scholarly journals Atomic reconstruction of biomolecular structures from AFM images and quantitative validation of experimental data using simulated AFM scanning

2021 ◽  
Author(s):  
Romain Amyot ◽  
Arin Marchesi ◽  
Clemens M Franz ◽  
Ignacio Casuso ◽  
Holger Flechsig
Keyword(s):  
Experimental Data ◽  
Quantitative Analysis ◽  
Detailed Analysis ◽  
Software Package ◽  
High Speed ◽  
Free Software ◽  
Software Platform ◽  
Interactive Interface ◽  
Surface Topographies ◽  
Quantitative Validation

We provide the BioAFMviewer-Toolbox, an extension of our previously developed software platform for simulated AFM scanning of biomolecular structures and dy- namics. The focus was on developing a toolbox of methods which employ simulated AFM scanning combined with quantitative analysis to facilitate the interpretation of resolution-limited AFM images. The key advancement is the automatized fitting of biomolecular structures to experimental AFM images, which allows to reconstruct 3D atomistic structures from AFM surface scans. Moreover, several methods for detailed analysis and comparison of surface topographies in simulated and experimental AFM images are provided. We demonstrate the applicability of the developed tools in the interpretation of high-speed AFM observations of proteins. The toolbox is implemented into the versatile interactive interface of the BioAFMviewer, which is a free software package available at www.bioafmviewer.com.

Quantitative Analysis of Raman Spectra in Si/SiGe Nanostructures

2013 ◽  
Vol 1510 ◽  
Author(s):  
Selina Mala ◽  
Leonid Tsybeskov ◽  
Jean-Marc Baribeau ◽  
Xiaohua Wu ◽  
David J. Lockwood
Keyword(s):  
Experimental Data ◽  
Thermal Conductivity ◽  
Quantitative Analysis ◽  
Raman Spectra ◽  
Instrumental Response ◽  
Sample Surface ◽  
Stray Light ◽  
Raman Signal ◽  
Longitudinal Acoustic ◽  
Local Sample

ABSTRACTWe present comprehensive quantitative analysis of Raman spectra in two-(Si/SiGe superlattices) and three-(Si/SiGe cluster multilayers) dimensional nanostructures. We find that the Raman spectra baseline is due to the sample surface imperfection and instrumental response associated with the stray light. The Raman signal intensity is analyzed, and Ge composition is calculated and compared with the experimental data. The local sample temperature and thermal conductivity are calculated, and the spectrum of longitudinal acoustic phonons is explained.

Development and Validation of a Three-Dimensional Multiphase Flow CFD Analysis for Journal Bearings in Steam and Heavy Duty Gas Turbines

2012 ◽  
Author(s):  
Stephan Uhkoetter ◽  
Stefan aus der Wiesche ◽  
Michael Kursch ◽  
Christian Beck
Keyword(s):  
Experimental Data ◽  
Multiphase Flow ◽  
Gas Turbines ◽  
High Speed ◽  
Three Dimensional ◽  
Air Entrainment ◽  
Journal Bearings ◽  
Heavy Duty ◽  
Present Contribution ◽  
Two Phase

The traditional method for hydrodynamic journal bearing analysis usually applies the lubrication theory based on the Reynolds equation and suitable empirical modifications to cover turbulence, heat transfer, and cavitation. In cases of complex bearing geometries for steam and heavy-duty gas turbines this approach has its obvious restrictions in regard to detail flow recirculation, mixing, mass balance, and filling level phenomena. These limitations could be circumvented by applying a computational fluid dynamics (CFD) approach resting closer to the fundamental physical laws. The present contribution reports about the state of the art of such a fully three-dimensional multiphase-flow CFD approach including cavitation and air entrainment for high-speed turbo-machinery journal bearings. It has been developed and validated using experimental data. Due to the high ambient shear rates in bearings, the multiphase-flow model for journal bearings requires substantial modifications in comparison to common two-phase flow simulations. Based on experimental data, it is found, that particular cavitation phenomena are essential for the understanding of steam and heavy-duty type gas turbine journal bearings.

Effects of vessel baffling on the drawdown of floating solids

2009 ◽  
Vol 63 (2) ◽  
Author(s):  
Joanna Karcz ◽  
Beata Mackiewicz
Keyword(s):  
Experimental Data ◽  
Power Consumption ◽  
Strain Gauge ◽  
High Speed ◽  
Vessel Diameter ◽  
Rushton Turbine ◽  
Agitated Vessel ◽  
Dimensionless Equation ◽  
Inner Diameter ◽  
Floating Particles

AbstractThe effects of baffling of an agitated vessel on the production of floating particles suspension are presented in this paper. Critical agitator speed, needed for particles dispersion in a liquid agitated in a vessel of the inner diameter of 0.295 m, was determined. The just drawdown agitator speeds were defined analogously to the Zwietering criterion. Specific agitation energy was calculated from the power consumption experimental data obtained by means of the strain gauge method. The experiments were carried out for twelve configurations of the baffles differing in number, length and their arrangement in the vessels. The following high-speed impellers were used: up- and downpumping six blade pitched blade turbines, Rushton turbine, and propeller. The impeller was located in the vessel in the height equal to two-thirds or one-third of the vessel diameter from the bottom of the vessel. The results were described in the form of a dimensionless equation.

On the State of Genre/Form Vocabulary: A Quantitative Analysis of LCGFT Data in WorldCat

2021 ◽  
Vol 65 (2) ◽  
pp. 52
Author(s):  
Colin Bitter ◽  
Yuji Tosaka
Keyword(s):  
Quantitative Analysis ◽  
Detailed Analysis ◽  
The State ◽  
Bibliographic Databases ◽  
Moderate Increase ◽  
Large Set ◽  
Library Of Congress ◽  
Bibliographic Data ◽  
Innovative Solutions ◽  
Over Time

The purpose of this paper is to report on a quantitative analysis of the LCGFT vocabulary within a large set of MARC bibliographic data retrieved from the OCLC WorldCat database. The study aimed to provide a detailed analysis of the outcomes of the LCGFT project, which was launched by the Library of Congress (LC) in 2007. Findings point to a moderate increase in LCGFT use over time; however, the vocabulary has not been applied to the fullest extent possible in WorldCat. Further, adoption has been inconsistent between the various LCGFT disciplines. These and other findings discussed here suggest that retrospective application of the vocabulary using automated means should be investigated by catalogers and other technical services librarians. Indeed, as the data used for the analysis show somewhat uneven application of LCGFT, and with nearly half a billion records in WorldCat, it remains a certainty that much of LCGFT’s full potentials for genre/form access and retrieval will remain untapped until innovative solutions are introduced to further increase overall vocabulary usage in bibliographic databases.

Loss Generation in Transonic Turbine Blading

2017 ◽  
Author(s):  
Penghao Duan ◽  
Choon S. Tan ◽  
Andrew Scribner ◽  
Anthony Malandra
Keyword(s):  
Experimental Data ◽  
Boundary Layer ◽  
Mach Number ◽  
High Speed ◽  
Turbine Blades ◽  
Surface Boundary ◽  
Loss Model ◽  
Exit Mach Number ◽  
Loss Characteristic ◽  
Shock Loss

The measured loss characteristic in a high-speed cascade tunnel of two turbine blades of different designs showed distinctly different trend with exit Mach number ranging from 0.8 to 1.4. Assessments using steady RANS computation of the flow in the two turbine blades, complemented with control volume analyses and loss modelling, elucidate why the measured loss characteristic looks the way it is. The loss model categorizes the total loss in terms of boundary layer loss, trailing edge loss and shock loss; it yields results in good agreement with the experimental data as well as steady RANS computed results. Thus RANS is an adequate tool for determining the loss variations with exit isentropic Mach number and the loss model serves as an effective tool to interpret both the computational and experimental data. The measured loss plateau in Blade 1 for exit Mach number of 1 to 1.4 is due to a balance between a decrease of blade surface boundary layer loss and an increase in the attendant shock loss with Mach number; this plateau is absent in Blade 2 due to a greater rate in shock loss increase than the corresponding decrease in boundary layer loss. For exit Mach number from 0.85 to 1, the higher loss associated with shock system in Blade 1 is due to the larger divergent angle downstream of the throat than that in Blade 2. However when exit Mach number is between 1.00 and 1.30, Blade 2 has higher shock loss. For exit Mach number above around 1.4, the shock loss for the two blades is similar as the flow downstream of the throat is completely supersonic. In the transonic to supersonic flow regime, the turbine design can be tailored to yield a shock pattern the loss of which can be mitigated in near equal amount of that from the boundary layer with increasing exit Mach number, hence yielding a loss plateau in transonic-supersonic regime.

Study on Performance Optimization of Car Diesel Engine with VNT Based on One-Dimensional Simulation and Experimental Verification

2012 ◽  
Vol 155-156 ◽  
pp. 12-17 ◽  
Author(s):  
Lian Xu Wang ◽  
Da Wei Qu ◽  
Chang Qing Song ◽  
Ye Tian
Keyword(s):  
Experimental Data ◽  
Diesel Engine ◽  
Performance Optimization ◽  
High Speed ◽  
Turbine Blades ◽  
Simulation Software ◽  
Engine Operation ◽  
One Dimensional ◽  
Distribution Phase ◽  
Dimensional Simulation

To research the performance optimization of high speed car diesel engine，firstly according to the characteristic of car diesel engine with Variable Nozzle Turbocharger (VNT)， one-dimensional cycle model of the engine was established by using simulation software BOOST and validated by experimental data in this paper. The turbine blades’ opening corresponding to different speed was determined. Therefore the problem that the VNT surges at low engine speed and the inlet air flow is insufficient at high speed was solved. Based on the above model, this paper improved the efficiency of the engine by optimizing the compression ratio and the distribution phase of camshaft and then used the experimental data to check the simulation results. Meanwhile the fuel consumption and the possibility of the engine operation roughness decreased.

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