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Surface chemistry models for low temperature Si epitaxy process simulation in a single-wafer reactor 用于单晶片反应器中低温硅外延过程模拟的表面化学模型
IF 2.9 3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-01-29 DOI: 10.1116/6.0003340
Linda Jäckel, Andreas Zienert, Annekathrin Zeun, Anna-Sophie Seidel, Jörg Schuster
We investigate Si epitaxy using 3D reactor scale computational fluid dynamics simulations coupled with surface chemistry models for the growth of pure silicon and phosphorus-doped silicon (Si:P) films. We focus on low temperature Si and Si:P processes using dichlorosilane (DCS) and phosphine. Based on existing DCS-based Si chemistry models for higher process temperatures, we developed a new kinetic chemistry model for low temperature Si epitaxy. To include doping, we developed an additional empirical model for Si:P epitaxy as there is not sufficient qualitative data on phosphine chemistry available for a kinetic chemistry model. This work provides Si and Si:P surface chemistry models, which allow reactor scale process simulations to get valuable process insights, enabling rational process optimization and supporting process transfer. Process optimization is demonstrated through process parameter variation with the main goal being the reduction of Si process variability by increasing within-wafer growth rate homogeneity.
我们利用三维反应器规模的计算流体动力学模拟,结合纯硅和掺磷硅(Si:P)薄膜生长的表面化学模型,对硅外延进行了研究。我们重点研究了使用二氯硅烷(DCS)和磷化氢的低温硅和 Si:P 过程。基于现有的适用于较高工艺温度的基于二氯硅烷的硅化学模型,我们为低温硅外延开发了一种新的动力学化学模型。由于没有足够的膦化学定性数据可用于动力学化学模型,为了将掺杂包括在内,我们为 Si:P 外延开发了一个额外的经验模型。这项工作提供了硅和硅:磷表面化学模型,可通过反应器规模的工艺模拟获得有价值的工艺见解,从而实现合理的工艺优化并支持工艺转移。工艺优化是通过工艺参数的变化来实现的,其主要目标是通过提高晶片内生长率的均匀性来减少硅工艺的可变性。
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引用次数: 0
Dynamics of plasma atomic layer etching: Molecular dynamics simulations and optical emission spectroscopy 等离子体原子层刻蚀动力学:分子动力学模拟和光学发射光谱
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-13 DOI: 10.1116/6.0003011
Joseph R. Vella, Qinzhen Hao, Vincent M. Donnelly, David B. Graves
Atomic layer etching is intrinsically dynamic as it involves sequential and repeated exposures of a surface to be etched with different species at different energies. The composition and structure of the near surface region change in both time and depth. Full understanding of this process requires resolving both temporal and spatial variations. In this work, we consider silicon (Si) atomic layer etching (ALE) by alternating exposure to chlorine gas (Cl2) and argon ions (Ar+). Molecular dynamics (MD) simulations are compared to experimental measurements with the aim of better understanding the dynamics of ALE and to test the simulation procedure. The simulations help to more fully interpret the experimental measurements. Optical emission measured just above the surface being etched can be related to etch products and can, therefore, be directly compared to simulation predictions. The simulations capture the measured initial product distribution leaving the surface and match the measured etch per cycle reasonably well. While simulations demonstrate the importance of ion-induced surface damage and mixing into a layer below the surface, the depth of which depends mainly on ion energy, the experiments suggest there is more Cl mixed into the layer than the MD procedure predicts.
原子层蚀刻本质上是动态的,因为它涉及到用不同物质在不同能量下蚀刻表面的连续和重复曝光。近地表区域的组成和结构随时间和深度的变化而变化。要充分理解这一过程,就需要同时解决时间和空间变化问题。在这项工作中,我们考虑交替暴露于氯气(Cl2)和氩离子(Ar+)下的硅(Si)原子层蚀刻(ALE)。将分子动力学(MD)模拟与实验测量进行比较,目的是更好地理解ALE的动力学并测试模拟程序。模拟有助于更全面地解释实验测量结果。在被蚀刻表面上方测量的光学发射可以与蚀刻产物相关,因此可以直接与模拟预测进行比较。模拟捕获了测量的初始产品分布离开表面,并相当好地匹配每个周期的测量蚀刻。虽然模拟证明了离子引起的表面损伤和混合到表面以下层的重要性,其深度主要取决于离子能量,但实验表明,混合到层中的Cl比MD程序预测的要多。
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引用次数: 0
Significance of plasma-surface interactions in the etch behavior of low-k materials 等离子体表面相互作用在低k材料蚀刻行为中的意义
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-13 DOI: 10.1116/6.0003014
Adam Pranda, Steven Grzeskowiak, Yu- Hao Tsai, Yusuke Yoshida, Eric Liu, Yun Han, Peter Biolsi, Ken Kobayashi, Nobuyuki Ikezawa
Low-k materials are an integral component in the advancement of semiconductor device performance by reducing parasitic capacitance and enabling faster device switching for a given thickness compared to traditional dielectric materials such as SiO2. With the advances in logic scaling, low-k materials are increasingly more prominent in the structures of advanced devices. For example, low-k materials are essential as the spacer material to provide both etch selectivity between dielectric materials and electrical isolation in field effect transistors. Consequently, the integration of low-k materials requires that the etch behavior of these materials be well understood so that the device structures can be reliably and reproducibly fabricated. In this study, the authors used a high-density plasma reactor with benchmark CF4- and NF3-based process chemistries to etch low-k materials including SiCN, SiOCN, and SiBCN in addition to Si, SiO2, and SiN reference materials. Numerous characterization techniques were utilized to understand the relationships between the plasma conditions, the evolution of the surface chemistry of the materials, and the resulting etch behavior. These techniques consisted of optical emission spectroscopy, spectroscopic ellipsometry, x-ray photoelectron spectroscopy, and attenuated total reflection Fourier transform infrared spectroscopy. The etch behavior of low-k materials under a given etch process is vital for establishing the etch selectivities in multilayer structures that are required to yield complex device geometries. For example, a directly proportional correlation was observed between the etch rate and intrinsic nitrogen concentration of the low-k materials. Potential mechanisms for the observed etch behaviors were explored using modeling and found that the intrinsic nitrogen composition in the low-k materials can result in energetically favorable reactions that result in the weakening and volatilization of the Si–N bond. Identifying the underlying mechanisms for the etch behaviors of low-k materials will provide key guidance into the development of etch processes that integrate these materials in current and future device structures.
与传统的介电材料(如SiO2)相比,低k材料通过减少寄生电容和在给定厚度下实现更快的器件切换,是半导体器件性能进步中不可或缺的组成部分。随着逻辑标度技术的进步,低k材料在先进器件结构中的作用越来越突出。例如,在场效应晶体管中,低k材料是必不可少的间隔材料,可以提供介电材料之间的蚀刻选择性和电隔离。因此,低k材料的集成需要很好地理解这些材料的蚀刻行为,以便可以可靠地和可重复地制造器件结构。在这项研究中,作者使用了一个高密度等离子体反应器,具有基准的基于CF4和nf3的工艺化学物质,除了Si, SiO2和SiN参考材料外,还蚀刻了低k材料,包括SiCN, SiOCN和SiBCN。许多表征技术被用来了解等离子体条件、材料表面化学的演变以及由此产生的蚀刻行为之间的关系。这些技术包括发射光谱、椭偏光谱、x射线光电子能谱和衰减全反射傅立叶变换红外光谱。在给定的蚀刻工艺下,低k材料的蚀刻行为对于建立多层结构的蚀刻选择性至关重要,而多层结构需要产生复杂的器件几何形状。例如,低k材料的腐蚀速率与本征氮浓度成正比关系。利用模型研究了所观察到的蚀刻行为的潜在机制,并发现低k材料中的固有氮组成可以导致能量有利的反应,从而导致Si-N键的减弱和挥发。确定低k材料蚀刻行为的潜在机制将为将这些材料集成到当前和未来器件结构中的蚀刻工艺的发展提供关键指导。
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引用次数: 0
Chemical vapor deposition of amorphous boron carbide coatings from mixtures of trimethylboron and triethylboron 用三甲基硼和三乙基硼的混合物化学气相沉积非晶态碳化硼涂层
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-13 DOI: 10.1116/6.0003001
Laurent Souqui, Hans Högberg, Henrik Pedersen
Amorphous BxC films were deposited from the coreaction of triethylboron (TEB) and trimethylboron (TMB) at 700 °C in H2. We observed that combining both precursors allows us to balance their deposition kinetics and yields higher growth rates. Quantitative analysis by x-ray photoelectron spectroscopy shows that a wide range of B/C ratios between 0.7 and 4.1 could be obtained by varying the TEB:TMB ratio. Raman spectroscopy was used to assess the bonding in the films that gradually evolved from a structure similar to that of a-B, to a mixture of half-icosahedra embedded in a carbon matrix to a graphitic structure, as the carbon content increased. The addition of TMB in the gas phase was found to result in a decrease in elasticity and hardness but an improved adhesion, resulting in complex crack patterns upon cleaving, such as sinusoidal cracks and loops. On the one hand, the incorporation of carbon from TMB leads to an increasing contribution of the softer carbon matrix, to the detriment of polyhedral B–C structures, which in turn decreases Young’s modulus and hardness. On the other hand, it suggests that near the film-substrate interface, the presence of the carbon matrix affords a high density of strong carbon-based bonds, resulting in improved adhesion and preventing delamination of the coatings.
以三乙基硼(TEB)和三甲基硼(TMB)为原料,在700℃的H2中共反应制备了无定形BxC薄膜。我们观察到结合这两种前体可以平衡它们的沉积动力学并产生更高的生长速率。x射线光电子能谱定量分析表明,通过改变TEB:TMB比值,可以得到0.7 ~ 4.1范围内的B/C比值。随着碳含量的增加,薄膜中的键合逐渐从类似于a- b的结构演变为嵌入碳基体的半二十面体混合物,再演变为石墨结构。发现在气相中添加TMB会导致弹性和硬度下降,但附着力改善,导致切割时出现复杂的裂纹模式,如正弦裂纹和环。一方面,TMB中碳的掺入导致较软碳基体的贡献增加,损害了多面体B-C结构,从而降低了杨氏模量和硬度。另一方面,这表明在薄膜-衬底界面附近,碳基体的存在提供了高密度的强碳基键,从而提高了附着力,防止了涂层的分层。
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引用次数: 0
Advanced two-objective optimization of thickness and large-area homogeneity of ZnO ultrathin films deposited by atomic layer deposition 原子层沉积法制备ZnO超薄膜厚度及大面积均匀性的先进双目标优化
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-09 DOI: 10.1116/6.0002829
J. Montalvo-Urquizo, D. A. Mazón-Montijo, A. A. Ortíz-Atondo, A. L. Martínez-García, M. I. Mendivil-Palma, O. Y. Ramírez-Esquivel, Z. Montiel-González
Semiconductor thin films and coatings have become one of the most relevant research fields due to their significant applications in priority energy-related technologies such as solar cells, photocatalysts, and smart windows. Since all these fields are conceived as tools to fight against the effects of climate change, a real impact requires the successful deposition of semiconductor films on large-area substrates such as windows, panels, pipes, and containers, to give rise to photoactive components suitable for buildings, industries, cars, and parks. However, scalability remains one of the major issues in almost all methodologies known for the deposition of semiconductor films, irrespective of the phase approach used, i.e., either from vapor- or liquid-phase. Here, a mathematical metamodel was applied to simulate the atomic layer deposition (ALD) of zinc oxide (ZnO) ultrathin films (a versatile photoactive material in energy-related research) and optimized their thickness and homogeneity over the whole area of 8 in.-diameter Si wafers. Knowing all ALD parameters that define the quality and properties of the deposited films, we delimitated a set of four metamodel-inputs (zinc precursor dose, purge, and the inner and outer carrier gas flows) based on literature review, expertise, costs, and reactor design aspects specific to the deposition of ZnO. The average thickness and homogeneity of the films were established as the two outputs of the metamodel, which were the object of optimization. Using advanced iterative procedures, we carried out three rounds of experiments that lead us to a set of ALD parameters to deposit a ZnO ultrathin film with an average thickness of 11.38 nm that leads to a deposition rate of 1.9 Å/cycle, which represents 90% of the highest reported value for ZnO by ALD (2.1 Å/cycle). The homogeneity over the whole 8 in.-diameter wafer reached 2.61 nm, which represents the smoothest distribution of thickness values in the entire deposited area. Given the origin of the limits constraining this optimization procedure, our results hold promise in supporting the transition from the laboratory-level synthesis of thin-film-based optoelectronic devices to their large-scale production. This could ultimately help to circumvent the difficulties faced in scaling the ALD technology and enable alternative deposition methodologies such as thermal ALD, otherwise inaccessible to the production chain.
半导体薄膜和涂层由于在太阳能电池、光催化剂和智能窗等优先能源相关技术中的重要应用而成为最相关的研究领域之一。由于所有这些领域都被认为是对抗气候变化影响的工具,因此真正的影响需要在大面积基板(如窗户、面板、管道和容器)上成功沉积半导体薄膜,以产生适用于建筑物、工业、汽车和公园的光活性组件。然而,在几乎所有已知的半导体薄膜沉积方法中,可扩展性仍然是主要问题之一,无论使用何种相方法,即从气相还是液相。本文采用数学元模型模拟了氧化锌(ZnO)超薄膜(一种在能源相关研究中用途广泛的光活性材料)的原子层沉积(ALD)过程,并优化了其厚度和均匀性。-直径硅片。了解了决定沉积薄膜质量和性能的所有ALD参数,我们根据文献综述、专业知识、成本和特定于ZnO沉积的反应器设计方面划分了一组四种元模型输入(锌前体剂量、吹扫以及内外载气流量)。将薄膜的平均厚度和均匀性作为元模型的两个输出,作为优化目标。利用先进的迭代过程,我们进行了三轮实验,得到了一组ALD参数,沉积了平均厚度为11.38 nm的ZnO超薄膜,沉积速率为1.9 Å/循环,这是报道的ZnO ALD最高值(2.1 Å/循环)的90%。整个8英寸的均匀性。-直径的晶圆达到2.61 nm,代表了整个沉积区域厚度值分布最平滑。考虑到限制这一优化过程的限制的起源,我们的研究结果有望支持从实验室级薄膜光电器件合成到大规模生产的过渡。这最终将有助于克服ALD技术规模化所面临的困难,并实现其他沉积方法,如热ALD,否则无法进入生产链。
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引用次数: 0
Modeling of microtrenching and bowing effects in nanoscale Si inductively coupled plasma etching process 纳米级硅电感耦合等离子体刻蚀过程中微沟槽和弯曲效应的建模
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-08 DOI: 10.1116/6.0003032
Ziyi Hu, Hua Shao, Junjie Li, Panpan Lai, Wenrui Wang, Chen Li, Qi Yan, Xiaobin He, Junfeng Li, Tao Yang, Rui Chen, Yayi Wei
Plasma etching effects, such as microtrenching and bowing, negatively impact device performance. Modeling of these effects at nanoscale is challenging, and theoretical and experimental investigations are highly desired to gain insights into mechanisms. In this paper, we propose a new plasma etching model based on Monte Carlo simulations with a cellular method. This model considers reactions and ion-enhanced etching and consists of a novel particle reflection algorithm, which is a key factor impacting the etch profile. This model reproduces the adjustable microtrenching and bowing effects in periodic dense trenches with tens of nanometer dimensions. We conduct experiments of Si etching by Cl2 and validate the model by comparing the simulated profile with cross-sectional scanning electron microscope images. This work enables a potential physical model driven process emulation tool toward design technology co-optimization.
等离子体蚀刻效应,如微沟和弯曲,会对器件性能产生负面影响。在纳米尺度上建立这些效应的模型是具有挑战性的,并且非常需要理论和实验研究来深入了解其机制。本文提出了一种新的基于蒙特卡罗模拟的等离子体刻蚀模型。该模型考虑了反应和离子增强蚀刻,并包含了一种新的粒子反射算法,这是影响蚀刻轮廓的关键因素。该模型再现了数十纳米尺度的周期性密集沟槽中可调节的微沟槽和弯曲效应。我们进行了Cl2刻蚀硅的实验,并将模拟轮廓与横断面扫描电镜图像进行比较,验证了模型的正确性。这项工作为设计技术协同优化提供了一个潜在的物理模型驱动过程仿真工具。
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引用次数: 0
Fabrication of antireflective coatings with self-cleaning function using Si–Ti modified hollow silicon mixed sol 硅钛改性中空硅混合溶胶制备具有自清洁功能的抗反射涂层
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-08 DOI: 10.1116/6.0003082
Yufan Li, Yong Zheng, Yuze Du, Xi Zhang, Wangwang Wang, Jin Lv
The antireflective coating (ARC) is fabricated by the sol-gel method using mixed sol modified by Si–Ti composite sol. The effects of the mixing ratio of Si–Ti composite sol and hollow silica sol on the surface morphology, optical properties, mechanical properties, and wetting ability of the ARC were studied. Moreover, the self-cleaning ability and environmental stability were examined via dip coating the modified sol on glass substrates. The proposed ARC exhibited a total solar-weighted transmittance (Тsw) of more than 94.97% over a wavelength range of 380–1100 nm, significantly higher than that of the bare glass substrate (Тsw = 90.62%). After modification, the proposed ARC exhibited a hardness of 3 H. In addition, the coating presented an extremely hydrophilic surface with a minimum water contact angle of less than 5°. Water droplets resulted in the formation of a water film on the ARC surface, which could significantly reduce the adverse effects of subsequent pollutants on the coating transmittance; simultaneously, owing to the introduction of TiO2, the coating could oxidatively decompose organic contamination. Finally, damp test results showed that the ARC transmittance only decreased by 0.05%, indicating good environmental stability.
采用溶胶-凝胶法制备了硅钛复合溶胶改性的混合溶胶,研究了硅钛复合溶胶与空心硅溶胶的混合比例对减反射涂层表面形貌、光学性能、力学性能和润湿性能的影响。此外,通过在玻璃基板上浸涂改性溶胶,考察了改性溶胶的自清洁能力和环境稳定性。在380 ~ 1100 nm波长范围内,ARC的总太阳加权透过率(Тsw)大于94.97%,显著高于裸玻璃基板(Тsw = 90.62%)。改性后的ARC硬度达到3 h,涂层具有极亲水性,最小水接触角小于5°。水滴在ARC表面形成水膜,可显著降低后续污染物对涂层透光率的不利影响;同时,由于TiO2的引入,涂层可以氧化分解有机污染物。最后,阻尼试验结果表明,电弧透过率仅下降0.05%,环境稳定性良好。
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引用次数: 0
Ultrahigh density InGaN/GaN nanopyramid quantum dots for visible emissions with high quantum efficiency 用于高量子效率可见光发射的超高密度InGaN/GaN纳米金字塔量子点
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-07 DOI: 10.1116/6.0002997
Cheng Liu, Nikhil Pokharel, Qinchen Lin, Miguel A. Betancourt Ponce, Jian Sun, Dominic Lane, Thomas J. De Prinse, Nelson Tansu, Padma Gopalan, Chirag Gupta, Shubhra S. Pasayat, Luke J. Mawst
In this study, the selective area epitaxy (SAE) of InGaN/GaN nanopyramid quantum dots (QDs) on a block copolymer patterned (BCP) GaN template using metalorganic chemical vapor deposition is reported. The pattern transfer process and SAE process are developed to enable a ultrahigh density of 7–9 × 1010 cm−2 QD formation with a feature size of 20–35 nm. The growth mechanism and geometrical properties of the QDs were investigated by scanning electron microscopy and cross-sectional transmission electron microscopy, showing the nanopyramid QD structure with InGaN grown on semipolar {101¯1} planes. The optical characteristics of the nanopyramid QDs were examined by microphotoluminescence measurements. We observed QD emission centered at 488 and 514 nm, depending on the growth temperature employed. These emissions were found to be longer wavelength than those from a planar quantum well structure. This can be attributed to the combined effects of higher indium incorporation along the semipolar plane and a larger InGaN thickness. Furthermore, we also found that the QD emission intensity increases as the number of InGaN layers increases without wavelength shift, indicating a constant growth rate and indium incorporation along the semipolar plane after the formation of the nanopyramid structure. The internal quantum efficiency is estimated to be over 60% by comparing the photoluminescence (PL) intensity of QDs at low temperature and room temperature. PL emission wavelength shows an 11 nm blue shift, while the full width at half maximum decreases from 68 (351 meV) to 56 nm (303 meV) from room temperature to low temperature. By employing BCP lithography and SAE technique, we successfully demonstrated that ultrahigh density, small size InGaN/GaN nanopyramid QDs with visible emission were achieved, which could be a potential active region for QD light-emitting diodes and/or lasers.
本文报道了利用金属有机化学气相沉积技术在嵌段共聚物(BCP) GaN模板上实现InGaN/GaN纳米晶格量子点(QDs)的选择性区域外延(SAE)。开发了图案转移工艺和SAE工艺,实现了7-9 × 1010 cm−2的超高密度QD形成,特征尺寸为20-35 nm。通过扫描电镜和透射电镜对量子点的生长机理和几何性质进行了研究,发现在半极性{101¯1}平面上生长了InGaN的纳米金字塔量子点结构。采用微光致发光方法研究了纳米金字塔量子点的光学特性。根据生长温度的不同,我们观察到以488和514 nm为中心的量子点发射。发现这些发射比平面量子阱结构的发射波长更长。这可以归因于沿半极平面较高的铟掺入和较大的InGaN厚度的综合影响。此外,我们还发现,随着InGaN层数的增加,QD发射强度增加,但没有波长偏移,这表明在纳米金字塔结构形成后,铟沿半极平面呈恒定的生长速率和掺杂。通过比较量子点在低温和室温下的光致发光强度,估计其内部量子效率在60%以上。从室温到低温,PL发射波长发生了11 nm的蓝移,而半最大全宽度从68 (351 meV)减小到56 nm (303 meV)。通过采用BCP光刻技术和SAE技术,我们成功地实现了超高密度、小尺寸的InGaN/GaN纳米金字塔量子点的可见发射,这可能是量子点发光二极管和/或激光器的潜在活跃区域。
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引用次数: 0
Study of Al2124-SiC nanocomposites by an improved statistical nanoindentation methodology 基于改进统计纳米压痕方法的Al2124-SiC纳米复合材料研究
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-03 DOI: 10.1116/6.0003048
Esteban Broitman, Yuri Kadin, Predrag Andric
In this work, we first review the previous work done on statistical nanoindentation by different researchers, highlighting the main problems that have been found and possible proposed solutions. In the second part, we study and report the statistical nanoindentation of three model samples, in the form of a soft Al2124 matrix embedded with hard SiC particles. Three different variants were selected: (1) 25% of SiC particles with 3 μm diameter; (2) 25% of SiC particles with 0.7 μm diameter; and (3) 17% of SiC particles with 0.3 μm diameter. We propose a novel heuristic wavelet technique to filter the measurement noise from the raw nanoindentation data as an attempt to obtain a more robust statistical nanoindentation methodology. Our results have shown that, when the nanoindentation data are filtered, it is not necessary to select a priori the number of peaks (phases) to be analyzed and, in some cases, a wide number of bin-sizes can be used without affecting the results. Finally, a finite element modeling have been used to analyze the response of the nanoindenter regarding the position of the hard particle. Our model shows that it is impossible to get the whole hardness value of the hard SiC particle by the statistical nanoindentation methodology.
在这项工作中,我们首先回顾了不同研究人员在统计纳米压痕方面所做的工作,重点介绍了已经发现的主要问题和可能提出的解决方案。在第二部分中,我们研究并报告了三种模型样品的统计纳米压痕,其形式是软Al2124基体嵌入硬SiC颗粒。选择三种不同的变体:(1)25%的直径为3 μm的SiC颗粒;(2)粒径0.7 μm的SiC颗粒25%;(3)直径0.3 μm的SiC颗粒占17%。我们提出了一种新的启发式小波技术来过滤原始纳米压痕数据中的测量噪声,以获得更鲁棒的统计纳米压痕方法。我们的结果表明,当纳米压痕数据被过滤时,没有必要先验地选择要分析的峰(相)的数量,并且在某些情况下,可以使用大量的桶尺寸而不影响结果。最后,利用有限元模型分析了纳米压头对硬颗粒位置的响应。我们的模型表明,统计纳米压痕方法不可能得到硬质碳化硅颗粒的全部硬度值。
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引用次数: 0
Materials characterization: Can artificial intelligence be used to address reproducibility challenges? 材料表征:人工智能可以解决可重复性的挑战吗?
3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2023-11-03 DOI: 10.1116/6.0002809
Miu Lun Lau, Abraham Burleigh, Jeff Terry, Min Long
Material characterization techniques are widely used to characterize the physical and chemical properties of materials at the nanoscale and, thus, play central roles in material scientific discoveries. However, the large and complex datasets generated by these techniques often require significant human effort to interpret and extract meaningful physicochemical insights. Artificial intelligence (AI) techniques such as machine learning (ML) have the potential to improve the efficiency and accuracy of surface analysis by automating data analysis and interpretation. In this perspective paper, we review the current role of AI in surface analysis and discuss its future potential to accelerate discoveries in surface science, materials science, and interface science. We highlight several applications where AI has already been used to analyze surface analysis data, including the identification of crystal structures from XRD data, analysis of XPS spectra for surface composition, and the interpretation of TEM and SEM images for particle morphology and size. We also discuss the challenges and opportunities associated with the integration of AI into surface analysis workflows. These include the need for large and diverse datasets for training ML models, the importance of feature selection and representation, and the potential for ML to enable new insights and discoveries by identifying patterns and relationships in complex datasets. Most importantly, AI analyzed data must not just find the best mathematical description of the data, but it must find the most physical and chemically meaningful results. In addition, the need for reproducibility in scientific research has become increasingly important in recent years. The advancement of AI, including both conventional and the increasing popular deep learning, is showing promise in addressing those challenges by enabling the execution and verification of scientific progress. By training models on large experimental datasets and providing automated analysis and data interpretation, AI can help to ensure that scientific results are reproducible and reliable. Although integration of knowledge and AI models must be considered for the transparency and interpretability of models, the incorporation of AI into the data collection and processing workflow will significantly enhance the efficiency and accuracy of various surface analysis techniques and deepen our understanding at an accelerated pace.
材料表征技术被广泛用于表征纳米尺度材料的物理和化学性质,因此在材料科学发现中起着核心作用。然而,这些技术产生的庞大而复杂的数据集通常需要大量的人力来解释和提取有意义的物理化学见解。机器学习(ML)等人工智能(AI)技术有可能通过自动化数据分析和解释来提高表面分析的效率和准确性。在这篇前瞻性的论文中,我们回顾了人工智能在表面分析中的作用,并讨论了它在加速表面科学、材料科学和界面科学发现方面的未来潜力。我们重点介绍了人工智能已经用于分析表面分析数据的几个应用,包括从XRD数据中识别晶体结构,分析表面成分的XPS光谱,以及解释颗粒形态和尺寸的TEM和SEM图像。我们还讨论了将人工智能集成到表面分析工作流程中的挑战和机遇。其中包括训练机器学习模型需要大型和多样化的数据集,特征选择和表示的重要性,以及机器学习通过识别复杂数据集中的模式和关系来实现新见解和发现的潜力。最重要的是,人工智能分析数据不仅要找到数据的最佳数学描述,还必须找到最具物理和化学意义的结果。此外,近年来,科学研究中对可重复性的需求变得越来越重要。人工智能的进步,包括传统的和日益流行的深度学习,正在显示出通过执行和验证科学进步来应对这些挑战的希望。通过在大型实验数据集上训练模型并提供自动分析和数据解释,人工智能可以帮助确保科学结果的可重复性和可靠性。虽然为了模型的透明度和可解释性,必须考虑知识和人工智能模型的集成,但将人工智能纳入数据收集和处理工作流将大大提高各种表面分析技术的效率和准确性,并加速加深我们的理解。
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Journal of Vacuum Science & Technology A
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