Jie Peng;David Cereceda
  • 通讯作者:
    David Cereceda

David Cereceda的其他文献

{{ item.title }}
{{ item.translation_title }}
  • DOI:
    {{ item.doi }}
  • 发表时间:
    {{ item.publish_year }}
  • 期刊:
  • 影响因子:
    {{ item.factor }}
  • 作者:
    {{ item.authors }}
  • 通讯作者:
    {{ item.author }}

相似国自然基金

时序释放Met/Qct-MPs葡萄糖响应型水凝胶对糖尿病创面微环境调节机制的研究
  • 批准号:
  • 批准年份:
    2025
  • 资助金额:
    0.0 万元
  • 项目类别:
    省市级项目
脓毒症血浆中微粒(MPs)对免疫细胞的作用机制 及其免疫抑制的机制研究
  • 批准号:
  • 批准年份:
    2025
  • 资助金额:
    0.0 万元
  • 项目类别:
    省市级项目
中性粒细胞释放CitH3+MPs活化NLRP3炎性小体激活胆汁淤积性肝病肝内凝血活性
  • 批准号:
  • 批准年份:
    2025
  • 资助金额:
    0.0 万元
  • 项目类别:
    省市级项目
基于代谢组学的滋水清肝饮干预乳腺癌内分泌治疗相关MPS的多中心临床研究
  • 批准号:
  • 批准年份:
    2024
  • 资助金额:
    0.0 万元
  • 项目类别:
    省市级项目
六价铬和PET-MPs联合暴露诱导大鼠神经毒性铁死亡的机制研究
  • 批准号:
    2024Y9704
  • 批准年份:
    2024
  • 资助金额:
    10.0 万元
  • 项目类别:
    省市级项目
基于 MPS 方法的燃料熔盐高温氧化与凝固迁徙行为机理研究
  • 批准号:
    24ZR1478500
  • 批准年份:
    2024
  • 资助金额:
    0.0 万元
  • 项目类别:
    省市级项目
Mps1磷酸化RPA2增强ATR介导的DNA损伤修复促进高级别浆液性卵巢癌PARP抑制剂耐药的机制研究
  • 批准号:
    82303896
  • 批准年份:
    2023
  • 资助金额:
    30 万元
  • 项目类别:
    青年科学基金项目
融合MPS与GAN的复杂地质结构三维重建方法研究
  • 批准号:
    42372341
  • 批准年份:
    2023
  • 资助金额:
    53 万元
  • 项目类别:
    面上项目
PS-MPs环境暴露干扰甲状腺—棕色脂肪对话引发糖脂代谢紊乱的作用及机制研究
  • 批准号:
    82370847
  • 批准年份:
    2023
  • 资助金额:
    49 万元
  • 项目类别:
    面上项目
HIF-1α介导SOX17抑制纺锤体装配检查点相关基因Mps1调控滋养细胞功能的机制研究
  • 批准号:
    82101760
  • 批准年份:
    2021
  • 资助金额:
    30 万元
  • 项目类别:
    青年科学基金项目

相似海外基金

Postdoctoral Fellowship: MPS-Ascend: Topological Enrichments in Enumerative Geometry
博士后奖学金:MPS-Ascend:枚举几何中的拓扑丰富
  • 批准号:
    2402099
  • 财政年份:
    2024
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Fellowship Award
生理機能を再現するオルガノイド融合型MPSデバイスの開発
开发再现生理功能的类器官融合 MPS 装置
  • 批准号:
    23K26472
  • 财政年份:
    2024
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Grant-in-Aid for Scientific Research (B)
ヒト脳関門の統合評価システムBrain-MPSの構築
人脑屏障综合评价系统Brain-MPS的构建
  • 批准号:
    24K18340
  • 财政年份:
    2024
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Grant-in-Aid for Early-Career Scientists
LEAPS-MPS: Network Statistics of Rupturing Foams
LEAPS-MPS:破裂泡沫的网络统计
  • 批准号:
    2316289
  • 财政年份:
    2024
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Standard Grant
LEAPS-MPS: Light Tunable Redox-Active Hybrid Nanomaterial with Ultrahigh Catalytic Activity for Colorimetric Applications
LEAPS-MPS:具有超高催化活性的光可调氧化还原活性混合纳米材料,适用于比色应用
  • 批准号:
    2316793
  • 财政年份:
    2024
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Standard Grant
LEAPS-MPS: Fast and Efficient Novel Algorithms for MHD Flow Ensembles
LEAPS-MPS:适用于 MHD 流系综的快速高效的新颖算法
  • 批准号:
    2425308
  • 财政年份:
    2024
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Standard Grant
LEAPS-MPS: Applications of Algebraic and Topological Methods in Graph Theory Throughout the Sciences
LEAPS-MPS:代数和拓扑方法在图论中在整个科学领域的应用
  • 批准号:
    2313262
  • 财政年份:
    2023
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Standard Grant
Postdoctoral Fellowship: MPS-Ascend: Quantifying Accelerated Reaction Kinetics in Microdroplets with pH-Jump and Mass Spectrometry: From Small Molecules to Proteins and Beyond
博士后奖学金:MPS-Ascend:利用 pH 跳跃和质谱定量微滴中的加速反应动力学:从小分子到蛋白质及其他
  • 批准号:
    2316167
  • 财政年份:
    2023
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Fellowship Award
Postdoctoral Fellowship: MPS-Ascend: Understanding Fukaya categories through Homological Mirror Symmetry
博士后奖学金:MPS-Ascend:通过同调镜像对称理解深谷范畴
  • 批准号:
    2316538
  • 财政年份:
    2023
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Fellowship Award
LEAPS-MPS: Cooperative Transformations of N-Heterocycles with Heterometallic Complexes
LEAPS-MPS:N-杂环与异金属配合物的协同转化
  • 批准号:
    2316582
  • 财政年份:
    2023
  • 资助金额:
    $ 24.95万
  • 项目类别:
    Standard Grant
{{ showInfoDetail.title }}

作者:{{ showInfoDetail.author }}

知道了