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31.
David Kuťák Pere-Pau Vázquez Tobias Isenberg Michael Krone Marc Baaden Jan Byška Barbora Kozlíková Haichao Miao 《Computer Graphics Forum》2023,42(6):e14738
Visualization plays a crucial role in molecular and structural biology. It has been successfully applied to a variety of tasks, including structural analysis and interactive drug design. While some of the challenges in this area can be overcome with more advanced visualization and interaction techniques, others are challenging primarily due to the limitations of the hardware devices used to interact with the visualized content. Consequently, visualization researchers are increasingly trying to take advantage of new technologies to facilitate the work of domain scientists. Some typical problems associated with classic 2D interfaces, such as regular desktop computers, are a lack of natural spatial understanding and interaction, and a limited field of view. These problems could be solved by immersive virtual environments and corresponding hardware, such as virtual reality head-mounted displays. Thus, researchers are investigating the potential of immersive virtual environments in the field of molecular visualization. There is already a body of work ranging from educational approaches to protein visualization to applications for collaborative drug design. This review focuses on molecular visualization in immersive virtual environments as a whole, aiming to cover this area comprehensively. We divide the existing papers into different groups based on their application areas, and types of tasks performed. Furthermore, we also include a list of available software tools. We conclude the report with a discussion of potential future research on molecular visualization in immersive environments. 相似文献
32.
Ivona Kafedjiska Igal Levine Artem Musiienko Natalia Maticiuc Tobias Bertram Amran Al-Ashouri Christian A. Kaufmann Steve Albrecht Rutger Schlatmann Iver Lauermann 《Advanced functional materials》2023,33(34):2302924
The performance of five hole-transporting layers (HTLs) is investigated in both single-junction perovskite and Cu(In, Ga)Se2 (CIGSe)-perovskite tandem solar cells: nickel oxide (NiOx,), copper-doped nickel oxide (NiOx:Cu), NiOx+SAM, NiOx:Cu+SAM, and SAM, where SAM is the [2-(3,-6Dimethoxy-9H-carbazol-9yl)ethyl]phosphonic acid (MeO-2PACz) self-assembled monolayer. The performance of the devices is correlated to the charge-carrier dynamics at the HTL/perovskite interface and the limiting factors of these HTLs are analyzed by performing time-resolved and absolute photoluminescence ((Tr)PL), transient surface photovoltage (tr-SPV), and X-ray/UV photoemission spectroscopy (XPS/UPS) measurements on indium tin oxide (ITO)/HTL/perovskite and CIGSe/HTL/perovskite stacks. A high quasi-Fermi level splitting to open-circuit (QFLS-Voc) deficit is detected for the NiOx-based devices, attributed to electron trapping and poor hole extraction at the NiOx-perovskite interface and a low carrier effective lifetime in the bulk of the perovskite. Simultaneously, doping the NiOx with 2% Cu and passivating its surface with MeO-2PACz suppresses the electron trapping, enhances the holes extraction, reduces the non-radiative interfacial recombination, and improves the band alignment. Due to this superior interfacial charge-carrier dynamics, NiOx:Cu+SAM is found to be the most suitable HTL for the monolithic CIGSe-perovskite tandem devices, enabling a power-conversion efficiency (PCE) of 23.4%, Voc of 1.72V, and a fill factor (FF) of 71%, while the remaining four HTLs suffer from prominent Voc and FF losses. 相似文献
33.
Noei Maziar Luckner Paul Linn Tobias Jungemann Christoph 《Journal of Computational Electronics》2022,21(1):153-168
Journal of Computational Electronics - We discuss the numerical aspects of the Boltzmann transport equation (BE) for electrons in semiconductor devices, which is stabilized by Godunov’s... 相似文献
34.
Journal of Intelligent Manufacturing - Deep learning-based predictive quality enables manufacturing companies to make data-driven predictions of the quality of a produced product based on process... 相似文献
35.
Weber Lukas Vinon Tobias Kndler Christian Solis-Vasquez Leonardo Bernhardt Arthur Petrov Ilia Koch Andreas 《Distributed and Parallel Databases》2022,40(1):27-45
Distributed and Parallel Databases - Massive data transfers in modern data-intensive systems resulting from low data-locality and data-to-code system design hurt their performance and scalability.... 相似文献
36.
Elastic‐Plastic Deformation Behavior of Nanostructured HPPMS Hard Coatings Nitride hard coatings deposited via HPPMS (High Power Pulsed Magnetron Sputtering) or HiPIMS (High Power Impulse Magnetron Sputtering) are widely used in tribological applications due to their promising wear and corrosion resistance. During the application, the coated tools or components may be exposed to significant mechanical loads. Therefore, investigations on deformation behavior of the coatings under mechanical loading are of great importance. The objective of the present study was a comprehensive investigation on deformation behavior of nitride hard coatings from the coating system M‐Al‐O‐N (M = Cr, V) using nanoindentation und nanoscratch tests. In this regard, both nanoscale multilayer (nanolaminate) and monolayer coatings were investigated. All the coatings were deposited using HPPMS technology. Contrary to the expectations regarding a brittle behavior of ceramic‐like coatings, the results depict a considerable plastic deformation of the investigated hard coatings. Furthermore, in addition to a high strength, the applied coatings show a high crack resistance under mechanical loading. 相似文献
37.
Georg Menge Hannes Lorenz Zongwen Fu Franziska Eichhorn Florian Schader Kyle G. Webber Tobias Fey Peter Greil Nahum Travitzky 《Advanced Engineering Materials》2018,20(7)
38.
Jan Tobias Krüger Kay-Peter Hoyer Anatolii Andreiev Mirko Schaper Carolin Zinn 《Advanced Engineering Materials》2023,25(3):2201008
In medical technology, implants are used to improve the quality of patients’ lives. The development of materials with adapted properties can further increase the benefit of implants. If implants are only needed temporarily, biodegradable materials are beneficial. In this context, iron-based materials are promising due to their biocompatibility and mechanical properties, but the degradation rate needs to be accelerated. Apart from alloying, the creation of noble phases to cause anodic dissolution of the iron-based matrix is promising. Due to its high electrochemical potential, immiscibility with iron, biocompatibility, and antibacterial properties, silver is suited for the creation of such phases. A suitable technology for processing immiscible material combinations is powder-bed-based procedure like laser beam melting. This procedure offers short exposure times to high temperatures and therefore a limited time for diffusion of alloying elements. As the silver phases remain after the dissolution of the iron matrix, a modification is needed to ensure their degradability. Following this strategy, pure iron with 5 wt% of a degradable silver–calcium–lanthanum alloy is processed via laser beam melting. Investigation of the microstructure yields achievement of the intended microstructure and long-term degradation tests indicates an impact on the degradation, but no increased degradation rate. 相似文献
39.
Fernando Maccari Tarini Prasad Mishra Monica Keszler Tobias Braun Esmaeil Adabifiroozjaei Iliya Radulov Tianshu Jiang Enrico Bruder Olivier Guillon Leopoldo Molina-Luna Martin Bram Oliver Gutfleisch 《Advanced Engineering Materials》2023,25(18):2300252
Flash spark plasma sintering (flash SPS) is an attractive method to obtain Nd–Fe–B magnets with anisotropic magnetic properties when starting from melt-spun powders. Compared to the benchmark processing route via hot pressing with subsequent die upsetting, flash SPS promises electroplasticity as an additional deformation mechanism and reduced tool wear, while maximizing magnetic properties by tailoring the microstructure—fully dense and high texture. A detailed parameter study is conducted to understand the influence of Flash SPS parameters on the densification and magnetic properties of commercial MQU-F powder. It is revealed that the presintering conditions and preheating temperature before applying the power pulse play a major role for tailoring grain size and texture in the case of hot deformation via Flash SPS. Detailed microstructure and magnetic domain evaluation disclose the texture enhancement with increasing flash SPS temperature at the expense of coercivity. The best compromise between remanence and coercivity (1.37 T and 1195 kA m−1, respectively) is achieved through a combination of presintering at 500 °C for 120 s and preheating temperature of 600 °C, resulting in a magnet with energy product (BH)max of 350 kJm−3. These findings show the potential of flash SPS to obtain fully dense anisotropic nanocrystalline magnets with high magnetic performance. 相似文献
40.