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Hopping-Transport Mechanism for Reconfigurable Logic in Disordered Dopant Networks

Physical Review Applied 2022年第6期17卷 064025-064025页

作者： Henri Tertilt Jesse Bakker Marlon Becker Bram de Wilde Indrek Klanberg Bernard J. Geurts Wilfred G. van der Wiel Andreas Heuer Peter A. Bobbert Institut für physikalische Chemie Westfälische Wilhelms-Universität Münster Münster Germany NanoElectronics Group University of Twente Enschede Netherlands Multiscale Modeling and Simulation Group Faculty of Electrical Engineering Mathematics and Computer Science MESA+ Institute for Nanotechnology and Center for Brain-Inspired Nano Systems (BRAINS) University of Twente Enschede Netherlands Center for Computational Energy Research (CCER) Eindhoven University of Technology Netherlands Fachbereich Physik Westfälische Wilhelms-Universität Münster Münster Germany Department of Applied Physics Eindhoven University of Technology Netherlands

We present an atomic-scale mechanism based on variable-range hopping of interacting charges enabling reconfigurable logic in dopant network processing units. Kinetic Monte Carlo simulations of the hopping process show temperature-dependent current-voltage characteristics and artificially evolved basic Boolean logic gates in very good agreement with experiment. The simulations provide unique insights into the local electrostatic potential and current flow in the dopant network, showing subtle changes induced by control voltages that set the conditions for the logic operation. These insights will be crucial in the systematic further development of this burgeoning technology for unconventional computing. The establishment of the principles underlying the logic functionality of these devices encourages the exploration and utilization of the same principles in other materials and device geometries.

关键词： Doping effects Hopping transport Neuromorphic computing Devices for digital logic, storage & processing Disordered systems Doped semiconductors Genetic algorithm Monte Carlo methods

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CHANCES AND CHALLENGES OF CHATGPT AND SIMILAR MODELS FOR EDUCATION IN M&S

TechRxiv

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TechRxiv 2023年

作者： Scherer, William T. Tolk, Andreas Loper, Margaret L. Barry, Philip Rabadi, Ghaith Yilmaz, Levent The MITRE Corporation Modeling and Analysis Innovation Center 1001 Research Park Blvd #200 CharlottesvilleVA22911 United States Georgia Tech Research Institute Georgia Institute of Technology AtlantaGA30308 United States University of Virgina Department of Systems and Information Engineering CharlottesvilleVA22904 United States L3Harris Corporation Mission Analysis Group 2235 Monroe Street HerndonVA20171 United States University of Central Florida School of Modeling Simulation and Training 3100 Technology Pkwy OrlandoFL32826 United States Auburn University Samuel Ginn College of Engineering Computer Science and Software Engineering AuburnAL36849 United States

The position paper summarizes the inputs of a set of experts from academia and industry presenting their view on chances and challenges of using ChatGPT within the Modelling and simulation education. They also address the need to evaluate continuous education as well as education of faculty members to address scholastic challenges and opportunities while meeting the expectation of industry. © 2023, CC BY.

关键词： modeling languages

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Experimental and Numerical Characterization of the Elasto-Plastic Properties of Canine Femur

SSRN

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SSRN 2025年

作者： Amirzade, Behzad Zobaer, Tareq Lapsley, Janis Kim, Do-Gyoon Selmic, Laura Nassiri, Ali Department of Integrated Systems Engineering College of Engineering The Ohio State University 1971 Neil Ave. ColumbusOH43210 United States Simulation Innovation and Modeling Center The Ohio State University 315 Bevis Hall 1080 Carmack Rd. ColumbusOH43210 United States Department of Veterinary Clinical Medicine College of Veterinary Medicine The Ohio State University 601 Vernon L Tharp St. ColumbusOH43210 United States Division of Orthodontics College of Dentistry The Ohio State University 4088 Postle Hall 305 W. 12th Ave. ColumbusOH43210 United States

This study investigates the elasto-plastic behavior of trabecular and cortical canine femur bones through a combination of experimental tests, optimization techniques, and numerical simulations. Spherical nanoindentation tests were conducted at high penetration depths to estimate the stress-strain curves and determine yield properties. While the initial yield stress and strain can be obtained through the nanoindentation test, accurately capturing post-yielding behavior remains challenging due to complexities in estimating contact geometry, even when using a spherical tip. To address this limitation, a genetic algorithm (GA)-based optimization framework was developed to obtain the elasto-plastic properties by replicating the force-displacement curves of the experiments. Results revealed an average elastic modulus of 9.39±0.88 GPa for cortical bone and 6.42±0.99 GPa for trabecular bone. Cortical bone exhibited initial yield stresses ranging from 23.30±4.22 MPa (in radial direction) to 101.27±8.71 MPa (in longitudinal direction) at the central diaphysis. For trabecular bone, the average yield stress was 41.39±6.52 MPa in the femoral head and distal metaphysis. To assess the anisotropic behavior and bulk properties of trabecular bone in different regions, multiscale modeling was conducted using micro-Quantitative Computed Tomography (μ-QCT) images. The trabecular bone samples from the femoral head and distal metaphysis showed similar mechanical behavior, with multiscale modeling revealing greater average stiffness along the primary load-bearing direction in the femoral head (2.7 GPa). Additionally, it was observed that bone hydration primarily influences plasticity rather than stiffness. These findings provide a foundation for advanced material modeling and the development of computational frameworks to predict fracture risk in clinical studies. © 2025, The Authors. All rights reserved.

关键词： Yield stress

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3D QSAR and pharmacophore studies on inhibitors of insuline like growth factor 1 receptor (IGF-1R) and insulin receptor (IR) as potential anti-cancer agents

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Current Research in Chemical Biology 2022年 2卷

作者： Mustafa Kamal Pasha Ishrat Jabeen Sandhya Samarasinghe Research Center for Modeling and Simulation National University of Sciences and Technology Islamabad Pakistan Complex Systems Big Data and Informatics Initiative (CSBII) Lincoln University New Zealand

Insulin like growth factor receptor (IGF-1R) and Insulin receptor (IR) are widely accepted to play a prominent role in cancer drug discovery due to their well-established involvement in various stages of tumorigenesis. Previously, neutralization of IGF-1R via monoclonal antibodies was in focus, which failed because of compensatory activation of IR-A upon inhibition of IGF-1R. Recent studies have demonstrated high homology between IGF-IR and IR particularly in tyrosine kinase domain and targeting both receptors have produced efficient therapeutic approaches such as inhibition of cancer cell cycle proliferation. Herein, we have made an attempt to analyze the unique data set from different chemical classes, containing potent ATP competitors against tyrosine kinase domain. We performed the 2D, 3D quantitative structure–activity relationship (QSAR) studies on inhibitors of these receptors to predict useful pharmacophoric features. We have optimized virtual screening of structurally diverse data set of dual inhibitors of IGF-1R and IR. Based on QSAR studies, we predict potential novel clinical candidates with a demonstrated absorption, distribution, metabolism, elimination, and toxicology (ADMETox) track. We also demonstrated comprehensive analysis of co–crystal complexes along with their inhibitors and built 3D- GRid INdependent Descriptors (GRIND) model to obtain insightful features such as H-bond donors and acceptors, overall topology and Vander Waal volume (vdw_vol) which are found to be responsible for dual inhibition of receptors. These findings lead to further description that Tirofiban, Practolol, Edoxaban, Novobiocin have potential to perform dual inhibition of both targets.

关键词： IGF1R IR Dual inhibitors Tyrosine kinase domain Small molecule inhibitors GRIND QSAR Pharmacophore

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Multi-task Paired Masking with Alignment modeling for Medical Vision-Language Pre-training

arXiv

引用

arXiv 2023年

作者： Zhang, Ke Yang, Yan Yu, Jun Jiang, Hanliang Fan, Jianping Huang, Qingming Han, Weidong The Key Laboratory of Complex Systems Modeling and Simulation School of Computer Science and Technology Hangzhou Dianzi University Hangzhou310018 China Regional Medical Center for National Institute of Respiratory Diseases Sir Run Run Shaw Hospital College of Medicine Zhejiang University Hangzhou310016 China AI Lab at Lenovo Research 100094 China The School of Computer Science and Technology University of Chinese Academy of Sciences Beijing101408 China The Department of Medical Oncology at Sir Run Run Shaw Hospital College of Medicine Zhejiang University Hangzhou China The College of Mathematical Medicine Zhejiang Normal University Jinhua China

In recent years, the growing demand for medical imaging diagnosis has placed a significant burden on radiologists. As a solution, Medical Vision-Language Pre-training (Med-VLP) methods have been proposed to learn universal representations from medical images and reports, benefiting downstream tasks without requiring fine-grained annotations. However, existing methods have overlooked the importance of cross-modal alignment in joint image-text reconstruction, resulting in insufficient cross-modal interaction. To address this limitation, we propose a unified Med-VLP framework based on Multi-task Paired Masking with Alignment (MPMA) to integrate the cross-modal alignment task into the joint image-text reconstruction framework to achieve more comprehensive cross-modal interaction, while a Global and Local Alignment (GLA) module is designed to assist self-supervised paradigm in obtaining semantic representations with rich domain knowledge. Furthermore, we introduce a Memory-Augmented Cross-Modal Fusion (MA-CMF) module to fully integrate visual information to assist report reconstruction and fuse the multi-modal representations adequately. Experimental results demonstrate that the proposed unified approach outperforms previous methods in all downstream tasks, including uni-modal, cross-modal, and multimodal tasks. Copyright © 2023, The Authors. All rights reserved.

关键词： Alignment

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ABCSS: A novel approach for increasing the TCP congestion window in a network

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Procedia Computer Science 2021年 191卷 437-444页

作者： N.M. Kasoro S.K. Kasereka G.K. Alpha K. Kyamakya University of Kinshasa Faculty of Sciences Mathematics and Computer Science Department Kinshasa Democratic Republic of the Congo Artificial intelligence Big data and modeLing simulation research center (ABIL) Kinshasa Democratic Republic of the Congo Université Libre des Pays des Grands Lacs Faculty of Sciences and Technologies Goma Democratic Republic of the Congo Alpen-Adria-Universitaet Klagenfurt Institute of Smart Systems Technologies Department of Mathematical Sciences Klagenfurt Austria

Congestion control is a useful task to be taken into account in order to maintain a good traffic in a network. In the case of a TCP/IP (Transmission Control Protocol/Internet Protocol) network, congestion creates queues in routers and even packet rejection. It is the reason why research have been conducted to improve congestion control mechanisms. Nowadays, several TCP congestion algorithms have been implemented. However, with the technology evolution and the need in terms of traffic capacity, various mechanisms implemented by these algorithms have shown their limitations and still need to be improved. The aim of this paper is to develop a novel TCP congestion control approach based on two famous algorithms: Appropriate Byte Counting (ABC) and Slow Start (SS). The results obtained show that ABC increases the congestion window appropriately compared to Slow Start. However, the congestion window remains invariant during the first round trips, which causes the TCP burst phenomenon. The TCP splitting can cause buffer overflows and long queues. For theses shortcomings, we propose ABCSS as a novel approach that appropriately increase the TCP congestion window and minimize the TCP splitting problem. The simulations of ABCSS algorithm provide interesting results compared to some known algorithms.

关键词： Congestion TCP ABC Slow Start Congestion window Congestion control ABCSS

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A Control Structure for Smooth Transfer From Grid-Connected to Islanded Operation of Distributed Synchronous Generators

A Control Structure for Smooth Transfer From Grid-Connected ...

引用

IEEE General Meeting Power& Energy Society

作者： Artur Piardi Edson Geraldi Ahda Grilo Romeu Reginatto Rodrigo Ramos Laboratory of Automation and Simulation of Electrical Systems Itaipu Technological Park Foundation Federal Center for Technological Education of Minas Gerais Center for Engineering Modeling and Applied Social Sciences Federal University of ABC Center of Engineering and Exact Sciences Western Parana State University University of São

ISBN: (数字)9781728155081

ISBN: (纸本)9781728155098

The possibility of operating distributed generation (DG) in islanded mode brings several benefits but still faces some problems, especially related to the transition from a grid-connected to an islanded operating condition. When connected to the main grid, DG units operate in PQ mode. During this transition, their controls must be changed to regulate frequency and voltage. The delay for islanding detection, associated with abrupt changes in the control references, may result in large and detrimental transients. This paper proposes a new control structure for a distributed synchronous generator (DSG) to allow a smooth transition from the grid-connected to the islanded operation mode. The proposed control structure uses a compensation loop that was conceived based on the main ideas of the anti-windup bumpless transfer (AWBT) theory (although it is not, strictly speaking, an AWBT controller). The results show that the proposed structure ensures smaller excursions of the DSG variables during the transition and, therefore, the possibility of a successful formation of the islanded system is extended to a wider range of operating conditions. Moreover, with the proposed control, the success of this transition does not depend on the islanding detection time, which is the main contribution of this paper.

关键词： Synchronous generators Distributed power generation Delays Voltage control Transient analysis Frequency control Faces

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A deep learning approach to remove motion artifacts in fNIRS data analysis

A deep learning approach to remove motion artifacts in fNIRS...

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Optics and the Brain, BRAIN 2020

作者： Gao, Yuanyuan Cavuoto, Lora Yan, Pingkun Kruger, Uwe Schwaitzberg, Steven De, Suvranu Intes, Xavier Center for Modeling Simulation and Imaging in Medicine Rensselaer Polytechnic Institute TroyNY United States Department of Industrial and Systems Engineering University at Buffalo SUNY BuffaloNY United States Department of Biomedical Engineering Rensselaer Polytechnic Institute TroyNY United States Jacobs School of Medicine and Biomedical Sciences State University of New York BuffaloNY United States Department of Surgery State University of New York BuffaloNY United States Buffalo General Hospital BuffaloNY United States

ISBN: (纸本)9781943580743

关键词： Deep learning

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Monitoring the effect of transcranial Electric current Stimulation (tES) during a bimanual motor task via functional Near-InfraRed Spectroscopy (fNIRS)

Monitoring the effect of transcranial Electric current Stimu...

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Clinical and Translational Biophotonics, Translational 2020

作者： Gao, Yuanyuan Cavuoto, Lora Yan, Pingkun Kruger, Uwe Silvestri, Jessica Schwaitzberg, Steven Intes, Xavier De, Suvranu Center for Modeling Simulation and Imaging in Medicine Rensselaer Polytechnic Institute TroyNY United States Department of Industrial and Systems Engineering University at Buffalo SUNY BuffaloNY United States Department of Biomedical Engineering Rensselaer Polytechnic Institute TroyNY United States Jacobs School of Medicine and Biomedical Sciences State University of New York BuffaloNY United States Department of Surgery State University of New York BuffaloNY United States Buffalo General Hospital BuffaloNY United States

We report on functional near-infrared spectroscopy (fNIRS) as a tool to monitor the effect of transcranial electrical stimulation (tES) on human bimanual motor performance. © OSA 2020 © 2020 The Author(s)

ISBN: (纸本)9781943580743

关键词： Infrared devices

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Hybrid nanofluid flow towards an elastic surface with tantalum and nickel nanoparticles, under the influence of an induced magnetic field

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The European Physical Journal Special Topics 2021年第3期231卷 521-533页

作者： Zhang, Lijun Bhatti, M. M. Michaelides, Efstathios E. Marin, M. Ellahi, R. College of Mathematics and Systems Science Shandong University of Science and Technology Qingdao China International Institute for Symmetry Analysis and Mathematical Modelling Department of Mathematical Sciences North-West University Mmabatho South Africa Department of Engineering TCU Fort Worth USA Department of Mathematics and Computer Science Transilvania University of Brasov Brasov Romania Department of Mathematics and Statistics International Islamic University Islamabad Pakistan Fulbright Fellow Department of Mechanical Engineering University of California Riverside Riverside USA Center for Modeling and Computer Simulation Research Institute King Fahd University of Petroleum and Minerals Dhahran Saudi Arabia

The nanofluid, composed of kerosene and tantalum and nickel nanoparticles, is propagating through a porous, elastic surface. The kerosene base fluid is incompressible and electrically conducting. The energy equation for this nanofluid is formulated taking into account the viscous dissipation. The mathematical modeling is performed with the help of a similarity transformation. The developed governing equations are numerically solved using the shooting technique and the Matlab software. The physical behavior of different parameters in the model is discussed through tabular and graphical forms. The present results are also compared to past results. The results indicate that the flow propagates faster for higher values of Darcy number and Tantalum nanoparticles and that the magnetic field opposes the fluid motion. Also that the thermal boundary layer decreases in the presence of Tantalum and Nickel nanoparticles.

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