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Stability and energetics of two-dimensional surface crystals in liquid AuSi thin films and nanoscale droplets

Physical Review Materials 2021年第7期5卷 074003-074003页

作者： Hailong Wang Mengyuan Wang Alireza Shahabi Alain Karma Moneesh Upmanyu CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern Mechanics CAS Center for Excellence in Complex System Mechanics University of Science and Technology of China Hefei Anhui 230027 China Group for Simulation and Theory of Atomic-Scale Material Phenomena (stAMP) Department of Mechanical and Industrial Engineering Northeastern University Boston Massachusetts 02115 USA Department of Physics Northeastern University Boston Massachusetts 02115 USA

We employ atomic-scale computational frameworks to study the surface crystallization in AuSi films and droplets as a function of composition, temperature, and size. Above the melting point, the surfaces of both thin films and droplets undergo a first-order transition from a two-dimensional (2D) Au2Si crystalline phase to a laterally disordered yet stratified layer. The thin film surfaces exhibit an effective surface tension that increases with temperature and decreases with Si concentration, while for droplets in the size range 10–30 nm, the bulk Laplace pressure alters the surface segregation as it occurs with respect to a strained bulk. Above the transition, the size effect on the surface tension due to the stratified surface layer is small, while the crystalline surface layer below the transition is strained and composed of 2D crystallites separated by extended grain boundary scars that lead to large fluctuations in its energetics. As a specific application, all-atom simulations of AuSi droplets on Si(111) substrate subject to Si surface flux show that the supersaturation dependent surface tension destabilizes the contact line via formation of a precursor wetting film on the solid-vapor interface and has ramifications for size selection during droplet-catalyzed routes for nanowire growth. Our study sheds light on the interplay between stability and energetics of surfaces in this unique class of binary alloys and offers pathways for exploiting their surface structure for varied applications such as catalytic nanocrystal growth, dealloying, and polymer crystallization.

关键词： Crystal forms Growth Interface & surface thermodynamics Nanocrystals Structural phase transition 2-dimensional systems Surfaces Molecular dynamics

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Infrared image deturbulence restoration using degradation parameter-assisted wide & deep learning

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Infrared Physics & Technology 2025年 150卷

作者： Yi Lu Yadong Wang Xingbo Jiang Xiangzhi Bai Image Processing Center Beihang University Beijing 102206 China The State Key Laboratory of Virtual Reality Technology and Systems Beihang University Beijing 100191 China Beijing Advanced Innovation Center for Biomedical Engineering Beihang University Beijing 100083 China Key Laboratory of Spacecraft Design Optimization and Dynamic Simulation Technology Ministry of Education Beihang University Beijing 102206 China

Infrared images captured under turbulent conditions are often degraded by complex geometric distortions and blurring, which substantially compromise image clarity and subsequent analysis. In this paper, we recast the infrared deturbulence problem as a more general image restoration task and propose a parameter assisted image restoration method that leverages degradation prior information from the turbulent infrared images. Specifically, we propose an ingenious and efficient multi-frame image restoration network (DparNet) with wide & deep architecture, which integrates degraded images and prior knowledge of degradation to reconstruct images with ideal clarity and stability. The degradation prior is directly learned from degraded images in form of key degradation parameter matrix, with no requirement of any off-site knowledge. The wide & deep architecture in DparNet enables the learned parameters to directly modulate the final restoring results, boosting spatial & intensity adaptive image restoration. We demonstrate the proposed method on infrared image deturbulence by constructing a dedicated dataset of 49,744 images to rigorously evaluate its performance under challenging turbulence degradation. To further validate the generality of our approach, a supplementary visible image denoising experiment was also conducted on a larger dataset containing 109,536 images. The experimental results show that our DparNet significantly outperform SoTA methods in restoration performance and network efficiency. More importantly, by utilizing the learned degradation parameters via wide & deep learning, we can improve the PSNR of image restoration by 0.6 ∼ 1.1 dB with less than 2% increasing in model parameter numbers and computational complexity. Our work suggests that degraded images may hide key information of the degradation process, which can be utilized to boost spatial & intensity adaptive image restoration.

关键词： Degradation prior Infrared image deturbulence Parameter-assisted restoration Wide and deep network

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design and fusion deposit modelling of radial flow centrifugal pump

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Materials Today: Proceedings 2020年 33卷 3497-3503页

作者： T. Micha Premkumar Vootla Pushpak K. Vamsi Krishna D. Govardhan Reddy Naga Sudheer Kumar V. Hariram S. Seralathan R.S. Nakandhrakumar Department of Mechanical Engineering Hindustan Institute of Technology and Science Padur Chennai Tamil Nadu India Department of Aeronautical Engineering Hindustan Institute of Technology and Science Padur Chennai Tamil Nadu India Center for Simulation and Engineering Design Hindustan Institute of Technology and Science Padur Chennai Tamil Nadu India

Fusion Deposit Modeling (FDM) is a 3D Printing method which builds layer–by-layer of a component by the melting and deposition of plastic through the moving nozzle. Any complex shape which is not possible by convention fabrication technique can be fabricated using this technique. Moreover, this technique allow the innovator to develop the prototype much faster than the convention method. The complex shape prototype that chosen in this work is the radial flow centrifugal pump and it is the most common and widely used kinetic energy pump. The digital model of the centrifugal pump was prepared using the solidworks. The different component of the centrifugal pump like impeller, casing, suction and shaft also modeled and assembled. The design details of the impeller of the pump and casing is arrived after careful design calculation and it is prepared in such a way to have more efficiency of converting energy in the impeller. The impeller blades, shape, number of blades are arrived based on the total head and discharge. These impeller, suction, casing and shaft all are fabricated by using the FDM of 3D printer using ABS Plastic. The design plays a major role in preparing the centrifugal pump impeller and other components. The fabricated component should be matched accurately while assembly. Moreover, the components fabricated using the rapid prototyping solve the purpose when compare to the other conventional methods. Moreover this FDM technique is successfully benefited in manufacturing light weight prototype, tooling and creating customized design. However, the quality of prototype developed through this technique is relatively lower than the other formative or subtractive technique. This challenges in this technique is addressed by analyzing the microscopic structure of the ABS plastic and presented in this paper.

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Interplay between electron localization, magnetic order, and Jahn-Teller distortion dictates LiMnO2 phase stability

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Physical Review B 2025年第24期111卷 245132-245132页

作者： Ronald L. Kam Luca Binci Aaron D. Kaplan Kristin A. Persson Nicola Marzari Gerbrand Ceder Department of Materials Science and Engineering University of California Berkeley Berkeley California USA Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley California USA Theory and Simulation of Materials (THEOS) and National Center for Computational Design and Discovery of Novel Materials (MARVEL) École Polytechnique Fédérale de Lausanne CH-1015 Lausanne Switzerland

The development of manganese (Mn)-rich cathodes for Li-ion batteries promises to alleviate potential supply chain bottlenecks in battery manufacturing. Fundamental challenges in Mn-rich cathodes arise from phenomena such as structural changes due to cooperative Jahn-Teller (JT) distortions of Mn3+ in octahedral environments, Mn migration, and phase transformations to spinel-like order, all of which affect the electrochemical performance. These physically complex phenomena motivate an ab initio re-examination of the Li-Mn-O rock-salt space, with a focus on the thermodynamics of the prototypical, LiMnO2 polymorphs. It is found that the generalized gradient approximation (GGA-PBEsol) and meta-GGA (r2SCAN) density functionals with empirically fitted on-site Hubbard U corrections yield spurious stable phases for LiMnO2, such as predicting a phase with γ−LiFeO2-like order (γ−LiMnO2) to be the ground state instead of the orthorhombic (Pmmn) phase, which is the experimentally known ground state. Accounting for antiferromagnetic order in each structure is shown to have a substantial effect on the total energies and resulting phase stability. By using hybrid-GGA (HSE06) and GGA with self-consistent Hubbard parameters (on-site U and inter-site V) calculated from linear response theory, the experimentally observed LiMnO2 phase stability trends are recovered. The calculated on-site U between Mn-3d states in the experimentally observed orthorhombic, layered, and spinel phases are significantly smaller than U in γ−LiMnO2 and disordered layered structures, by 0.5–0.6eV within GGA. The smaller values of U are shown to be correlated with a collinear ordering of JT distortions, in which all eg orbitals are oriented in the same direction. This cooperative JT effect can lead to greater electron delocalization from Mn along the eg states due to increased Mn-O covalency, which contributes to the greater electronic stability compared to the phases with noncollinear JT arrangements. The str

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Adaptive Event-Triggered Attitude Tracking Control for Spacecraft

Adaptive Event-Triggered Attitude Tracking Control for Space...

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IEEE International Conference on Control Science and Systems engineering (CCSSE)

作者： Zijie Lin Guoping Lu Wang Lv Baolin Wu System Design and Simulation Laboratory Shanghai Institute of Satellite Engineering Shanghai People’s Republic of China Research Center of Satellite Technology Harbin Institute of Technology Harbin People’s Republic of China

ISBN: (数字)9781728198460

ISBN: (纸本)9781728198477

An adaptive attitude tracking control law based on an event-triggered control strategy is proposed to discuss the problem of plug-and-play satellite attitude tracking maneuvers with limited data transmission among independent models. In this scheme, the controller is updated aperiodically only in the case that a designed event-triggered condition is satisfied, so unnecessary communication among modules can be avoided and the sampling frequency is optimized. Also, the control problem is under the condition of inaccurate knowledge of inertial matrix. Considering the uncertainty of system parameter, inertia matrix, an adaptive control is used to avoid using the real value of inertia matrix. The proposed control scheme not only ensure stability of attitude tracking closedloop control system but also a positive lower bound between adjacent triggered instant to avoid Zeno behavior. Finally, the numerical simulation results verify the effectiveness of the designed controller.

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Changes of Nitrogen and Phosphorus Removal Pattern Causing by Alternating Aerobic/Anoxia from the Perspective of Microbial Characteristics

SSRN

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SSRN 2022年

作者： Yao, Kai Huang, Xiao Dong, Wenyi Wang, Fupeng Liu, Xueyong Yan, Yu Qu, Yanhui Fu, Yicheng Collaborative Innovation Center of Atmospheric Environment and Equipment Technology Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control School of Environmental Science and Engineering Nanjing University of Information Science & Technology Nanjing210044 China Shenzhen518055 China Northeast China Municipal Engineering Design and Research Institute Co Ltd Jilin130021 China Urban and Rural Water Environment Technology R&D Center China Communications Construction Co Ltd Jilin130021 China China Urban and Rural Holdings Group Co Ltd Beijing100029 China State Key Laboratory of Simulation and Regulation of River Basin Water Cycle China Institute of Water Resources and Hydropower Research Beijing100038 China

To investigate the effect of alternating aerobic/anoxic (A/O) on pollutant removal performance and microbial community structure, three sequencing batch reactors (SBR) processes with different alternating A/O times were set up. The results showed that alternating A/O was beneficial for organic matter degradation and promote nitrogen (N) and phosphorus (P) removal performance, and the removal efficiencies of chemical oxygen demand (COD), ammonia nitrogen (NH4+-N), total nitrogen (TN), and total phosphorus (TP) increased 3.41%, 4.76%, 3.51%, and 6.27%, respectively. Besides, alternating A/O affected the dominant microbial community relative abundance (Proteobacteria and Bacteroidetes) and increased microbial richness and diversity. It also increased the relative abundance of aerobic denitrifying, heterotrophic nitrifying, and denitrifying phosphorus removal bacteria to change N and P removal patterns. Furthermore, the abundance of carbohydrate metabolism and amino acid metabolism were improved by alternating A/O to improve organic matter and TN removal. © 2022, The Authors. All rights reserved.

关键词： Chemical oxygen demand

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A 3D-printed microfluidic device for fabricating the soft, hollow, double-network magnetic microrobots

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Microchemical Journal 2025年 215卷

作者： Jialin Wu Jie Wang Shanshan Xu Ruiping Zou Aibing Yu Minsu Liu Sheng Yan Institute for Advanced Study Shenzhen University Shenzhen 518060 China ARC Research Hub for Smart Process Design and Control Department of Chemical and Biological Engineering Monash University Clayton Victoria 3800 Australia Centre for Simulation and Modelling of Particulate Systems Southeast University Suzhou 215000 China Research Center for Smart Process Engineering Great Bay University Dongguan 523000 China Monash Suzhou Research Institute (MSRI) Monash University Suzhou 215000 China

Endovascular intervention has transformed minimally invasive surgery but faces challenges in device stiffness, navigability, and safety. Existing magnetic soft robots, while promising, often risk incomplete retrieval or lack structural adaptability for controlled drug delivery. Here, we present a 3D-printed microfluidic strategy to fabricate a hollow magnetic soft robot (HMSR) with a double-network hydrogel structure (ionically crosslinked sodium alginate and photopolymerized PEG-diacrylate) and customized magnetic particle distribution. The HMSR exhibits ultralow stiffness (2–3 orders of magnitude lower than commercial guidewires), tunable mechanical properties via component concentration and UV exposure, and hollow architecture for drug loading. A magnetic navigation platform enables precise maneuvering through complex vascular models (achieving ± 135° bending angles) and multi-path selection, with full retrieval capability to mitigate embolism risks. Drug release kinetics demonstrate rapid initial release (30-min burst phase) followed by sustained release (60-min maintenance), ideal for thrombolytic or chemotherapeutic applications. This work advances magnetic soft robotics for safer endovascular therapies.

关键词： Double network hydrogel Drug deliver Magnetic soft robot Microfluidics

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Effect of adding grinded sintering powder ore on pellet quality of belt roasting machine

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China Metallurgy 2024年第2期34卷 35-41and95页

作者： Zhi, Qian Zhang, Fuming Han, Zhiguo Zhang, Weihua Beijing Shougang International Engineering Technology Co. Ltd. Beijing100043 China Beijing Metallurgical 3-D Simulation Design Engineering Technology Research Center Beijing100043 China Shougang Group Co. Ltd. Beijing100041 China

In order to give full play to the advantages of raw material strong adaptability of the belt roasting machine and reduce the production cost of pellets, the coarse sintering powder ore was treated to a certain particle size and moisture by closed-circuit grinding process, and used in combination with magnetite concentrate as raw material for pelletizing production. The influence of green ball and roasted ball on the pellet production line of belt roasting machine was investigated through industrial test. The test results show that when the proportion of MAC fines is less than 30%, it can be ensured that the proportion of fine grinding particle with size less than 0. 074 mm (200 mesh) is more than 90%, and the water content of filter cake is less than 9%, which can meet the raw material requirements of pellet production. The drop times and compressive strength of green ball are enhanced with the increasing of grinded-fine ratio. The addition of grinded-fine can reduce the amount of bentonite and improve the iron grade of pellets. The addition of grinded-fine will reduce the compressive strength of roasted ball, but has no obvious effect on the reduction degree and low temperature reduction pulverization rate. In summary, an ideal ore blending scheme is that SFCJ powder, SSFS powder and MAC powder are mixed at the ratio of 4: 3: 3 and filtered, and then the grinded-fine obtained is added to the pellet raw materials at the ratio of 40%, which can reduce the production cost of pellet. © 2024 Editorial Office of China Metallurgy. All rights reserved.

关键词： Ore sintering

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Ēngines of Ēternity: An Artistic Inquiry into Space Settlement Ideology Using Rotifer Experiments on Board the ISS 73

Ēngines of Ēternity: An Artistic Inquiry into Space Settle...

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73rd International Astronautical Congress, IAC 2022

作者： Vermeulen, Angelo C.J. Maranan, Diego Steyaert, Pieter Versbraegen, Nassim Peeters, Ann Verschuren, Jeroen Wan, Arise Pereira, Frederico D.A.S. Faber, Nils Mirzada, Fattana Hespeels, Boris Van Doninck, Karine Systems Engineering and Simulation Faculty of Technology Policy and Management Delft University of Technology Jaffalaan 5 Delft2628 BX Netherlands Faculty of Information and Communication Studies University of the Philippines Open University Laguna Los Baños Philippines Department of Training and Education Sciences University of Antwerp Sint-Jacobstraat 2 Antwerp2000 Belgium Department of Astrophysics and Planetary Science Niels Bohr Institute University of Copenhagen Blegdamsvej 17 Copenhagen2100 Denmark Machine Learning Group Université Libre de Bruxelles boulevard du Triomphe Brussels1050 Belgium Interuniversity Institute of Bioinformatics in Brussels Université Libre de Bruxelles Vrije Universiteit Brussel Boulevard du Triomphe Brussels1050 Belgium Department of Design & Technology Erasmus Brussels University of Applied Sciences and Arts Nijverheidskaai 170 Brussels1070 Belgium Center for Social and Cultural Psychology KU Leuven Tiensestraat 102 Leuven3000 Belgium University of Namur Namur Belgium Research Unit of Molecular Biology and Evolution Université Libre de Bruxelles Avenue F.D. Roosevelt 50 Brussels1050 Belgium

Ēngines of Ēternity is a transdisciplinary project that takes the biological phenomena of cloning and DNA repair as metaphorical departure points for an art installation about humanity's enthrallment with cultural immortality. Cultural immortality has long fascinated humankind, with such diverse examples as Ancient Egypt, the Roman Empire, Hindu kingdoms, and Mayan civilization, all assuming perpetuity through monumental works in art and architecture. This aspiration of cultural immortality is also deeply embedded in the imaginary of space exploration. Space settlements are often presented as the culmination of technological and cultural evolution. However, the quest for cultural immortality is often imbued with conflict because of convictions of superiority and impulses of colonialism, and this will be no different in outer space. Ēngines of Ēternity explores these human tendencies through the lens of the smallest animals on Earth, rotifers. On the surface, rotifers seem an unchanging biological culture, perfected through evolution, cloning itself endlessly, and surviving extreme conditions such as complete drying or freezing. However, during drying and rehydration, genetic material gets broken and repaired again, and in the process, diversity is generated. Moreover, DNA from totally different organisms such as fungi, bacteria and plants were discovered inside the rotifer's genome. This horizontal gene transfer is another mechanism through which rotifers seek out diversity. In Ēngines of Ēternity it's precisely this contrast between stasis and flux that is used as a metaphorical device to reflect critically on the aspirations of humankind in space. What concept of culture and identity will we develop in space? Who will have a say in this? And if we end up with a rich diversity of cultures and identities, how will we maintain cohesion? Ēngines of Ēternity is a joint effort between SEADS and the laboratory of Karine Van Doninck (UNamur/ULB). In a series of space biol

关键词： Cloning

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Experimental study on the treatment of rural domestic sewage by modified MBBR sludge and bio-membrane coupling integrated process

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IOP Conference Series: Earth and Environmental Science 2021年第4期804卷

作者： Xiaoming Zhu Mengzhao Shu Jun Ge Xiao Wang Shenglin Huang Shanghai Waterway Engineering Design and Consulting Co. Ltd. Shanghai China Shanghai Dredging Co. Ltd. Shanghai China Shanghai Engineering Research Center of Water Environment Simulation and Ecological Restoration Shanghai China

Experimental study on the treatment of rural domestic sewage by modified MBBR sludge membrane integrated process was carried out, to investigate the removal of organic matter and nitrogen and phosphorus pollutants in sewage by this process technology under different pollution loads. The results showed that the COD, NH4+-N, TN and TP concentration of the influent were 114-214 mg/L, 3.49-16.3 mg/L, 14.4-58.5 mg/L and 0.94-2.68 mg/L, respectively. The COD, NH4+-N, TN and TP concentration of the effluent of the modified MBBR sludge membrane integrated process can meet the Class I level A standard of discharge standard of pollutants for municipal wastewater treatment plant of China. The comparison of process performance under different pollution load conditions showed that the process equipment had good shock load resistance ability. The effluent indicator of the process equipment basically met the Class I Level A standard. Therefore, the modified MBBR sludge membrane integrated process is used in rural domestic sewage treatment, and has a higher comprehensive removal ability of pollutants.

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