Collaborative Research: Determination of Ni-Fe-Cr Species Dependent Transport Through Control of Temperature, Irradiation, and Grain Size

合作研究:通过控制温度、辐照度和晶粒尺寸来测定 Ni-Fe-Cr 物种依赖性传输

基本信息

  • 批准号:
    1105640
  • 负责人:
  • 金额:
    $ 37万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Continuing Grant
  • 财政年份:
    2011
  • 资助国家:
    美国
  • 起止时间:
    2011-09-01 至 2015-08-31
  • 项目状态:
    已结题

项目摘要

TECHNICAL SUMMARY: Ni-Fe-Cr based fcc alloys (e.g., Ni-based and austenitic steel alloys) are frequently used as structural materials in a wide range of technologies, including nuclear reactors. Many aspects of Ni-Fe-Cr alloy microstructural evolution, particularly under irradiation, are controlled by point defect transport with species dependencies that are still poorly understood. In this project a novel approach to determine the species-dependent diffusion coefficients in Ni-Fe-Cr steel alloys is proposed. It is based on measurements and modeling of Radiation Induced Segregation (RIS) of nanocrystalline materials. The proposed work integrates multiple approaches to understanding point defect transport in Ni-Fe-Cr and to RIS, including grain size control, RIS characterization tools (STEM-EDS, Focused Ion Beam, TEM, and Atom Probe tomography), and multiscale ab initio based models (including cluster expansion, kinetic Monte Carlo and rate theory modeling). The work will provide a new level of insight into the magnitude and mechanisms of Ni-Fe-Cr species-dependent transport and inform future microstructural modeling.NON-TECHNICAL SUMMARY: Ni-Fe-Cr based steels are frequently used as structural materials in a wide range of technologies, including nuclear reactors. Essential aspects of the long-term reliability of these steels, particularly under irradiation, are controlled by aspects of Ni, Fe, and Cr diffusion that are still poorly understood. The PIs propose to integrate tools from materials nanotechnology and molecular-scale computer simulation to provide new levels of insight into how Ni, Fe, and Cr are transported in these steels under extreme conditions. The results will be integrated into higher levels models that aid in the prediction of steel reliability and the development of new materials. This project will train graduate students and postdoctoral researchers to work on a multi-location team and in fundamental areas of materials characterization, modeling, and their interaction. This work will also further the involvement by some of the investigators in the Women in Nuclear Science (WINS) organization and activities at the Advanced Test Reactor National Scientific User Facility (NSUF).
Ni-Fe-Cr基fcc合金(例如,镍基和奥氏体钢合金)经常用作各种技术(包括核反应堆)中的结构材料。Ni-Fe-Cr合金微观结构演变的许多方面,特别是在辐照下,是由点缺陷传输与物种的依赖性,仍然知之甚少。在这个项目中,提出了一种新的方法来确定物种依赖的扩散系数在Ni-Fe-Cr钢合金。它是基于纳米晶材料的辐射诱导偏析(RIS)的测量和建模。拟议的工作集成了多种方法来理解Ni-Fe-Cr和RIS中的点缺陷传输,包括晶粒尺寸控制,RIS表征工具(STEM-EDS,聚焦离子束,TEM和原子探针断层扫描),以及基于多尺度从头算的模型(包括簇扩展,动力学Monte Carlo和速率理论建模)。这项工作将提供一个新的水平的洞察力的大小和机制的Ni-Fe-Cr物种依赖的运输和通知未来的微观结构modeling.NON-TECHNICAL摘要:Ni-Fe-Cr基钢经常被用作结构材料在广泛的技术,包括核反应堆。这些钢的长期可靠性的基本方面,特别是在辐照下,由Ni,Fe和Cr扩散方面控制,这些方面仍然知之甚少。 PI建议将材料纳米技术和分子尺度计算机模拟的工具整合在一起,以提供对镍,铁和铬在极端条件下如何在这些钢中运输的新见解。结果将被集成到更高级别的模型中,以帮助预测钢材的可靠性和新材料的开发。 该项目将培养研究生和博士后研究人员在多地点团队中工作,并在材料表征,建模及其相互作用的基本领域。这项工作还将促进一些调查人员参与核科学妇女组织和国家先进试验反应堆科学用户设施的活动。

项目成果

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Dane Morgan其他文献

Predicting performance of object detection models in electron microscopy using random forests
使用随机森林预测电子显微镜中物体检测模型的性能
  • DOI:
    10.1039/d4dd00351a
  • 发表时间:
    2025-01-31
  • 期刊:
  • 影响因子:
    5.600
  • 作者:
    Ni Li;Ryan Jacobs;Matthew Lynch;Vidit Agrawal;Kevin Field;Dane Morgan
  • 通讯作者:
    Dane Morgan
Best practices for fitting machine learning interatomic potentials for molten salts: A case study using NaCl-MgCl<sub>2</sub>
  • DOI:
    10.1016/j.commatsci.2024.113409
  • 发表时间:
    2025-01-01
  • 期刊:
  • 影响因子:
  • 作者:
    Siamak Attarian;Chen Shen;Dane Morgan;Izabela Szlufarska
  • 通讯作者:
    Izabela Szlufarska
A practical guide to machine learning interatomic potentials – Status and future
机器学习原子间势的实用指南——现状与未来
  • DOI:
    10.1016/j.cossms.2025.101214
  • 发表时间:
    2025-03-01
  • 期刊:
  • 影响因子:
    13.400
  • 作者:
    Ryan Jacobs;Dane Morgan;Siamak Attarian;Jun Meng;Chen Shen;Zhenghao Wu;Clare Yijia Xie;Julia H. Yang;Nongnuch Artrith;Ben Blaiszik;Gerbrand Ceder;Kamal Choudhary;Gabor Csanyi;Ekin Dogus Cubuk;Bowen Deng;Ralf Drautz;Xiang Fu;Jonathan Godwin;Vasant Honavar;Olexandr Isayev;Brandon M. Wood
  • 通讯作者:
    Brandon M. Wood
Tradipitant effective in the reduction of vomiting associated with motion sickness across varied sea conditions
  • DOI:
    10.1016/j.jns.2023.121099
  • 发表时间:
    2023-12-01
  • 期刊:
  • 影响因子:
  • 作者:
    Vasilios Polymeropoulos;Margaret Bushman;Dane Morgan;Leah Kiely;Cameron Miller;Elizabeth Sutherland;Abigail Goldberg;Tanner Davis;Raina Mourad;Nikolas Pham;Changfu Xiao;Christos Polymeropoulos;Gunther Birznieks;Mihael Polymeropoulos
  • 通讯作者:
    Mihael Polymeropoulos
How close are the classical two-body potentials to ab initio calculations? Insights from linear machine learning based force matching.
基于线性机器学习的力匹配的见解与经典的二体势有多接近?
  • DOI:
  • 发表时间:
    2023
  • 期刊:
  • 影响因子:
    4.4
  • 作者:
    Zheng Yu;Ajay Annamareddy;Dane Morgan;Bu Wang
  • 通讯作者:
    Bu Wang

Dane Morgan的其他文献

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{{ truncateString('Dane Morgan', 18)}}的其他基金

Collaborative Research: CyberTraining: Implementation: Medium: The Informatics Skunkworks Program for Undergraduate Research at the Interface of Data Science and Materials Science
合作研究:网络培训:实施:媒介:数据科学和材料科学接口本科生研究信息学 Skunkworks 计划
  • 批准号:
    2017072
  • 财政年份:
    2020
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
Collaborative Research: Framework: Machine Learning Materials Innovation Infrastructure
合作研究:框架:机器学习材料创新基础设施
  • 批准号:
    1931298
  • 财政年份:
    2019
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
DMREF: High Throughput Design of Metallic Glasses with Physically Motivated Descriptors
DMREF:具有物理激励描述符的金属玻璃的高通量设计
  • 批准号:
    1728933
  • 财政年份:
    2017
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
BD Spokes: SPOKE: MIDWEST: Collaborative: Integrative Materials Design (IMaD): Leverage, Innovate, and Disseminate
BD 辐条:辐条:中西部:协作:集成材料设计 (IMaD):利用、创新和传播
  • 批准号:
    1636910
  • 财政年份:
    2017
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
Collaborative Research: Helium Diffusion in Lower Mantle Minerals
合作研究:下地幔矿物中的氦扩散
  • 批准号:
    1265283
  • 财政年份:
    2013
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
SI2-SSI: Collaborative Research: A Computational Materials Data and Design Environment
SI2-SSI:协作研究:计算材料数据和设计环境
  • 批准号:
    1148011
  • 财政年份:
    2012
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
CSEDI Collaborative Research: Valence state of iron in the lower mantle
CSEDI合作研究:下地幔铁的价态
  • 批准号:
    0966899
  • 财政年份:
    2010
  • 资助金额:
    $ 37万
  • 项目类别:
    Continuing Grant
Collaborative Research: Theoretical and Experimental Investigations on the Role of Iron in the Physics and Chemistry of the Lower Mantle
合作研究:铁在下地幔物理和化学中的作用的理论和实验研究
  • 批准号:
    0738886
  • 财政年份:
    2008
  • 资助金额:
    $ 37万
  • 项目类别:
    Standard Grant
CRC: Collaborative Research: Structure-Sorption Relationships In Disordered Iron-oxyhydroxides
CRC:合作研究:无序羟基氧化铁的结构-吸附关系
  • 批准号:
    0714113
  • 财政年份:
    2007
  • 资助金额:
    $ 37万
  • 项目类别:
    Continuing Grant

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