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Effects of pressure on the electronic and optical properties of defect-free and defect-containing fused silica: A first-principles study 压力对无缺陷和含缺陷熔融石英的电子和光学特性的影响:第一原理研究
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-26 DOI: 10.1016/j.vacuum.2024.113881
Rongqi Shen , Yi Lu , Zhongxi Zhang
Fused silica is a widely used optical material in high-power solid-state laser systems. The electronic and optical properties of fused silica are affected by point defects and stress in the material. In this paper, the electronic and optical properties of fused silica are calculated using the first-principles method. The study found that the band gap of defect-free fused silica material gradually decreases as the pressure increases. When the fused silica material contains oxygen vacancy or silicon vacancy defects, the band gap size is not proportional to pressure. During the elastic deformation stage, low strain and high strain cause a sudden change in the band gap size of defect-containing fused silica. This paper reveals the mechanism of the influence of pressure on the band gap and optical properties of defect-free and defect-containing fused silica materials from the perspective of micro-stress.
熔融石英是一种广泛应用于高功率固体激光系统的光学材料。熔融石英的电子和光学特性受到材料中的点缺陷和应力的影响。本文采用第一原理方法计算了熔融石英的电子和光学特性。研究发现,无缺陷熔融石英材料的带隙随着压力的增加而逐渐减小。当熔融石英材料含有氧空位或硅空位缺陷时,带隙大小与压力不成正比。在弹性变形阶段,低应变和高应变会引起含缺陷熔融石英带隙大小的突然变化。本文从微应力的角度揭示了压力对无缺陷和含缺陷熔融石英材料带隙和光学特性的影响机理。
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引用次数: 0
Editorial Board and Vacuum units 编辑委员会和真空装置
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-24 DOI: 10.1016/S0042-207X(24)00898-4
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引用次数: 0
The precipitation behavior of natural aging for Al-Cu-Li alloy after homogenization 均质化后铝铜锂合金自然时效的析出行为
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-24 DOI: 10.1016/j.vacuum.2024.113878
Fuyuan Liu , Guantao Wang , Enyu Guo , Zhirou Zhang , Zongning Chen , Huijun Kang , Yanjin Xu , Tongmin Wang
The effects of natural aging (NA) on microstructure and mechanical properties of as-homogenized Al-4.1Cu-1.3Li-0.4Mg-0.4Ag-0.3Mn-0.5Zn-0.1Zr alloy are investigated in this work. The results show that the alloy exhibits a strong NA response attributed to a plethora of GP-Li zones and δ′ precipitated during the initial 3 days which provides nucleation sites for the T1 phase. After 15 days, the mechanical properties dramatically enhance due to the precipitation of the saturated GP-Li zones, δ′, and T1 phases. The yield strength, ultimate tensile strength, and fracture elongation reach 316 MPa, 469 MPa, and 14 % after NA for 15 days, respectively.
本文研究了自然时效(NA)对均质化铝-4.1Cu-1.3Li-0.4Mg-0.4Ag-0.3Mn-0.5Zn-0.1Zr 合金的微观结构和机械性能的影响。结果表明,合金表现出强烈的 NA 反应,这归因于大量 GP-Li 区和δ′在最初 3 天内析出,为 T1 相提供了成核点。15 天后,由于饱和 GP-Li 区、δ′ 和 T1 相的析出,机械性能显著提高。NA 15 天后,屈服强度、极限拉伸强度和断裂伸长率分别达到 316 兆帕、469 兆帕和 14%。
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引用次数: 0
Microstructural stability enhancement and mechanical reinforcement of TLP-bonded Cu/Sn-3.5Ag/Cu microbumps under multiple reflow cycles through Zn Alloying and Ni substrate integration 通过锌合金化和镍基底集成,在多次回流焊循环下提高 TLP 焊接铜/锰-3.5Ag/铜微凸块的微结构稳定性并增强其机械性能
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.1016/j.vacuum.2024.113855
Yin-Ku Lee, Yun-Chen Chan, Zih-Yu Wu, Su-Yueh Tsai, Shou-Yi Chang, Jenq-Gong Duh
The transient liquid phase (TLP) bonding process is effective for constructing stacked structures in advanced packaging, as it allows for multiple reflow cycles without remelting. However, the various reflows can cause phase transformations, leading to internal stress-induced voids. Thus, the stability of IMC phases is particularly challenged in 3D stacking structures. Common configurations include Cu/Sn/Cu and Cu/Ni/Sn/Cu. Although Ni improves the stability of the Cu6Sn5 phase, phase transformation to Cu3Sn can still occur, compromising reliability. This study investigates microstructure stability by doping Zn into the Cu/Sn-3.5Ag/Ni system across five reflow cycles. Results demonstrate that Cu-15Zn/Sn-3.5Ag/Ni microbumps reduce void formation and ensuring the phase stability of the (Cu,Ni)6(Sn,Zn)5 to maintain the microstructure stability. The Zn addition inhibits the Cu3Sn layer, while optimizing grain size and orientation of (Cu,Ni)6(Sn,Zn)5. (Cu,Ni)6(Sn,Zn)5 also exhibits increased hardness and reduced modulus (Er). These findings provide critical insights for designing sub-10-μm scale TLP-bonded microbumps in advanced packaging.
瞬态液相(TLP)键合工艺可在高级封装中有效地构建叠层结构,因为它允许多次回流焊循环而无需重新熔化。然而,各种回流可能会引起相变,导致内部应力引起的空洞。因此,在三维堆叠结构中,IMC 相的稳定性尤其面临挑战。常见的结构包括 Cu/Sn/Cu 和 Cu/Ni/Sn/Cu。虽然镍提高了 Cu6Sn5 相的稳定性,但仍可能发生向 Cu3Sn 的相变,从而影响可靠性。本研究通过在 Cu/Sn-3.5Ag/Ni 系统中掺入 Zn,在五个回流焊周期中研究微观结构的稳定性。结果表明,Cu-15Zn/Sn-3.5Ag/Ni 微凸块减少了空洞的形成,确保了 (Cu,Ni)6(Sn,Zn)5 的相稳定性,从而保持了微观结构的稳定性。锌的添加抑制了 Cu3Sn 层,同时优化了(Cu,Ni)6(Sn,Zn)5 的晶粒大小和取向。这些发现为在先进封装中设计 10 微米以下尺度的 TLP 粘合微凸块提供了重要启示。
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引用次数: 0
Microstructural deformation behavior of laser shock peening Ni alloys: Experimental and molecular dynamics simulation investigations 激光冲击强化镍合金的微结构变形行为:实验和分子动力学模拟研究
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.1016/j.vacuum.2024.113848
Zhiyuan Liu , Rongwei Zha , Zhangjie Tan , Sisheng Liu , Qingjun Hao , Cheng Lei , Du Wang
Nickel (Ni) alloys are widely used in aerospace and nuclear power applications due to their excellent high-temperature performance, corrosion resistance, and fatigue strength. However, the Ni alloy prolonged exposure to extreme conditions, such as high-temperature vapor and alternating cyclic loads, often faced with challenges such as fatigue failure, corrosion and wear. These issues necessitate post-treatment techniques to enhance surface properties, ensuring the reliability and stability of critical structures and components. This study explores the application of laser shock peening (LSP) for refining the microstructure and improving the mechanical properties of Ni alloy (Inconel 690). Experimental results demonstrate LSP effectively improves surface microstructure (∼400 μm), specially forming fine-grained layer (∼150 μm), increases surface hardness by 21.6 % (from 185(±1.32) HV to 225(±7.57) HV), and introduces a compressive residual stress of −319(±50) MPa. Furthermore, a simulation model was developed using finite element method (FEM) and molecular dynamics (MD) to link microstructure and mechanical properties through strain rate, revealing the formation mechanism of fine grain layers and twin crystal. This work provides a theoretical method for the LSP treatment in Ni alloys, and offers simulation framework for investigating the connection between microstructure and mechanical properties in laser surface engineering technologies.
镍(Ni)合金具有优异的高温性能、耐腐蚀性和疲劳强度,因此被广泛应用于航空航天和核能领域。然而,镍合金长期暴露在高温蒸汽和交变循环载荷等极端条件下,往往会面临疲劳失效、腐蚀和磨损等挑战。这些问题需要采用后处理技术来提高表面性能,确保关键结构和部件的可靠性和稳定性。本研究探讨了激光冲击强化(LSP)在细化镍合金(Inconel 690)微观结构和改善其机械性能方面的应用。实验结果表明,激光冲击强化有效改善了表面微观结构(∼400 μm),特别是形成了细晶粒层(∼150 μm),使表面硬度提高了 21.6%(从 185(±1.32) HV 提高到 225(±7.57) HV),并产生了-319(±50) MPa 的压缩残余应力。此外,还利用有限元法(FEM)和分子动力学(MD)建立了一个模拟模型,通过应变速率将微观结构和机械性能联系起来,揭示了细晶粒层和孪晶的形成机理。这项研究为镍合金的 LSP 处理提供了理论方法,并为研究激光表面工程技术中微观结构与机械性能之间的联系提供了模拟框架。
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引用次数: 0
The study on the magnetic FeCoNiCuAl high-entropy alloy film with excellent corrosion resistance 具有优异耐腐蚀性的磁性 FeCoNiCuAl 高熵合金膜的研究
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.1016/j.vacuum.2024.113859
Bin Li , Yubing Xia , Haonan Li , Mengya Chen , Zhongyuan Wu , Xiaohua Tan , Hui Xu
FeCoNiCuAl high-entropy alloy films (HEAFs) were prepared by direct current magnetron sputtering. The magnetic properties, corrosion resistance in 3.5 wt% NaCl solution and microstructure of the as-deposited and annealed HEAFs were investigated. The results indicated that the as-deposited HEAFs had an amorphous structure. With the increase of annealing temperature, the HEAFs gradually crystallized and the coercivity increased. The as-deposited HEAF had better corrosion resistance than the bulk FeCoNiCuAl high-entropy alloy (HEA), and the Icorr value was 1.41 × 10−6A/cm2. The improved corrosion performance is mainly due to the homogeneity of the composition. After annealing, (Cu, Ni)-rich precipitates appeared in the HEAFs, and the quantity and size of the precipitates increased with increasing annealing temperature. Annealing treatment significantly enhanced the corrosion resistance of the HEAFs. After annealing at 673 K, the optimal Icorr of HEAF was 2.74 × 10−7 A/cm2, which was better than the 304 stainless steel, FeSiB amorphous alloy, some HEAFs, etc. The mechanism of corrosion resistance improvement of the HEAFs after annealing treatment was discussed using scanning electron microscopy and X-ray photoelectron spectroscopy. Good corrosion resistance results from high valence oxides and stable passivation films. This work not only provides direction for the enhancement of corrosion resistance of HEA magnetic films, but also provides candidate materials for magnetic film sensors in harsh environments.
采用直流磁控溅射法制备了铁钴镍铜铝高熵合金薄膜(HEAFs)。研究了沉积和退火 HEAFs 的磁性能、在 3.5 wt% NaCl 溶液中的耐腐蚀性以及微观结构。结果表明,沉积的 HEAFs 具有非晶态结构。随着退火温度的升高,HEAFs 逐渐结晶,矫顽力增加。与块状铁钴镍铜铝高熵合金(HEA)相比,析出的 HEAF 具有更好的耐腐蚀性,Icorr 值为 1.41 × 10-6A/cm2。腐蚀性能的改善主要归功于成分的均匀性。退火后,HEAF 中出现了富含(铜、镍)的析出物,且析出物的数量和大小随退火温度的升高而增加。退火处理大大提高了 HEAFs 的耐腐蚀性。在 673 K 退火后,HEAF 的最佳 Icorr 为 2.74 × 10-7 A/cm2,优于 304 不锈钢、FeSiB 非晶合金和某些 HEAF 等。利用扫描电子显微镜和 X 射线光电子能谱探讨了退火处理后 HEAFs 耐腐蚀性能提高的机理。良好的耐腐蚀性源于高价氧化物和稳定的钝化膜。这项工作不仅为提高 HEA 磁性薄膜的耐腐蚀性提供了方向,而且为恶劣环境下的磁性薄膜传感器提供了候选材料。
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引用次数: 0
Dielectric high gradient insulator – Progress towards multilayer insulating structures 高梯度介质绝缘体 - 多层绝缘结构的进展
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-22 DOI: 10.1016/j.vacuum.2024.113858
Anat Karlin , Michal Sakajio , Meirav Mann-Lahav , Gennady E. Shter , Shai Zamir , Gideon S. Grader
High gradient insulators (HGI) consisting of ceramic and metallic alternating layer structure, have been shown to reduce surface breakdown occurrence in high voltage devices. Recently, the HGI's metal layers were replaced with high dielectric constant ceramics, creating dielectric high gradient insulators (DHGI) that were shown to outperform pure alumina analog. A 2-layer DHGI prototype manufactured by spark plasma sintering (SPS) demonstrated an increased surface breakdown field and fewer surface breakdowns during conditioning, compared to plain alumina. However, weak breakdowns at the opposite polarity were observed in the 2-layer structure. This study focuses on overcoming this issue by introducing a 3-layer design, with two high dielectric layers capping a plain alumina layer. Breakdown tests confirmed the elimination of weak breakdowns and improved dielectric strength, consistent with simulations predictions. Additionally, post-SPS air annealing was shown to be essential for removing adsorbed gases and recovering the high dielectric layers composition that changed during SPS. The annealed DHGIs were shown to reduce significantly the breakdown pulses during high-voltage conditioning. The 3-layer DHGI exhibited a 33.5 % higher breakdown field than plain alumina and a 13.5 % improvement over the 2-layer DHGI reported earlier.
由陶瓷和金属交替层结构组成的高梯度绝缘体(HGI)已被证明可以减少高压设备中的表面击穿现象。最近,HGI 的金属层被高介电常数陶瓷取代,从而产生了介电高梯度绝缘体 (DHGI),其性能超过了纯氧化铝类似物。与普通氧化铝相比,通过火花等离子烧结(SPS)制造的双层 DHGI 原型在调节过程中显示出更高的表面击穿场和更少的表面击穿。然而,在 2 层结构中观察到了极性相反的微弱击穿。本研究主要通过引入 3 层设计来克服这一问题,即在普通氧化铝层上覆盖两层高介电层。击穿测试证实消除了弱击穿现象,提高了介电强度,这与模拟预测一致。此外,SPS 后的空气退火对于去除吸附气体和恢复在 SPS 期间发生变化的高介电层成分至关重要。退火后的 DHGI 在高压调节过程中可显著降低击穿脉冲。三层 DHGI 的击穿场强比普通氧化铝高出 33.5%,比之前报告的两层 DHGI 高出 13.5%。
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引用次数: 0
A new understanding of phase transformation in vacuum electron beam welding of NS163 Co-based superalloy and AISI 410L stainless steel: Based on in situ observation and variant selection 对 NS163 Co 基超合金和 AISI 410L 不锈钢真空电子束焊接中相变的新认识:基于现场观察和变体选择
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-22 DOI: 10.1016/j.vacuum.2024.113862
Xin Wen , Xinyu Gao , Shichang Qiao , Fengzhen Wang , Na Li , Shuai Liu , Chao Yuan
This study establishes a link between crystallographic variants and mechanical properties at both the edge and center regions of NS163 Co-based superalloy wires and AISI 410L stainless steel plates welded joints. The thermal cycle of vacuum electron beam welding was simulated using in situ laser confocal microscopy to clarify the martensitic transformation process. Results indicate that martensite preferentially nucleates at grain boundaries, maintaining the Kurdjumov-Sachs orientation relationship with the parent austenite. Most variant boundaries in these regions correspond to variants within the same crystal packet, with V1/V3&V5 emerging as dominant pairs. At the edge, the increased cooling rate and temperature gradient amplify the driving force for martensitic transformation, fostering the generation of diverse variants. Conversely, lower cooling rate at the center raises the martensitic transformation temperature and expands variant selection. The study notes significant dislocation slip during micropillar compression, with the edge of weld exhibiting finer martensite laths and dense dislocations, which enhances strength (∼1279 MPa) compared to the center (∼1040 MPa), aligning with the results obtained via nanoindentation. The observed "size effect" results in a twice strength as measured by micropillar compression compared to nanoindentation. Additionally, staggered Bain groups at the edge include a greater number of high angle grain boundaries, indirectly improving toughness. This research aligns with recent literature and aids in the development of compositional design and machining techniques for heterogeneous welds.
本研究确定了 NS163 Co 基超合金焊丝和 AISI 410L 不锈钢板焊接接头边缘和中心区域的结晶变体与机械性能之间的联系。研究利用原位激光共聚焦显微镜模拟了真空电子束焊接的热循环,以阐明马氏体转变过程。结果表明,马氏体优先在晶界处成核,与母体奥氏体保持库尔德朱莫夫-萨克斯取向关系。这些区域的大多数变体边界对应于同一晶包内的变体,其中 V1/V3&V5 是主要的变体对。在边缘,冷却速率和温度梯度的增加会放大马氏体转变的驱动力,促进各种变体的产生。相反,中心冷却速率降低,马氏体转变温度升高,变体选择范围扩大。研究注意到在微柱压缩过程中存在明显的位错滑移,焊缝边缘表现出更细的马氏体板条和密集的位错,与中心(∼1040 兆帕)相比,增强了强度(∼1279 兆帕),这与纳米压痕获得的结果一致。观察到的 "尺寸效应 "导致微柱压缩测量的强度是纳米压痕测量的两倍。此外,边缘交错的贝恩组包括更多的高角度晶界,间接提高了韧性。这项研究与最近的文献一致,有助于开发异质焊接的成分设计和加工技术。
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引用次数: 0
Insight into the evaporation characteristics of vacuum environment describing the different zones 深入了解描述不同区域的真空环境蒸发特性
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-22 DOI: 10.1016/j.vacuum.2024.113837
Sarvjeet Singh , Pankaj K. Arya , Prodyut R. Chakraborty , Hardik B. Kothadia
The integrity of the nuclear reactor coolant system and the pressure within the pipes are of utmost concern during the practical operation. Any leakage in the pipes due to fracture/thermal stratification can cause the leakage of high-pressure fluid into the low-pressure environment. This results in a high-pressure drop and phase change from liquid to vapour, which causes accidental mishaps. In depth knowledge of the physics that regulates phase change is needed to forecast the consequences of phase change and guarantee the safety of nuclear activities. The present work aims to augment the understanding of low pressure vaporization through experimental observations. A new experimental setup has been set up to study low pressure vaporization. Experiments are conducted with different initial temperatures ranging from 65 °C to 80 °C, initial water heights between 100 mm to 140 mm, and high vacuum tank pressure varying from 11.32 to 31.32 kPa. Based on the pressure difference, The process is characterized into two different zones and their respective stages. The concept of static superheat and instant superheat is described in the work. The results show that the temperature drop during the first zone is much less than the flashing zone. Flashing time can be increased by increasing the pool height and initial temperature. Instant superheat has a direct relationship to the initial temperature but has an inverse relation to the initial height of the pool. These outcomes will be advantageous in enhancing the design of nuclear coolant systems and addressing safety concerns.
在实际操作过程中,核反应堆冷却剂系统的完整性和管道内的压力是最值得关注的问题。管道内因断裂/热分层造成的任何泄漏都可能导致高压流体泄漏到低压环境中。这将导致高压下降和从液体到蒸汽的相变,从而造成意外事故。要预测相变的后果并保证核活动的安全,就需要深入了解调节相变的物理学知识。目前的工作旨在通过实验观察加深对低压汽化的理解。为了研究低压汽化,我们建立了一个新的实验装置。实验的初始温度从 65 °C 到 80 °C,初始水高从 100 mm 到 140 mm,高真空罐压力从 11.32 kPa 到 31.32 kPa。根据压力差,该过程分为两个不同的区域和各自的阶段。工作中描述了静态过热和瞬时过热的概念。结果表明,第一区的温降远小于闪蒸区。闪蒸时间可以通过增加水池高度和初始温度来延长。瞬时过热度与初始温度有直接关系,但与水池的初始高度成反比。这些结果将有利于改进核冷却剂系统的设计和解决安全问题。
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引用次数: 0
Effects of water-guided laser surface strengthening on surface properties and fatigue life of TC4 titanium alloy in tension-tension fatigue tests 水引导激光表面强化对 TC4 钛合金拉伸疲劳试验中表面性能和疲劳寿命的影响
IF 3.8 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-22 DOI: 10.1016/j.vacuum.2024.113863
Ping Zhang , Yeran Gao , Yan Yu , Yajie Sun , Hanping Zhou , Jinlong Zhang
In this study, we introduce a novel surface strengthening technique known as Water-Jet Guided Laser (WJGL) strengthening. This method is investigated for its impact on the surface properties of TC4 titanium alloy, highlighting its effectiveness in enhancing material performance and extending service life. WJGL strengthening influences material characteristics by adjusting jet velocity and laser overlap ratio.Surface roughness increases with higher jet velocities, and residual stress distribution is similarly affected. Specifically, at a 30 % overlap ratio, surface roughness values rise by 0.0562, 0.2551, and 0.6634 μm as jet velocity increases from 300 to 400 mm/s. Residual compressive stress initially increases with jet velocity, reaching peaks of 827.5, 1018.8, and 1003.3 MPa, before declining.The technique shows consistent effects on maximum residual compressive stress across various overlap ratios, with jet velocity being the primary factor affecting residual stress distribution. WJGL strengthening significantly improves high-cycle fatigue life and thermo-mechanical fatigue performance under tensile-tensile loading conditions. Higher jet velocities correlate with an increased number of cycles to failure in high-cycle fatigue testing. The fracture-prone area initially contracts and then expands, likely due to changes in residual stress.In thermo-mechanical fatigue tests, the central region exhibits a reduced lifespan, indicating a concentrated stress distribution. Fatigue cycle counts show a consistent pattern across different overlap ratios and jet velocities, with higher overlap ratios contributing to longer fatigue life.Compared to traditional techniques such as Water-Jet (WJ) and Laser Shock Peening (LSP), WJGL strengthening demonstrates superior performance and presents a promising approach for material enhancement.
在本研究中,我们介绍了一种新型表面强化技术,即喷水导引激光(WJGL)强化技术。研究了这种方法对 TC4 钛合金表面特性的影响,突出了它在提高材料性能和延长使用寿命方面的有效性。WJGL 强化通过调整喷射速度和激光重叠率来影响材料特性。具体来说,在重叠率为 30% 时,随着喷射速度从 300 mm/s 增加到 400 mm/s,表面粗糙度值分别增加了 0.0562、0.2551 和 0.6634 μm。残余压应力最初随喷射速度的增加而增加,在达到 827.5、1018.8 和 1003.3 兆帕的峰值后开始下降。该技术对不同重叠率的最大残余压应力具有一致的影响,而喷射速度是影响残余应力分布的主要因素。在拉伸-拉伸加载条件下,WJGL 强化技术显著提高了高循环疲劳寿命和热机械疲劳性能。在高循环疲劳测试中,喷射速度越高,失效循环次数越多。在热机械疲劳测试中,中心区域的寿命缩短,表明应力分布集中。在不同的重叠率和喷射速度下,疲劳循环次数显示出一致的模式,重叠率越高,疲劳寿命越长。与水喷射(WJ)和激光冲击强化(LSP)等传统技术相比,WJGL 强化技术性能优越,是一种很有前途的材料强化方法。
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引用次数: 0
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