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15th IEEE International Conference on Networking, Sensing and Control (ICNSC)

作者： Li Li Qian Chun-xiang Zhu Yun-tian Nanjing Univ Sci & Technol Sch Mat Sci & Engn Nanjing 210094 Jiangsu Peoples R China Southeast Univ Sch Mat Sci & Engn Nanjing 211189 Jiangsu Peoples R China

ISBN: (纸本)9781538650530

Microbial carbonate precipitation (MCP) is a process increasingly studied with the goal to exploit it to adapt mechanical soil properties for desired land uses. Fundamental understanding of key processes in MCP is needed in order to obtain a controllable full-scale application. Besides experimental investigations, mathematical modeling can help by creating a logical framework in which experiments can be interpreted and, if developed enough, predictions can be made. In this study we developed a numerical model that takes into account the various processes governing MCP at micro-scale (mm). Processes investigated include fluid flow, solute transport, crystal growth and deposition, and the clogging of pore spaces. These processes take place at a pore scale and have their effects on overall system properties. Although lab-scale experiments have proven helpful in elucidating the basic mechanisms that govern bacterial transport, crystal growth, deposition and detachment in porous media, the presence of physical-chemical and biological heterogeneities in several physical and engineered micro-systems make them extremely difficult and complex to represent experimentally. To investigate these processes at pore scale, a model is developed in which the porous medium is represented as an idealized two-dimensional structure. An aqueous influent containing urea and calcium chloride flows by through the porous medium. Solutes are transported by convection and diffusion. Bacteria present on grain surfaces hydrolyze urea, forming ammonium and carbonate ions. Microbial carbonate precipitation occurs in the presence of calcium ions, eventually leading to calcium carbonate crystal formation. The model calculates the growth of a layer of crystals on the grain surface, leading to a narrowing of the pore channels with a concomitant increase in pressure drop and average fluid velocity over the 2-D structure. The results show that this simplified model can be used to identify phenomena that

关键词： computational modeling bio-mineralization microbe-inspired CaCO3 precipitation porous media microbial urease inspired urea hydrolysis

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computational modeling approach to suggest possible therapeutic interventions in spinal muscular atrophy

Computational modeling approach to suggest possible therapeu...

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IEEE International Conference on Bioinformatics and Biomedicine (BIBM) - Human Genomics

作者： Russo, Giulia Zhang, Guanglan Univ Catania Dept Biomed & Biotechnol Sci Catania Italy Tsinghua Univ Dept Comp Sci Beijing Peoples R China

ISBN: (纸本)9781538654880

Spinal muscular atrophy is a destructive motor neuron disease that mostly affects children and represents the most common cause of hereditary infant mortality. It is mainly caused by harmful variants in survival of motor neuron (SMN1), which drive to depletion of the survival motor neuron protein (SMN), along with specific immune organ defects that compromise immune function and consequently the survival and quality of life of SMA patients. In this work, we present an application of a computational modeling approach in order to analyze and suggest possible therapeutic interventions through the inhibitory strategies directed against spinal muscular atrophy.

关键词： SMA computational modeling signaling pathways

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computational modeling of a Fiber-based Corrosion-monitoring Sensor with Two Detection Ranges

Computational Modeling of a Fiber-based Corrosion-monitoring...

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SBMO/IEEE MTT-S International Conference on Microwave and Optoelectronics (IMOC)

作者： Henrique Patriota Alves Joaquim Ferreira Martins Filho Jehan Fonsêca do Nascimento Departament of Electronics and Systems - DES Federal University of Pernambuco - UFPE Recife Brazil Interdisciplinary Nucleus of Nature and Exact Sciences - NICEN Federal University of Pernambuco - UFPE Caruaru Brazil

ISBN: (数字)9781728130996

ISBN: (纸本)9781728131009

This work presents the computational modeling of a fiber-based corrosion sensor with two different metalized regions, on the side-polished D-shaped fiber and on the end cleaved fiber, providing an improved sensor detection range. The sensor structure is numerically modeled with COMSOL Multiphysics. Results evidenced the existence of two corrosion detection ranges capable of providing the corrosion rate independently, and in a wider range of film thickness. Moreover, we present a comparison of the sensor characteristics for two different metals used in the thin film of the transducing element, indicating superior performance of nickel compared to aluminum.

关键词： Optical fiber sensors Optical fibers Corrosion Optical fiber polarization computational modeling Reflectivity Optical fiber communication

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computational modeling for Biomimetic Sensors

Computational Modeling for Biomimetic Sensors

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作者： Icell M. Sharafeldin Jessica E. Fitzgerald Hicham Fenniri Nageh K. Allam

computational modeling has become an important tool for scientists to both predict the properties of materials and systems and to gain a better understanding of the underlying mechanisms. This chapter is a brief yet holistic introduction to computational modeling, focusing on density functional theoretical (DFT) methods. The different types of computational modeling methods, including molecular mechanics, semiempirical, and ab initio methods, as well as the different software available for computational calculations are discussed. A step-by-step guide is presented using Gaussian16 software to introduce the basics of computational modeling based on our work with biomimetic polymer beads. However, the guide presented here is not limited to this particular system; it can be applied to any computational modeling case. The computational modeling methods for the building of the structures are described, and the calculation parameters, such as basis sets and exchange-correlation functionals, are explained. The output data and results are presented and discussed. Two simulation features were the focus of this work: (1) the simulation of the Raman spectra and (2) the different solvation environments. While some researchers in the field believe that computational simulation should be performed before the lab experiments, in fact they should be done simultaneously. This is so that the output of the experimental data can be used as the input of the computational parameters, as a form of semiempirical modeling, in order to achieve more accurate results for predicting the behavior of future experiments and understanding the atomic forces and mechanisms. less

关键词： Data analysis Density functional theory computational modeling Barcoded polymer

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computational discovery and modeling of novel gene expression rules encoded in the mRNA

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BIOCHEMICAL SOCIETY TRANSACTIONS 2020年第4期48卷 1519-1528页

作者： Bahiri-Elitzur, Shir Tuller, Tamir Tel Aviv Univ Dept Biomed Engn Tel Aviv Israel Tel Aviv Univ Sagol Sch Neurosci Tel Aviv Israel

The transcript is populated with numerous overlapping codes that regulate all steps of gene expression. Deciphering these codes is very challenging due to the large number of variables involved, the non-modular nature of the codes, biases and limitations in current experimental approaches, our limited knowledge in gene expression regulation across the tree of life, and other factors. In recent years, it has been shown that computational modeling and algorithms can significantly accelerate the discovery of novel gene expression codes. Here, we briefly summarize the latest developments and different approaches in the field.

关键词： computational modeling gene expression codes gene expression prediction novel regulatory mechanisms transcripts

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computational and Theoretical modeling of Acoustoelectrically Enhanced Brillouin Optomechanical Interactions in Piezoelectric Semiconductors

Computational and Theoretical Modeling of Acoustoelectricall...

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Conference on Lasers and Electro-Optics (CLEO)

作者： Matthew J. Storey Nils T. Otterstrom Ryan O. Behunin Lisa Hackett Peter T. Rakich Matt Eichenfield Microsystems Engineering Science and Applications Sandia National Laboratories Albuquerque NM USA Department of Applied Physics and Materials Science Northern Arizona University Flagstaff AZ USA Center for Materials Interfaces in Research and Applications Northern Arizona University Flagstaff AZ USA Department of Applied Physics Yale University New Haven CT USA

ISBN: (数字)9781957171050

ISBN: (纸本)9781665466660

We computationally explore the optical and elastic modes necessary for acoustoelectrically enhanced Brillouin interactions. The large simulated piezoelectric (k 2 ≈ 6%) and optome-chanical $\left( {\left| {{{\text{g}}_0}} \right| \approx 8000({\text{rad}}/{\text{s}})\sqrt {\text{m}} } \right)$ coupling theoretically predicts a performance enhancement of several orders of magnitude in Brillouin-based photonic technologies.

关键词： Couplings Laser theory Semiconductor lasers computational modeling Scattering Optical computing Laser modes

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Simple and Low-computational Losses modeling for Efficiency Enhancement of Differential Inverters with High Accuracy at Different Modulation Schemes

Simple and Low-Computational Losses Modeling for Efficiency ...

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European Conference on Power Electronics and Applications

作者： Ahmed Shawky Mokhtar Aly Emad M. Ahmed Samir Kouro José Rodriguez Aswan University Aswan Egypt Universidad San Sebastián Santiago Chile College of Engineering Jouf University Sakaka Saudi Arabia Universidad Tecnica Federico Santa Maria Valparaiso Chile

ISBN: (数字)9789075815399

ISBN: (纸本)9781665487009

The modeling of losses at differential inverters is becoming crucial, especially for enhancing efficiency and reliability of their DC-DC modules. Losses modeling based on sinusoidal duty cycle, at line frequency $F_{L}$ , without considering differential inverters characteristics and switching frequency ( $F_{s}$ ) of their DC-DC modules is not accurate, needs high computational demand, and is not applicable for different PWM modulation schemes. In this paper, a simple and accurate losses modeling for differential inverters is proposed based on two-stage calculation process. In first stage, the losses is calculated based on the switching frequencies for DC-DC modules $F_{s}$ . Then, in the second stage, the losses is averaged according to operating frequency of differential inverters $F_{L}$ . The decoupling between both frequencies facilitates the easy insertion of differential inverters characteristics such as static linearization approach and low order even harmonics. Also, it easily obtains the RMS currents in terms of module parameters which reduce the required computational calculations. The proposed modeling is applicable for most modulation schemes such as SVMS, CMS and DMS, thanks to the decoupling property of proposed losses modeling. It is generic for single-phase, three-phase, and multi-phase differential inverters and thoroughly supported efficiency improvement even at modular differential inverters. The flow chart of the presented methodology is explained in detail and effectively applied for many DC-DC modules. For verification, a differential inverter based on SEPIC modules is introduced to validate the accuracy of the proposed losses modeling.

关键词： Support vector machines Frequency modulation computational modeling Switching frequency Switches Pulse width modulation Inverters

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Multi-UAV Cooperative computational Latency modeling and DDPG Optimization

Multi-UAV Cooperative Computational Latency Modeling and DDP...

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International Conference on Communication Technology (ICCT)

作者： Peng Kong Bo Li Yonghao Wang Xiao Huang Kaibo Shi Dong Ma Bo Ran Jitao Huang School of Physics and Electronic-Electrical Engineering Ningxia University Yinchuan China Ningxia Electric Power Marketing Center (Metrology Center) Yinchuan China

With the development of future mobile communication, how to provide better quality of service for latency-sensitive services by mobile edge computing (MEC) in unmanned aerial vehicle (UAV) is a hot issue. Therefore, this paper considers the cooperation of multi- UAV to establish a mobile edge computing network and proposes an optimized delay scheme under the cooperative computing of multi-UAV. In this network, two main works are done. The first work is to model the computational delay of the tasks after the block. The second work is to optimize the computational delay through the deep deterministic policy gradient (DDPG) algorithm. Finally, the simulation results showcase that the proposed scheme has high reliability from the reward function. When subtasks are transmitted and computed, optimal allocate bandwidth and computing resources can be obtained by minimizing the computing delay in the proposed scheme.

关键词： Multi-access edge computing computational modeling Simulation Bandwidth Quality of service Autonomous aerial vehicles Delays

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computational modeling of triple layered microwave heat exchanger

Computational modeling of triple layered microwave heat exch...

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作者： Ajit Mohekar Worcester Polytechnic Institute

学位级别：硕士

A microwave heat exchanger (MHE) is a device which converts microwave (MW) energy into usable form of heat energy. The working principle of the MHE is based on a collective effect of electromagnetic wave propagation, heat transfer and fluid flow, so the development of an efficient device requires complicated experimentation with processes of different physical nature. A peculiar phenomenon making the design of MHE even more challenging is extit{thermal runaway}, a nonlinear phenomenon in which a small increase in the input power gives rise to a large increase in temperature. Such high temperature may result in material damage through excessive thermal expansion, cracking, or melting. In this Thesis, we report on an initial phase in the development of a computational model which may help clarify complicated interaction between nonlinear phenomena that might be difficult to comprehend and control experimentally. We present a 2D multiphysics model mimicking operation of a layered MHE that simulates the nonlinear interaction between MW, thermal, and fluid flow phenomena involved in the operation of the MHE. The model is built for a triple layered (fluid-ceramic-fluid) MHE and is capable of capturing the S- and SS-profiles of power response curve which determines steady-state temperature solution as a function of incident power. The model is implemented on the platform of the COMSOL Multiphysics modeling software. We show that a MHE with particular thickness and dielectric properties of the layers can operate efficiently by keeping temperatures during thermal runaway under control. Overall temperatures increase rapidly as soon as the local maximum temperature reaches a critical value. This condition is held true both in absence and in presence of fluid flow. It is demonstrated that the efficiency of the MHE dramatically increases when thermal runaway is achieved. As the amount of heat energy, which is being transferred to the fluid from the heated dielectric, increases,

关键词： thermal runaway microwave heat exchanger computational modeling

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computational modeling and molecular dynamic simulation of pyrophosphatase of rice (Oryza sativa L.)

Computational modeling and molecular dynamic simulation of p...

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作者： Manisha Punjab Agricultural University

学位级别：硕士

Inorganic pyrophosphatase plays a significant role in various processes in plants. It causes chalkiness and hydrolytic breakdown of ADP-glucose in plastidal compartment. It has significance in lipid metabolism, calcium absorption, DNA synthesis and biochemical transformations. The sequence of inorganic pyrophosphatse was retrieved from NCBI and template was identified using BLASTP. With 84% query coverage and 71% identity 4LUG was selected as template. Modeller 9.19 and RaptorX were used for computational modeling. Predicted models were refined by energy minimization with GROMOS force field from Swiss-pdb Viewer. Minimum energy calculated for Modeller 9.19 and RaptorX predicted models were -2394.489KJ/mol and -7365.312KJ/mol respectively. The structures were assessed by GROMOS, ANOLEA and QMEAN graphs. More favourable region was shown by GROMOS and ANOLEA as compare to QMEAN. WHATIF server programs were used for structures optimization and validation. Bond length Z-score, bond angle Z-score, coarse packing quality and Ramachandran Z-score, were approximately 0.4, 1.2, -0.9 and 0.1 respectively. SAVES server programs score for PROVE, VERIFY3D and ERRAT were approximately 4.2%, 81% and 91% respectively. Ramachandran plot calculated by PROCHECK showed approximately 94% amino acid in core and 6% in allowed region. The models visualization showed coils were dominantly present in both the structures. RMSD for the structures was less than 0.5. Explicit solvent molecular dynamic simulation was done by VMD and NAMD software. The total energy and RMSD graphs calculated after simulation were stable for the structures. Structure superimposition with template showed significant conserved region between template and predicted structures. RMSD calculated after simulation was less than 0.5 Å against for both models template. The model predicted by RaptorX was found better as compared to Modeller 9.19 predicted model.

关键词： Rice computational modeling Pyrophosphatase Molecular dynamic simulation

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