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The Role of Grain Boundary Curvature in Diffusional Deformation: Control of Grain Boundary Sliding by Grain Boundary Mobility 晶界曲率在扩散变形中的作用:由晶界迁移率控制晶界滑动
Pub Date : 2020-10-19 DOI: 10.2139/ssrn.3714495
F. Delannay
The diffusion processes involved in the accommodation of grain boundary sliding in diffusional deformation are revisited by considering the role of grain boundary curvature and of the associated grain boundary migration. A method is developed for calculating grain boundary profiles, diffusional fluxes, and the dissipation power arising from the coupling of diffusion fluxes and grain boundary migration during the quasi-steady-state stage of deformation. In conditions of dominance of Coble creep, the controlling length scale is the square root of the ratio of grain boundary diffusivity to grain boundary mobility. Zero curvature is the particular solution valid when mobility is infinite. The analysis brings the definition of a lower bound for the grain boundary viscosity parameter to be used in numerical simulations of diffusional deformation. This lower bound is consistent with previous identifications of the parameter in literature.
通过考虑晶界曲率和相关晶界迁移的作用,重新讨论了扩散变形中晶界滑动调节的扩散过程。提出了一种计算变形准稳态阶段晶界轮廓、扩散通量和扩散通量与晶界迁移耦合引起的耗散功率的方法。在Coble蠕变占优势的条件下,控制长度尺度为晶界扩散率与晶界迁移率之比的平方根。曲率为零的特解在可动性无穷大时有效。通过分析,给出了用于扩散变形数值模拟的晶界黏度参数下界的定义。这个下界与以前文献中对参数的辨识一致。
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引用次数: 0
Inhibiting Stress Corrosion Cracking by Removing Corrosion Products from the Mg-Zn-Zr Alloy Pre-Exposed to Corrosion Solutions 通过去除预暴露于腐蚀溶液中的Mg-Zn-Zr合金的腐蚀产物来抑制应力腐蚀开裂
Pub Date : 2020-10-19 DOI: 10.2139/ssrn.3714499
E. Merson, V. Poluyanov, P. Myagkikh, D. Merson, A. Vinogradov
Abstract Magnesium and its alloys are susceptible to stress-corrosion cracking (SCC), which can manifest itself during the slow-strain rate tensile (SSRT) testing in air if the specimens were pre-exposed to corrosive media. This phenomenon is generally associated with hydrogen embrittlement (HE) which is believed to be related to diffusible hydrogen penetrating into the metal during the pre-exposure. In the present study, we show that the corrosion product layer deposited on the surface of the pre-exposed specimens is crucial in the SCC mechanism. The specimens of the alloy ZK60 were SSRT tested in air, in corrosive media, in air after pre-exposure to corrosive media as well as after pre-exposure and removal of corrosion products. To vary the severity of SCC, four NaCl-based corrosion solutions were utilised. The embrittlement resulted in a marked decrease in ductility and the concurrent appearance of multiple side-surface cracks as well as brittle fragments on the fracture surface. The most striking finding of the present study is that the removal of corrosion products from the surface of the pre-exposed specimens results in complete recovery of the mechanical response and in the elimination of all harmful embrittling features regardless of the corrosive solution used. This effect is found to be inconsistent with the common viewpoint where the SCC mechanism is governed entirely by diffusible hydrogen. The obtained results shed new light on the role of diffusible hydrogen, corrosion products and irreversible corrosion damage in the SCC mechanism of Mg alloys pre-exposed to corrosive media.
摘要镁及其合金在空气中进行慢应变速率拉伸(SSRT)试验时,如果预先暴露于腐蚀介质中,则容易发生应力腐蚀开裂(SCC)。这种现象通常与氢脆(HE)有关,氢脆被认为与预曝光过程中扩散的氢渗透到金属中有关。在本研究中,我们发现沉积在预暴露试样表面的腐蚀产物层在SCC机制中起着至关重要的作用。ZK60合金试样分别在空气中、腐蚀介质中、腐蚀介质预暴露后的空气中以及预暴露和去除腐蚀产物后的空气中进行了SSRT测试。为了改变SCC的严重程度,使用了四种基于nacl的腐蚀溶液。脆化导致延性显著降低,断口面上同时出现多个侧面裂纹和脆性碎片。本研究最引人注目的发现是,从预暴露的试样表面去除腐蚀产物导致机械响应的完全恢复,并消除了所有有害的脆化特征,无论使用何种腐蚀溶液。这种效应被发现与普遍的观点不一致,即SCC机制完全由扩散氢控制。研究结果揭示了可扩散氢、腐蚀产物和不可逆腐蚀损伤在镁合金预暴露于腐蚀介质中的SCC机制中的作用。
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引用次数: 27
Catalytic Hydrocracking of Synthetic Polymers into Grid-Compatible Gas Streams 合成聚合物催化加氢裂化成网格相容气流
Pub Date : 2020-10-12 DOI: 10.2139/ssrn.3696768
Wei-Tse Lee, Felix D. Bobbink, Antoine P. van Muyden, Kun-Han Lin, C. Corminboeuf, R. Zamani, P. Dyson
Summary The use of methane as one of the cleanest energy sources has attracted significant public awareness, and methane production processes with less environmental impact than fracking are receiving considerable attention. Catalytic hydrocracking of plastic materials has been considered a potential clean alternative. However, catalysts that convert heterogeneous plastic feeds into a single product under industrially relevant conditions are lacking. Here, we describe a Ru-modified zeolite that catalytically transforms polyethylene, polypropylene, and polystyrene into grid-compatible methane (>97% purity), at 300°C–350°C using near-stoichiometric amounts of H2. Mechanistic studies reveal a chain-end initiation process with limited isomerization of plastic substrates. A Ru site-dominant mechanism is proposed based on these studies and density functional theory (DFT) computations. We foresee that such a plastic-to-methane process may increase the intelligent use of plastic waste via energy recovery. There is also the potential to accommodate emerging sustainable H2 production into existing natural gas networks, while integrating waste management, fuel production, and energy storage.
甲烷作为最清洁的能源之一已经引起了公众的极大关注,与水力压裂法相比,对环境影响较小的甲烷生产工艺正受到越来越多的关注。塑料材料的催化加氢裂化被认为是一种潜在的清洁替代方法。然而,在工业相关条件下将异质塑料原料转化为单一产品的催化剂是缺乏的。在这里,我们描述了一种ru修饰的沸石,它可以在300°C - 350°C的条件下,使用接近化学量的H2,催化将聚乙烯、聚丙烯和聚苯乙烯转化为网格相容的甲烷(纯度>97%)。机理研究揭示了一个链端引发过程与有限的塑料底物异构化。基于这些研究和密度泛函理论(DFT)计算,提出了Ru位点优势机理。我们预计,这种塑料制甲烷工艺可能会通过能源回收来提高塑料废物的智能利用。还有可能将新兴的可持续氢气生产纳入现有的天然气网络,同时整合废物管理、燃料生产和能源储存。
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引用次数: 28
Enhanced Mechanical Properties and Corrosion Resistance of 316l Stainless Steel by Pre-Forming a Gradient Nanostructured Surface Layer and Annealing 梯度纳米结构预成形和退火提高316l不锈钢的力学性能和耐蚀性
Pub Date : 2020-10-05 DOI: 10.2139/ssrn.3692992
Y. Lei, Zexuan Wang, B. Zhang, Zhengping Luo, Jian Lu, K. Lu
Abstract Stainless steels with high mechanical properties and corrosion resistance are promising structural materials for the next generation of aerospace and some niche industries. In this work, we pre-formed a gradient nanostructured (GNS) surface layer on 316L stainless steel by surface mechanical rolling treatment (SMRT) and subsequently annealed it at 700 °C. Tensile tests showed that the strength-ductility synergy was enhanced in the annealed-SMRT sample, while the grain size and hardness in the GNS layer retained rather stable. In addition, a remarkable Cr-enrichment was found in the GNS surface layer after annealing, resulting in a significantly enhanced corrosion resistance. The underlying mechanisms on the microstructure, composition and phases evolutions, as well as their effects on deformation and corrosion behavior, were analyzed in the annealed-SMRT sample. This work provides insights on developing a simple thermomechanical approach to produce stainless steels with enhanced mechanical properties and corrosion resistance.
摘要不锈钢具有较高的机械性能和耐腐蚀性,是下一代航空航天和一些小众工业的有前途的结构材料。在这项工作中,我们通过表面机械轧制处理(SMRT)在316L不锈钢上预先形成了梯度纳米结构(GNS)表面层,然后在700°C下进行退火。拉伸试验表明,退火后的smrt试样的强度-塑性协同作用增强,而GNS层的晶粒尺寸和硬度保持较稳定。此外,退火后的GNS表层有明显的cr富集,耐蚀性显著增强。分析了smrt退火试样的微观组织、成分和相演变的潜在机制,以及它们对变形和腐蚀行为的影响。这项工作为开发一种简单的热机械方法来生产具有增强机械性能和耐腐蚀性的不锈钢提供了见解。
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引用次数: 64
Development of a Formulation for Light Stabilizers To Protect Dyed Cotton Knitted Fabrics Against Light 染色棉针织织物防光稳定剂配方的研制
Pub Date : 2020-10-01 DOI: 10.15587/1729-4061.2020.211495
O. Semeshko, Yulia Saribyekova, T. Asaulyuk, Nataliia Skalozubova, S. Myasnikov
Mathematical planning of the experiment was used to develop a formulation for light stabilizers to improve the lightfastness of cotton knitwear coloration, dyed with active dyes, in order to produce comfortable and high-quality knitted clothes. The variance and factor analyses of the experiment's results were performed, which was carried out according to the scheme of the Latin cube of the first order involving the variation of factors – the type of light stabilizers and their concentration. The technological mode of application of light stabilizers implied the impregnation of knitted fabric, drying, and thermal fixation of the material. For the dyed knitwear samples, we have investigated the individual influence of light stabilizers on changing the color of the dyed knitted fabric and the kinetics of coloration photodegradation. The samples were insolated using the device with mercury-tungsten lamp RF 1201 BS ("REFOND", China). Following the treatment and insolation, the general color differences of knitwear samples were determined in comparison with the non-treated material, using the TCR-200 colorimeter ("PCE Instruments", Germany). The effectiveness of the developed formulation for light stabilizers was confirmed in the study of the lightfastness of knitted fabrics such as pique weave, 1+1 eraser, smooth surface, dyed with active dyes of the brand Bezaktiv ("CHT Bezema", Czech Republic). The result of our study is the developed formulation of light stabilizers consisting of 2,4-dihydroxy benzophenone, a UV-absorber, and hydroquinone, an antioxidant, at concentrations of 2 and 1 % of the material weight, respectively, which ensures an increase in the lightfastness of cotton knitwear coloration by 52.9‒66.8 % regardless of weave and active dye
利用实验的数学规划,研制出一种光稳定剂配方,以提高棉织物着色的耐光性,用活性染料染色,从而生产出舒适、高质量的针织服装。根据拉丁立方的一阶格式,对实验结果进行了方差分析和因子分析,涉及光稳定剂种类及其浓度的变化。光稳定剂的应用工艺模式包括针织物的浸渍、干燥和材料的热固定。对于染色针织物样品,我们研究了光稳定剂对染色针织物颜色变化的个别影响以及颜色光降解动力学。样品使用RF 1201 BS(“REFOND”,中国)汞钨灯照射。在处理和日晒后,使用TCR-200色度计(“PCE Instruments”,德国)测定针织品样品与未处理材料的一般色差。通过对捷克Bezaktiv品牌(“CHT Bezema”,捷克)活性染料染色的针织物的耐光性研究,证实了所开发的光稳定剂配方的有效性。我们的研究结果是开发了光稳定剂配方,由2,4-二羟基二苯甲酮(一种紫外线吸收剂)和对苯二酚(一种抗氧化剂)组成,浓度分别为材料重量的2%和1%,可确保棉针织品染色牢度提高52.9 - 66.8%,无论织物和活性染料如何
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引用次数: 0
Advances in Electrospun Scaffolds Towards Meniscus: From Tissue Engineering to Repair and Regeneration 半月板电纺丝支架的研究进展:从组织工程到修复和再生
Pub Date : 2020-09-21 DOI: 10.2139/ssrn.3676763
Xiaoyun Wang, Changlei Xia, X. Mo, Jinglei Wu
The meniscus plays a critical role in maintaining the homeostasis, biomechanics, and structural stability of the knee joint. Unfortunately, it is predisposed to damages either from sports-related trauma or age-related degeneration. The meniscus has an inherently limited capacity for tissue regeneration. Self-healing of injured adult menisci only occurs in the peripheral vascularized portion, while the spontaneous repair of the inner avascular region seems never happens. Repair, replacement, and regeneration of menisci through tissue engineering strategies are promising to address this problem. Recently, many scaffolds for meniscus tissue engineering have been proposed for both experimental and preclinical investigations. Electrospinning is a feasible and versatile technique to produce nano- to micro-scale fibers that mimic the microarchitecture of native extracellular matrix and is an effective approach to prepare nanofibrous scaffolds for constructing engineered meniscus. Electrospun scaffolds are reported to be capable of inducing colonization of meniscus cells by modulating local extracellular density and stimulating endogenous regeneration by driving reprogramming of meniscus wound microenvironment. Electrospun nanofibrous scaffolds with tunable mechanical properties, controllable anisotropy, and various porosities have shown promises for meniscus repair and regeneration and will undoubtedly inspire more efforts in exploring effective therapeutic approaches towards clinical applications. In this article, we review the current advances in the use of electrospun nanofibrous scaffolds for meniscus tissue engineering and repair and discuss prospects for future studies.
半月板在维持膝关节的内稳态、生物力学和结构稳定性方面起着至关重要的作用。不幸的是,它容易因运动相关的创伤或年龄相关的退化而受损。半月板具有固有的有限的组织再生能力。成人半月板损伤的自我修复只发生在周围血管化部分,而内部无血管区似乎从未发生过自发修复。通过组织工程策略修复、替换和再生半月板有望解决这一问题。近年来,许多用于半月板组织工程的支架被提出用于实验和临床前研究。静电纺丝技术是一种可行的、通用的制备纳米到微尺度纤维的技术,可以模拟天然细胞外基质的微结构,是制备工程半月板纳米纤维支架的有效方法。据报道,电纺丝支架能够通过调节局部细胞外密度诱导半月板细胞定植,并通过驱动半月板伤口微环境的重编程刺激内源性再生。电纺丝纳米纤维支架具有力学性能可调、各向异性可控、孔隙率多样等特点,在半月板修复和再生方面具有广阔的应用前景,必将激发人们进一步探索有效的治疗方法,并将其应用于临床。本文就电纺纳米纤维支架在半月板组织工程和修复中的应用现状进行综述,并对未来的研究前景进行展望。
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引用次数: 1
Defects and Properties in Polymorph of ZnO ZnO晶型中的缺陷与性能
Pub Date : 2020-09-06 DOI: 10.2139/ssrn.3687642
Kenate Nemera
In this work, polymorphic models of the structures of ZnO is considered. We have studied the defects and defects behaviours in Wurtzite, zinc blende, and rocksalt ZnO by using first principles and quantum simulation methods. We used density functional theory (DFT) and molecular dynamics (MD) simulation methods to investigate the structural and electronic properties of defect ZnO.

For DFT calculations, a computer code within QUANTUM-ESPRESSO is used. Calculations of energies versus lattice constants display the optimum values of the lattice constants for crystal systems. Results are reported using a step-by-step approach, starting from the primitive cell of bulk ZnO, going to a slab model by including a surface charge defects. Generally, the behaviour of intrinsic defects in ZnO, electronic properties, formation energies and workfunction of ZnO were investigated. The effect of different surface absorbents and surface defects on the workfunction of ZnO were studied using DFT calculations. Anisotropy and optical properties of defects have also been studied.
在这项工作中,考虑了ZnO结构的多晶模型。利用第一性原理和量子模拟方法研究了纤锌矿、闪锌矿和岩盐ZnO的缺陷及其行为。利用密度泛函理论(DFT)和分子动力学(MD)模拟方法研究了ZnO缺陷的结构和电子特性。对于DFT计算,使用QUANTUM-ESPRESSO中的计算机代码。能量与晶格常数的计算显示了晶体体系晶格常数的最佳值。结果报告采用一步一步的方法,从块状ZnO的原始细胞开始,通过包括表面电荷缺陷到板模型。一般来说,研究了ZnO的本征缺陷行为、电子性质、形成能和功函数。采用DFT计算方法研究了不同表面吸收剂和表面缺陷对ZnO功函数的影响。研究了缺陷的各向异性和光学性质。
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引用次数: 0
Lattice Parameter of Cementite Phase in Pearlite Structure 珠光体结构中渗碳相的晶格参数
Pub Date : 2020-09-04 DOI: 10.2139/ssrn.3674208
N. Koga, L. Yin, O. Umezawa, Takayuki Yamashita, S. Morooka, T. Kawasaki, S. Harjo
The lattice parameter of cementite in a pearlite structure was measured using the in situ heating neutron diffraction method. The lattice parameters of the cementite phase of the b- and c- axes in the pearlite structure were smaller than those in the martensite structure and Reed’s results [3]. The lattice parameter of the a-axis in the pearlite structure was almost equal to that in the martensite structure and Reed’s results [3]. The thermal and misfit strains, caused by the differences between the thermal expansion rate and lattice parameter of the cementite and ferrite phases, should affect the lattice parameter of cementite in the pearlite structure.
采用原位加热中子衍射法测定了珠光体结构中渗碳体的晶格参数。珠光体组织中b轴和c轴渗碳体相的晶格参数小于马氏体组织和Reed的结果[3]。珠光体组织中a轴的晶格参数与马氏体组织和Reed的结果[3]中的晶格参数几乎相等。由于渗碳体和铁素体相的热膨胀率和晶格参数的差异而引起的热应变和错配应变会影响珠光体组织中渗碳体的晶格参数。
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引用次数: 0
Recent Advances in Light-Induced Cell Sheet Technology 光诱导细胞片技术的最新进展
Pub Date : 2020-09-02 DOI: 10.2139/ssrn.3674117
Zhiwei Jiang, Danji Zhu, Ke Yu, Yue Xi, Xiaozhao Wang, Guoli Yang
Various stimuli have been applied to harvest complete cell sheets, including temperature, magnetic, pH, and electrical stimuli. Cell sheet technology is a convenient and efficient approach with beneficial effects for tissue regeneration and cell therapy. Lights of different wavelengths, such as ultraviolet (UV), visible light, and near infrared ray (NIR) light, were confirmed to aid in fabricating a cell sheet. Changes in the wettability, potential, or water content of the culturing surfaces that occur under light illumination induce conformational changes in the adhesive proteins or collagens, which then leads to cell sheet detachment. However, the current approaches face several limitations, as few standards for safe light illumination have been proposed to date, and require a careful control of the wavelength, power, and irradiation time. Future studies should aim at generating new materials for culturing and releasing cell sheets rapidly and effectively.
已经应用了各种刺激来获得完整的细胞片,包括温度、磁、pH和电刺激。细胞片技术是一种方便、高效的组织再生和细胞治疗方法。不同波长的光,如紫外线(UV)、可见光和近红外线(NIR)光,被证实有助于制造细胞片。在光照下,培养表面的润湿性、电位或含水量的变化会引起粘附蛋白或胶原的构象变化,从而导致细胞片脱离。然而,目前的方法面临着一些限制,因为迄今为止提出的安全光照明标准很少,并且需要仔细控制波长,功率和照射时间。未来的研究应致力于开发快速有效地培养和释放细胞片的新材料。
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引用次数: 8
Surface Modification of the Black Phosphorus Based Nanomaterials in Biomedical Application: Strategies and Recent Advances 黑磷基纳米材料表面改性在生物医学中的应用:策略与最新进展
Pub Date : 2020-09-02 DOI: 10.2139/ssrn.3674137
Guodong Zeng, Yuping Chen
Black phosphorus based nanomaterials (BPNMs), an emerging member of two-dimensional (2D) nanomaterials, possess excellent physicochemical properties and hold a great potential for application in advanced nanomedicines. However, the bare BPNMs easily decrease their biomedical activities due to their degradability and in vivo interactions with biological macromolecules such as plasma proteins, largely restricting their biomedical application. A variety of surface modifications, via chemical, physical or biological approaches, have been developed for the BPNMs to avoid these limitations and achieve stable, long-lasting and safe therapeutic effects, thus enlighten the development of the multifunctional BPNMs for more practical application in the field of biomedicine. The present review summarizes the recent advances in the surface modification of the BPNMs and the resultant expansion of their biomedical applications. Focus is put on the strategy and method of the modifications. The future and challenge of the surface modification of the therapeutic BPNMs are finally discussed.
黑磷基纳米材料(BPNMs)是二维(2D)纳米材料的新兴成员,具有优异的物理化学性质,在先进的纳米药物中具有很大的应用潜力。然而,由于其可降解性和与血浆蛋白等生物大分子的体内相互作用,裸bpmms的生物医学活性容易降低,这在很大程度上限制了其生物医学应用。人们通过化学、物理或生物等多种途径对BPNMs进行表面修饰,以避免这些限制,达到稳定、持久和安全的治疗效果,从而为多功能BPNMs的开发提供了新的启示,使其在生物医学领域得到更多的实际应用。本文综述了近年来bpmms表面改性的研究进展及其在生物医学领域的应用。重点讨论了改革的策略和方法。最后讨论了治疗性bpmms表面改性的前景和面临的挑战。
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引用次数: 0
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