Fundamental In Situ Nano-Oxidation Mechanisms of Metals and Metallic Alloys
金属和金属合金的基本原位纳米氧化机制
基本信息
- 批准号:0706171
- 负责人:
- 金额:--
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2007
- 资助国家:美国
- 起止时间:2007-09-01 至 2011-08-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
TECHNICAL: Surface oxidation processes play critical roles in environmental stability, high temperature corrosion, electrochemistry, catalytic reactions, gate oxides and thin film growth as well as fuel reactions. At present, however, the nanoscale stages of oxidation - from the nucleation of the metal oxide to the formation of the thermodynamically stable oxide - represent a scientifically challenging and technologically important terra incognito. The objective is to fundamentally understand nanoscale oxidation processes by coordinated experimental (in situ UHV-TEM) and theoretical efforts, where the impact is potentially a new paradigm for oxidation. To meet this objective, directly correlated experimental and theoretical investigations of the initial stages of Cu and Cu alloy (Cu-Au and Cu-Ni) oxidation will be performed. The in-situ experiments of the initial stages of Cu have been performed by PI in the past. The extension to Cu alloy oxidation will be conducted in an in situ UHV-TEM at various temperatures, pressures and oxidizing atmospheres in Yang's laboratory where a unique in--situ UHV TEM exists. To bridge the temporal gap between simulations and experiments, a newly developed dynamic TEM (DTEM) with nanoseconds time resolution, will be used as well at Lawrence Livermore National Lab (LLNL). Determination of the Cu/Cu2O interface structure formed by in-situ oxidation by cross-sectional TEM and scanning TEM (STEM) methods, including high-resolution electron microscopy (HREM), Z-contrast imaging, tomography and electron energy loss spectroscopy (EELS) and the comparison with theoretical simulations will provide critical insights into the oxidation transformation mechanisms. The sample preparation and TEM/STEM studies will be conducted in the new Peterson Institute of NanoScience and Engineering (PINSE) at Univ. of Pittsburgh (UPitt). The in-situ and ex-situ experimental TEM results will be directly correlated to theoretical models, where a first-principles kinetic Monte Carlo, called Thin Film Oxidation (TFOx) is being developed. TFOx is a C++ code that presently simulates 2D nucleation and growth, and will be developed to simulate 3D island formation where computer clusters at CMU and UF and the supercomputer facility at UPitt will be utilized for significantly enhanced simulation speed. The direct comparison between these simulations and in-situ experiments will lead to new knowledge. NON-TECHNICAL: The combined experimental with theoretical partnership between UPitt, LLNL,UF and CMU will significantly enrich and broaden the education of all of the graduate and undergraduate students involved in this program. Yang has a strong track record in advising women students. Dissemination of results will include a web-site: www.tfox.org. Yang will integrate her research program in thin films, gas surface reactions and electron microscopy into several of the Mechanical Engineering and Materials Science department (MEMS) undergraduate and graduate-level courses, such as undergraduate crystallography/diffraction laboratory and graduate nano-courses, such as thin films, nanocharacterization and electron microscopy as well as nanomaterials, at UPitt.
技术支持:表面氧化过程在环境稳定性、高温腐蚀、电化学、催化反应、栅氧化物和薄膜生长以及燃料反应中起着关键作用。然而,目前,氧化的纳米级阶段-从金属氧化物的成核到化学稳定的氧化物的形成-代表了科学上具有挑战性和技术上重要的领域。我们的目标是从根本上了解纳米氧化过程的协调实验(原位UHV-TEM)和理论的努力,其中的影响是潜在的氧化的新范式。为了实现这一目标,直接相关的实验和理论研究的初始阶段的铜和铜合金(Cu-Au和Cu-Ni)的氧化将进行。铜的初始阶段的原位实验已经由PI在过去进行。扩展到铜合金的氧化将在杨的实验室中,在不同的温度,压力和氧化气氛中进行原位UHV-TEM,其中一个独特的原位UHV TEM存在。为了弥合模拟和实验之间的时间差距,劳伦斯利弗莫尔国家实验室(LLNL)也将使用新开发的具有纳秒时间分辨率的动态TEM(DTEM)。通过横截面TEM和扫描TEM(STEM)方法,包括高分辨率电子显微镜(HREM),Z衬度成像,断层扫描和电子能量损失谱(EELS)和与理论模拟的比较,确定原位氧化形成的Cu/Cu 2 O界面结构将提供关键的见解的氧化转化机制。样品制备和TEM/STEM研究将在匹兹堡大学(UPitt)新的彼得森纳米科学与工程研究所(PINSE)进行。原位和非原位实验TEM结果将直接与理论模型相关,其中第一原理动力学蒙特卡罗,称为薄膜氧化(TFOx)正在开发中。TFOx是目前模拟2D成核和生长的C++代码,并将开发用于模拟3D岛的形成,其中CMU和UF的计算机集群以及UPitt的超级计算机设施将用于显着提高模拟速度。这些模拟和现场实验之间的直接比较将导致新的知识。非技术性:UPitt,LLNL,UF和CMU之间的实验与理论合作将显着丰富和拓宽所有参与该计划的研究生和本科生的教育。杨在指导女学生方面有着良好的记录。结果的传播将包括一个网站:www.tfox. org. Yang将把她在薄膜,气体表面反应和电子显微镜方面的研究项目整合到机械工程和材料科学系(MEMS)的几门本科和研究生课程中,如本科晶体学/衍射实验室和研究生纳米课程,如薄膜,纳米表征和电子显微镜以及纳米材料。
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)
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Judith Yang其他文献
Secondary-electron imaging of bulk crystalline specimens in an aberration corrected STEM
- DOI:
10.1016/j.ultramic.2024.113967 - 发表时间:
2024-07-01 - 期刊:
- 影响因子:
- 作者:
Sooyeon Hwang;Lijun Wu;Kim Kisslinger;Judith Yang;Ray Egerton;Yimei Zhu - 通讯作者:
Yimei Zhu
Judith Yang的其他文献
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{{ truncateString('Judith Yang', 18)}}的其他基金
Intergovernmental Mobility Aaasignment
政府间流动分配
- 批准号:
1947540 - 财政年份:2019
- 资助金额:
-- - 项目类别:
Intergovernmental Personnel Award
Collaborative Research: CDS&E: Experimentally verified nano-oxidation simulations of Cu surfaces
合作研究:CDS
- 批准号:
1410055 - 财政年份:2014
- 资助金额:
-- - 项目类别:
Continuing Grant
Synthesis, Characterization and Chemistry of Model Gamma Alumina Heterogeneous Catalysts
模型γ氧化铝多相催化剂的合成、表征和化学
- 批准号:
1300544 - 财政年份:2013
- 资助金额:
-- - 项目类别:
Standard Grant
Collaborative Research: In situ Characterization of Methanol Oxidation Catalyzed by Copper-Based Materials
合作研究:铜基材料催化甲醇氧化的原位表征
- 批准号:
1264637 - 财政年份:2013
- 资助金额:
-- - 项目类别:
Standard Grant
MRI: Acquisition of an Environmental Transmission Electron Microscope for Research and Education in Materials Chemistry
MRI:购买环境透射电子显微镜用于材料化学的研究和教育
- 批准号:
1337731 - 财政年份:2013
- 资助金额:
-- - 项目类别:
Standard Grant
Silicon Carbide Nanocone and Heterostructure Formations Catalyzed by the Release of Carbon-Encapsulated Metal Nanoparticles
碳包覆金属纳米颗粒释放催化的碳化硅纳米锥和异质结构形成
- 批准号:
0804892 - 财政年份:2008
- 资助金额:
-- - 项目类别:
Continuing Grant
NER: Coordinated Multi-scale Simulations and In situ Electron Microscopy to Elucidate the Mechanics of Nanowire Formations
NER:协调多尺度模拟和原位电子显微镜来阐明纳米线形成的力学
- 批准号:
0508238 - 财政年份:2005
- 资助金额:
-- - 项目类别:
Standard Grant
CAREER: The Coordinated Theory and Experiments of the Fundamental Metal Oxidation Kinetics As Visualized By In Situ UHV_TEM
职业:原位 UHV_TEM 可视化的基本金属氧化动力学的协调理论和实验
- 批准号:
0134719 - 财政年份:2002
- 资助金额:
-- - 项目类别:
Continuing Grant
International Postdoctoral Fellows Program: The Study of Metal-Ceramic Interfaces by Electron Energy Loss Spectroscopy
国际博士后项目:电子能量损失谱研究金属陶瓷界面
- 批准号:
9301705 - 财政年份:1993
- 资助金额:
-- - 项目类别:
Standard Grant
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