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A Molecular Dynamics-Informed Probabilistic Cross-Slip Model in Discrete Dislocation Dynamics 离散位错动力学中分子动力学信息的概率交叉滑移模型
Pub Date : 2021-01-01 DOI: 10.2139/ssrn.3603549
A. Malka-Markovitz, B. Devincre, D. Mordehai
Abstract We present here a quantitative study of dislocation cross-slip, an essential thermally activated process in deformation of metals, in discrete dislocation dynamics (DDD) simulations. We implemented a stress-dependent line-tension model in DDD simulations, with minimal information from molecular dynamics (MD) simulations. This model allows reproducing in DDD simulations the probabilistic cross-slip rate calculated in MD simulations for Cu in a large range of stresses and temperatures. The implementation of an atomically-scale accurate cross-slip model allows simulating more accurately phenomena such as deformation softening, dislocation-precipitate interaction and dislocation patterning in DDD simulations.
摘要本文在离散位错动力学(DDD)模拟中,对位错交叉滑移这一金属变形中必不可少的热激活过程进行了定量研究。我们在DDD模拟中实现了应力依赖的线张力模型,其中分子动力学(MD)模拟的信息最少。该模型允许在DDD模拟中再现在大范围应力和温度下Cu的MD模拟中计算的概率交叉滑移率。原子尺度的精确交叉滑移模型的实现可以更准确地模拟DDD模拟中的变形软化、位错-沉淀相互作用和位错模式等现象。
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引用次数: 5
Cyber-Physical System Enabled Digital Manufacturing of Nanocrystals: A Crystputer 信息物理系统支持的纳米晶体数字化制造:一个晶体
Pub Date : 2021-01-01 DOI: 10.2139/ssrn.3898779
Haitao Zhao, Wei Chen, Zhuo Wang, Zhehao Sun, Chensu Wang, Fuming Lai, Hao Huang, O. A. Moses, M. Adam, Zijian Chen, Yichuan He, C. Pang, Yang Lu, P. K. Chu, Z. Yin, Xuefeng Yu
Digital manufacturing of materials in a rational and designable strategy and is gaining popularity on the macro-scale . However, it is challenging to control the nanocrystal morphologies on a nano-scale. Herein, we introduce Crystputer as a state-of-the-art cyber- physical system , which will enable digital manufacture of nanocrystals through convergence of cyber and physical systems. In the cyber system, an all-programmable process with rational design including codes, working files, mathematic models, and databases is designed. In the physical system, controllable synthesis is achieved by synergistic coupling of robot-assisted synthesis and nanocrystal growth , which are benefited from the identified structure-directing agents on the macro-scale as triggers of the surface energy to control the morphology on the atomic-scale. Driven by the Crystputer efficiency, over 2,300 experiments are conducted autonomously together with in situ characterization to build up the Au nanocrystals genome. The genome architecture with logic gates is further designed for the Crystputer. It is demonstrated that the Crystputer can be trained as an experienced expert for retrosynthesis and scale-up synthesis of targeted Au nanorods by taking advantage of the machine learning prediction and logic computation. The sophisticated mechanism encompassing design-control-synthesis-characterization-computing-retrosynthesis enables this Crystputer to deliver unprecedented performance and efficiency for rational design, controllable synthesis, and retrosynthesis of target Au nanocrystals. The insights and new knowledge open an opportunity to enhance the feasibility of Crystputer for intelligent digital manufacturing of customized nanocrystals in order to facilitate the paradigm shift of data-driven materials innovation from ‘code’ to ‘nanocrystals’.
材料数字化制造是一种合理的、可设计的战略,在宏观上越来越受欢迎。然而,在纳米尺度上控制纳米晶体的形态是一个挑战。在此,我们介绍Crystputer作为最先进的网络物理系统,它将通过网络和物理系统的融合实现纳米晶体的数字化制造。在网络系统中,设计了包括代码、工作文件、数学模型和数据库在内的合理设计的全可编程过程。在物理系统中,通过机器人辅助合成和纳米晶体生长的协同耦合来实现可控合成,这得益于在宏观尺度上确定的结构导向剂作为表面能的触发器来控制原子尺度上的形态。在Crystputer效率的驱动下,超过2300个实验与原位表征一起自主进行,以建立金纳米晶体基因组。进一步为晶体机设计了带有逻辑门的基因组结构。实验证明,利用机器学习预测和逻辑计算的优势,Crystputer可以被训练成一个有经验的反合成和放大合成目标金纳米棒的专家。设计-控制-合成-表征-计算-反合成的复杂机制使该晶体能够为目标金纳米晶体的合理设计,可控合成和反合成提供前所未有的性能和效率。这些见解和新知识为提高Crystputer在定制纳米晶体智能数字化制造方面的可行性提供了机会,以促进数据驱动的材料创新从“代码”到“纳米晶体”的范式转变。
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引用次数: 0
A Review on 3D Photo in Painting Techniques 三维绘画技术综述
Pub Date : 2020-12-24 DOI: 10.2139/SSRN.3781302
Ayana T. K, Binoy K. P.
3D In painting is a method for changing a 2D picture over to a3D photograph and saving the harmed, debilitating, or missing regions of the photograph by filling it into a perfect image. The principal issue in this cycle happens when making the profundity map, recognizing the missing segments, filling the missing bits utilizing fitting filling techniques. These issues are fundamental and regular in 3D photograph in painting procedures. So the fundamental point of this review is recognizing each progression in 3D in painting procedures and distinguishing their disappointment cases. Numerous strategies utilize different pictures as information and numerous techniques utilize a single picture as input sources.
3D绘画是一种将2D图像转换为3D照片并通过填充成完美图像来保存照片中受损,衰弱或缺失的区域的方法。这个循环的主要问题发生在制作深度图,识别缺失的部分,使用拟合填充技术填充缺失的部分。这些问题在三维摄影的绘画过程中是基本的和有规律的。因此,本综述的基本观点是认识到3D绘画过程中的每一个进展,并区分他们的失望情况。许多策略利用不同的图片作为信息,许多技术利用单个图片作为输入源。
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引用次数: 0
Current State of Appliance Zirconium Dioxide in Bioengineering 二氧化锆在生物工程中的应用现状
Pub Date : 2020-11-30 DOI: 10.21303/2585-6847.2020.001509
O. Morozova, E. Gevorkyan
This descriptive review presents current knowledge about the bioengineering use of a zirconium dioxide, the advantages and disadvantages of the material, and the prospects for research in this direction. The work reflects the success of the practical application of the zirconium dioxide as a material for dental structures and biological implants. Such practical characteristics, such as color-stability, chemical stability, good aesthetics, biocompatibility and durability, allowed to actively use the zirconium dioxide as a material for producing various dental structures. In comparison with other ceramics, the presence of high-performance of strength and fracture toughness of the zirconium dioxide enables the use of this material as an alternative material for the reconstructions in the readings with considerable loads. High hardness determines the zirconium dioxide as an excellent material for articular prostheses, because of its hardness, provides a low level of wear and excellent biocompatibility. However, along with positive characteristics, a widespread practical problem of using the zirconium dioxide in dentistry is a chip or fracture of veneering ceramics. It has also been reported that there is a shortage of orthopedic implants such as hydrothermal stability. The solution of such problems is indicated and the use of composite materials based on the zirconium dioxide, which allows to solve a similar problem, as well as to increase the service life and reliability of orthopedic implants by providing a higher fracture toughness and mechanical strength. The existence of such composite materials based on the zirconium dioxide provides a significant increase in the wear resistance of orthopedic implants, which is essential for successful prosthetics
这篇描述性的综述介绍了二氧化锆生物工程应用的最新知识,该材料的优缺点,以及该方向的研究前景。这项工作反映了二氧化锆作为牙科结构和生物植入材料的实际应用的成功。这些实用的特性,如颜色稳定性、化学稳定性、良好的美观性、生物相容性和耐用性,使二氧化锆积极地用作制造各种牙齿结构的材料。与其他陶瓷相比,二氧化锆具有高性能的强度和断裂韧性,可以作为具有相当大载荷的读数重建的替代材料。高硬度决定了二氧化锆作为关节假体的优良材料,因为它的硬度,提供了低水平的磨损和良好的生物相容性。然而,除了积极的特性外,在牙科中使用二氧化锆的一个广泛的实际问题是贴面陶瓷的切屑或断裂。也有报道说,有短缺的矫形植入物,如热液稳定性。本文指出了解决这些问题的方法,并使用了基于二氧化锆的复合材料,可以解决类似的问题,并通过提供更高的断裂韧性和机械强度来增加骨科植入物的使用寿命和可靠性。这种基于二氧化锆的复合材料的存在为骨科植入物的耐磨性提供了显著的提高,这是成功的假肢所必需的
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引用次数: 0
Radiation-Induced Swelling and Precipitation in Fe ++ Ion-Irradiated Ferritic/Martensitic Steels fe++离子辐照铁素体/马氏体钢中辐射诱导的溶胀和析出
Pub Date : 2020-11-09 DOI: 10.2139/ssrn.3726291
M. Lee, Yunsong Jung, Sangjoon Ahn
The radiation responses of two newly developed ferritic/martensitic steels, FC92-B and -N, were tested in comparison to reference alloys HT9 and Gr.92. Ion irradiations on the steels were performed up to 480 dpa at 475 °C using 3.5-MeV Fe++ ions with a helium pre-implantation of 1 appm/dpa. Void swelling and M2X precipitation were characterized using FE-TEM and EDS. Swelling resistance was the greatest in FC92-N, which showed suppressed void nucleation and growth. The swelling rate in FC92-N was determined as 0.007 %/dpa, indicating that FC92-N did not reach the steady-state swelling regime with void nucleation behavior. The least swelling-resistant alloy was HT9 with a swelling rate of 0.038 %/dpa. Cr-rich carbide, M2X, was observed in only 9Cr-FC92 series; however, its formation did not depend on radiation damage. This exceptional M2X evolution in FC92 series may be attributed to B and N alloying, which resulted in suppressed M23C6 carbide formation during metallurgical production and sequentially high C contents in the alloy solution of FC92 series. A narrower range (800 nm) of M2X evolution compared to that of cavity formation (1,000 nm) indicates that radiation-induced precipitation (RIP) is sensitive to the injected interstitial effect. Precipitation-induced Cr depletion and preferential interstitial outward sinking to the free surface synergistically modified local chemical composition before void evolution and led to double-peak swelling by locally forming a low-alloyed zone. This study provides the first experimental evidence that RIP modifies the swelling–depth profiles and in turn, determines double-peak swelling in ion-irradiated steels.
研究了两种新开发的铁素体/马氏体钢FC92-B和-N的辐射响应,并与参考合金HT9和Gr.92进行了比较。在475℃下,采用3.5 mev Fe++离子对钢进行了高达480 dpa的离子辐照,氦预注入量为1 appm/dpa。利用FE-TEM和EDS对气孔膨胀和M2X析出进行了表征。FC92-N的抗膨胀性最大,抑制了空洞的形核和生长。测定了FC92-N的溶胀率为0.007% /dpa,表明FC92-N未达到具有空洞成核行为的稳态溶胀状态。抗膨胀率最低的合金是HT9,膨胀率为0.038% /dpa。富cr碳化物M2X仅在9Cr-FC92系列中存在;然而,它的形成并不取决于辐射损伤。这种异常的M2X演化可能是由于B和N的合金化,导致在冶金生产过程中M23C6碳化物的形成受到抑制,从而导致FC92系列合金溶液中C含量较高。M2X的演化范围(800 nm)较空腔形成(1000 nm)窄,表明辐射诱导沉淀(RIP)对注入的间隙效应敏感。析出引起的Cr损耗和优先向自由表面下沉的间隙在空洞形成之前协同改变了局部化学成分,并通过局部形成低合金化区导致双峰膨胀。本研究提供了第一个实验证据,表明RIP改变了膨胀深度分布,进而决定了离子辐照钢的双峰膨胀。
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引用次数: 0
Strain, Stress and Stress Relaxation in Oxidized Zrcual-Based Bulk Metallic Glass 氧化锆基大块金属玻璃的应变、应力和应力松弛
Pub Date : 2020-11-01 DOI: 10.2139/ssrn.3639770
S. Haratian, F. Niessen, F. Grumsen, M. Nancarrow, E. Pereloma, M. Villa, T. Christiansen, M. Somers
Abstract Surface engineering of Zr51.3Al8.5Cu31.3Ni4Ti4.9 bulk metallic glass (BMG) by gaseous oxidizing below the glass-transition temperature is investigated as a means to introduce compressive residual stress in the surface region. The ZrCuAl-based BMG was exposed to an extremely low oxygen partial pressure of 10−41 bar at 600 K for 60 h. The oxidizing treatment led to the formation of an internal oxidation zone, consisting of finely dispersed nano-crystalline cubic ZrO2 (c-ZrO2), metallic regions inclined with the surface and Cu-hillocks at the surface. The stresses introduced by the volume expansion associated with oxidation were evaluated from i) the lattice strains within c-ZrO2, as determined with an X-ray diffraction (XRD) based method, and ii) strain-relaxation as a response to annular focused ion beam (FIB) milling, as monitored with digital image correlation (DIC). XRD analysis yielded -1.5 GPa (compressive stress) in the nano-crystalline c-ZrO2, while the strain relaxation monitored with FIB-DIC analysis indicated compressive residual stresses of −1.4 GPa in the internal oxidation zone. The strains and stresses determined with the independent measurement methods are discussed. The quantitative macro-strains are discussed in relation to the microstructural features and stress relaxation mechanisms during evolution of the internal oxidation zone.
摘要:研究了Zr51.3Al8.5Cu31.3Ni4Ti4.9大块金属玻璃(BMG)在玻璃化温度以下进行气态氧化的表面工程,作为在表面区域引入压残余应力的手段。zrcual基BMG在600 K、10−41 bar的极低氧分压下氧化60 h。氧化处理导致内部氧化区形成,由分散的纳米立方ZrO2 (c-ZrO2)、与表面倾斜的金属区和表面的cu丘组成。由氧化引起的体积膨胀引起的应力由以下两方面来评估:1)用基于x射线衍射(XRD)的方法确定的c-ZrO2内部的晶格应变;2)用数字图像相关(DIC)监测的环形聚焦离子束(FIB)铣削时的应变松弛。XRD分析显示,纳米晶c-ZrO2的压应力为-1.5 GPa,而FIB-DIC分析显示,内部氧化区残余压应力为- 1.4 GPa。讨论了用独立测量方法测定的应变和应力。讨论了内部氧化区演化过程中微观组织特征和应力松弛机制的定量宏观应变。
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引用次数: 6
Determining the Effective Indicators of a Rotary-Piston Motor Operation 确定旋转活塞马达运行的有效指标
Pub Date : 2020-10-23 DOI: 10.15587/1729-4061.2020.211425
O. Mytrofanov, A. Proskurin, Andrii Poznanskyi
This paper reports the results of an experimental study of the prototype rotary-piston air motor RPD-4,4/1,75 in the form of speed characteristics. The maxima of the air motor's performance effective indicators have been determined, as well as the rotation change ranges that correspond to them. It has been established that for the intake receiver's air pressure change range within 0.4...0.8 MPa the maximum value of effective power is 1.7...2.5 kW. In this case, the maximum value of the torque and mean effective pressure for a given pressure range in the intake receiver is 17.0...18.2 N∙m and 0.13...0.18 MPa, respectively. The dependence has been derived of the hourly air consumption on the rotations and pressure in the intake receiver. Depending on the test mode, the hourly air consumption is within 25…226 kg/hour. It has been established that the minimum values of the specific effective air consumption correspond to 800...1,000 rpm. Thus, for a maximum value of air pressure in the intake receiver of 0.8 MPa, the specific effective consumption is 60.8...93.2 kg/(kW∙h), for the minimum value of 0.4 MPa – 49.7...81.3 kg/(kW∙h). The potential of the adiabatic expansion capacity has been determined, brought to the air motor, as well as the effective adiabatic efficiency. The maximum efficiency of the air motor corresponds to 800...1,000 rpm. In this case, the maximum efficiency value was achieved at a pressure in the intake receiver of 0.4 MPa; it is 0.41. The dependences have been derived of the change in the pressure of spent air in the exhaust receiver, the maximum value of which does not exceed 0.075 MPa
本文以转速特性的形式对rpd -4,4/1,75旋转柱塞式空气马达样机进行了实验研究。确定了气动马达性能有效指标的最大值,以及与之对应的旋转变化范围。实验结果表明,进气接收机气压变化在0.4 ~ 0.8 MPa范围内,有效功率最大值为1.7 ~ 2.5 kW。在这种情况下,进气接收器在给定压力范围内的扭矩和平均有效压力的最大值分别为17.0…18.2 N∙m和0.13…0.18 MPa。导出了每小时空气消耗量与进气接收器内的旋转和压力的关系。根据测试模式的不同,每小时的空气消耗量在25…226公斤/小时之间。确定了比有效耗气量的最小值对应于800…1000 rpm。因此,当进气系统气压最大值为0.8 MPa时,比有效消耗量为60.8…93.2 kg/(kW∙h),当进气系统气压最小值为0.4 MPa时,比有效消耗量为49.7…81.3 kg/(kW∙h)。确定了空气马达的潜在绝热膨胀能力,以及有效绝热效率。空气马达的最高效率相当于800…1000 rpm。在这种情况下,最大效率值是在进气接收器的压力为0.4 MPa;是0.41。导出了排气接收器中废空气压力变化的相关性,其最大值不超过0.075 MPa
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引用次数: 2
Identification and Analysis of Multiple Factors Controlling Solar-Driven H 2O 2 Synthesis Using Engineered Polymeric Carbon Nitride 控制工程聚合氮化碳太阳能合成h2o的多因素识别与分析
Pub Date : 2020-09-21 DOI: 10.2139/ssrn.3606779
Yubao Zhao, Jingyu Gao, Lina Li, Sheng Chen, Chun Hu, W. Choi
Solar-driven hydrogen peroxide (H2O2) production presents unique merits of sustainability and environmental friendliness. Herein, highly efficient solar-driven H2O2 production through dioxygen reduction is achieved by employing polymeric carbon nitride (PCN) framework with sodium cyanaminate moiety (PCN-NaCA), affording a superior H2O2 production rate of 175 μmol/h on 10 mg photocatalyst and a notable apparent quantum yield of 27.6% at 380 nm. The overall photocatalytic transformation process is systematically analyzed using various steady-state/transient spectroscopic and computational methods. The presence of sodium cyanaminate moiety in PCN-NaCA induces the following multiple effects: enhancing photon absorption, creating the coexistence of p-type and n-type domains, strengthening surface adsorption of dioxygen, and favoring highly selective 2e− ORR. In particular, the adsorption of dioxygen on PCN-NaCA enhances the population and lifetime of trapped electrons in the ps-ns time regime, which should have a notable synergic effect on oxygen reduction process.
太阳能驱动的过氧化氢(H2O2)生产具有可持续性和环境友好性的独特优点。本研究采用含氰胺酸钠(PCN- naca)的聚合物氮化碳(PCN)框架,在10 mg光催化剂上,H2O2的产率达到175 μmol/h,在380 nm处的表观量子产率达到27.6%。利用各种稳态/瞬态光谱和计算方法系统地分析了整个光催化转化过程。氰胺酸钠片段在PCN-NaCA中的存在诱导了以下多重效应:增强光子吸收,创造p型和n型结构域的共存,增强双氧的表面吸附,并有利于高选择性的2e - ORR。特别是,双氧在PCN-NaCA上的吸附提高了ps-ns时间域的捕获电子的居数和寿命,这应该对氧还原过程有显著的协同作用。
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引用次数: 0
Behavior Analysis of a Screw Plant 某螺杆厂行为分析
Pub Date : 2020-09-04 DOI: 10.2139/ssrn.3686514
Arun Kumar
This paper presents a novel research study of the behavior analysis regarding failure/repair rates of subunits of a screw plant system comprising various of subunits of varying manufacturing nature. A screw plant consists of four subsystems such as Heading (A), Slotting (B), Threading (C), and Polishing Machine (D). These units arranged in the arrangement. Furthermore, these papers viably utilize the regenerative point technique and deliver consistent failure /repair rates.
本文提出了一项关于由不同制造性质的各种子单元组成的螺旋工厂系统的子单元的故障/修理率的行为分析的新研究。螺杆厂由打头(A)、开槽(B)、穿线(C)和抛光机(D)四个子系统组成。这些单元排列在布局中。此外,这些论文可行地利用再生点技术,并提供一致的故障/修复率。
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引用次数: 0
Graded Microstructure and Texture in Ultrafine Grained Multi-Layered Immiscible Bimetallic System 超细晶多层非混相双金属体系的渐变组织与织构
Pub Date : 2020-09-01 DOI: 10.2139/ssrn.3606802
K. Dash, K. U. Yazar, K. Chattopadhyay, S. Suwas
Abstract In this investigation we report the formation of a graded microstructure in copper/tantalum ultrafine grained (UFG) multi-layered composite fabricated by cross accumulative roll bonding (CARB) process at high temperatures. The microstructure, micro-texture and bulk texture evolution in the copper/tantalum composite was established. A gradient microstructure develops along the thickness of the specimen during the CARB process. The fragmentation of tantalum in between copper layers and the grain refinement with evolving passes has been explained. The deformed copper layers show rotated cube texture and deformed tantalum layers show cube texture with γ-fibre. The overall texture of copper/tantalum composite weakens after the process of ARB; copper undergoing texture randomization post annealing. The crucial role of interfaces on the evolution of texture is demonstrated. The microstructural gradient in the specimen possess equiaxed, lamellar as well as large deformed grains with tantalum's grain size being in the scale of 200 nm. The correlation of microstructural gradient with orientation relationship (OR) between copper and tantalum layers was studied, confirming higher misorientation in OR at regions under high strain. Dynamic recrystallization taking place at the copper/tantalum interface has been elaborated with the aid of microtexture analysis.
摘要:本文报道了高温下交叉累积辊键合(CARB)工艺制备的铜/钽超细晶(UFG)多层复合材料中渐变微观结构的形成。建立了铜/钽复合材料的显微组织、微观织构和体织构演变规律。在CARB过程中,沿试样厚度形成梯度微观结构。解释了钽在铜层间的碎裂和随着道次演化而产生的晶粒细化。变形后的铜层呈旋转立方体织构,变形后的钽层呈γ-纤维的立方体织构。经ARB处理后,铜/钽复合材料整体织构减弱;退火后进行织构随机化的铜。说明了界面对织构演化的重要作用。试样的显微组织梯度具有等轴、片层和大变形晶粒,钽的晶粒尺寸在200 nm左右。研究了微观结构梯度与铜和钽层取向关系(OR)的相关性,证实了在高应变下,铜和钽层之间的取向关系存在较大的错取向。借助显微织构分析,对铜/钽界面发生的动态再结晶进行了阐述。
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引用次数: 0
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Materials Processing & Manufacturing eJournal
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