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Symposium on Ferroelectricity and Piezoelectricity: Materials, Devices, and Applications

作者： Kalkur, T.S. Sbrockey, N.M. Tompa, G.S. Alpay, S.P. Department of Electrical and Computer Engineering University of Colorado at Colorado Springs Colorado Springs CO 80933-7150 United States Structured Materials Industries Inc. Unit 102 201 Circle Drive North Piscataway NJ 08854 United States Materials Science and Engineering Program Department of Chemical Materials and Biomolecular Engineering University of Connecticut Storrs CT 06269 United States

Tunable Ka band filters based on graded barium strontium titanate (BST) have been investigated in terms of their associated parasitics, tunability, and temperature dependence of capacitance. The simulation results show that increase in parasitic resistance from 0.05 ohm to 1 ohm increases the insertion loss from 0 db to 25 db. The simulation results also show that, with 60% tunability for graded BST capacitors, the center frequency of the filter can be tuned from 29.489 GHz to 45.144 GHz. In addition, the bandwidth shift becomes temperature independent when the graded BST capacitor is biased at an electric field of 3e7V/cm. Copyright © Taylor & Francis Group, LLC.

关键词： Barium strontium titanate

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Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functions

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Physical Review E 2010年第6期81卷 061204-061204页

作者： Qifei Wang David J. Keffer Donald M. Nicholson J. Brock Thomas Department of Chemical and Biomolecular Engineering University of Tennessee Knoxville Tennessee 37996 USA Computer Science and Mathematics Division Oak Ridge National Laboratory Oak Ridge Tennessee 37830-8026 USA Eastman Chemical Company Kingsport Tennessee 37662-5230 USA

In this work, we test the ability of the Ornstein-Zernike equation in the Percus-Yevick approximation (OZPY) to generate interaction potentials from pair correlation functions (PCFs) of monatomic and diatomic Lennard-Jones fluids. The PCFs are generated by solving OZPY equation (monatomic fluid) and molecular-dynamics (MD) simulations (diatomic fluid). Since the interaction potentials are inputs in the OZPY method and the MD simulation, the extraction of the potential from the PCFs using OZPY is a test of self-consistency. This test is necessary if the procedure is to be used to generate coarse-grained (CG) potentials from PCFs. We find that the procedure is completely self-consistent for the monatomic fluid in the whole range of densities studied (reduced density up to 0.55, under reduced temperature of 2.0). In the diatomic case, we find that the procedure is generally self-consistent under both low and high densities, although there is a systematic deviation at high densities. The method is able to reproduce the two parameters (ε and σ) of the input Lennard-Jones potential model to within about 1%. This CG potential generating procedure can be straightforwardly extended to more complicated molecules.

关键词： Molecular dynamics

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Passivity-based model reference robust control for a class of nonlinear systems with input and state measurement delays

Passivity-based model reference robust control for a class o...

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American Control Conference (ACC)

作者： Erick J. Rodríguez-Seda Pedro O. López-Montesinos Dušan M. Stipanović Mark W. Spong Coordinated Science Laboratory University of Illinois Urbana IL USA Chemical and Biomolecular Engineering Department University of Illinois Urbana IL USA School of Engineering and Computer Science University of Technology Dallas TX USA School of Engineering and Computer Science University of Texas Dallas TX USA

This paper presents a model reference robust control framework that guarantees asymptotic stability of a class of nonlinear systems with arbitrarily large constant input and state measurement delays as well as uncertain system parameters. The proposed control framework combines the use of a modified wave scattering transformation to achieve overall stability and to enforce state convergence of the time delay nonlinear system to the desired state independently of unknown initial conditions, transmission losses, and computational errors. A numerical example illustrates the effectiveness of the proposed controller.

关键词： Robust control Nonlinear systems Asymptotic stability Uncertain systems Nonlinear control systems Control systems Scattering Convergence Delay effects Propagation losses

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A “Living” Microvascular Stamp: “Living” Microvascular Stamp for Patterning of Functional Neovessels;Orchestrated Control of Matrix Property and Geometry (Adv. Mater. 1/2012)

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Advanced Materials 2011年第1期24卷

作者： Jae Hyun Jeong Vincent Chan Chaenyung Cha Pinar Zorlutuna Casey Dyck K. Jimmy Hsia Rashid Bashir Hyunjoon Kong Department of Chemical and Biomolecular Engineering University of Illinois at Urbana‐Champaign Urbana Illinois 61801 USA Department of Bioengineering University of Illinois at Urbana‐Champaign Urbana Illinois 61801 USA Department of Mechanical Science and Engineering University of Illinois at Urbana‐Champaign Urbana Illinois 61801 USA Micro and Nanotechnology Laboratory University of Illinois at Urbana‐Champaign Urbana Illinois 61801 USA Department of Electrical and Computer Engineering University of Illinois at Urbana‐Champaign Urbana Illinois 61801 USA Institute of Genomic Biology University of Illinois at Urbana‐Champaign Urbana Illinois 61801 USA

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Dry contact transfer printing of aligned carbon nanotube patterns and characterization of their optical properties for diameter distribution and alignment

Dry contact transfer printing of aligned carbon nanotube pat...

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作者： Pint, Cary L. Xu, Ya-Qiong Moghazy, Sharief Cherukuri, Tonya Alvarez, Noe T. Haroz, Erik H. Mahzooni, Salma Doorn, Stephen K. Kono, Junichiro Pasquali, Matteo Hauge, Robert H. Department of Physics and Astronomy Rice University Houston TX 77005 United States Department of Chemistry Rice University Houston TX 77005 United States Department of Electrical and Computer Engineering Rice University Houston TX 77005 United States Department of Chemical and Biomolecular Engineering Rice University Houston TX 77005 United States Richard E. Smalley Institute for Nanoscale Science and Technology Rice University Houston TX 77005 United States Department of Electrical Engineering and Computer Science Vanderbilt University Nashville TN 37235 United States Department of Physics and Astronomy Vanderbilt University Nashville TN 37235 United States Chemistry Division Los Alamos National Laboratory Los Alamos NM 87545 United States

A scalable and facile approach is demonstrated where as-grown patterns of well-aligned structures composed of single-walled carbon nanotubes (SWNT) synthesized via water-assisted chemical vapor deposition (CVD) can be transferred, or printed, to any host surface in a single dry, room-temperature step using the growth substrate as a stamp. We demonstrate compatibility of this process with multiple transfers for large-scale device and specifically tailored pattern fabrication. Utilizing this transfer approach, anisotropic optical properties of the SWNT films are probed via polarized absorption, Raman, and photoluminescence spectroscopies. Using a simple model to describe optical transitions in the large SWNT species present in the aligned samples, polarized absorption data are demonstrated as an effective tool for accurate assignment of the diameter distribution from broad absorption features located in the infrared. This can be performed on either well-aligned samples or unaligned doped samples, allowing simple and rapid feedback of the SWNT diameter distribution that can be challenging and time-consuming to obtain in other optical methods. Furthermore, we discuss challenges in accurately characterizing alignment in structures of long versus short carbon nanotubes through optical techniques, where SWNT length makes a difference in the information obtained in such measurements. This work provides new insight to the efficient transfer and optical properties of an emerging class of long, large diameter SWNT species typically produced in the CVD process. © 2010 American chemical Society.

关键词： Light absorption

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Quantifying stochastic effects in biochemical reaction networks using partitioned leaping

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Physical Review E 2009年第5期79卷 051906-051906页

作者： Leonard A. Harris Aaron M. Piccirilli Emily R. Majusiak Paulette Clancy School of Chemical and Biomolecular Engineering Cornell University Ithaca New York 14853 USA Department of Computer Science Cornell University Ithaca New York 14853 USA

“Leaping” methods show great promise for significantly accelerating stochastic simulations of complex biochemical reaction networks. However, few practical applications of leaping have appeared in the literature to date. Here, we address this issue using the “partitioned leaping algorithm” (PLA) [L. A. Harris and P. Clancy, J. Chem. Phys. 125, 144107 (2006)], a recently introduced multiscale leaping approach. We use the PLA to investigate stochastic effects in two model biochemical reaction networks. The networks that we consider are simple enough so as to be accessible to our intuition but sufficiently complex so as to be generally representative of real biological systems. We demonstrate how the PLA allows us to quantify subtle effects of stochasticity in these systems that would be difficult to ascertain otherwise as well as not-so-subtle behaviors that would strain commonly used “exact” stochastic methods. We also illustrate bottlenecks that can hinder the approach and exemplify and discuss possible strategies for overcoming them. Overall, our aim is to aid and motivate future applications of leaping by providing stark illustrations of the benefits of the method while at the same time elucidating obstacles that are often encountered in practice.

关键词： promise bottlenecks practice programmable logic arrays Stochastic biological organs Quantify Traffic Bottlenecks random effect Intuition Network Biochemical Reaction

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Tristable electrical conductivity switching in a polyfluorene- diphenylpyridine copolymer with pendant carbazole groups

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Philosophical Transactions of the Royal Society A: Mathematical, Physical and engineering sciences 2009年第1905期367卷 4203-4214页

作者： Liu, Gang Liaw, Der-Jang Lee, Wei-Yi Ling, Qi-Dan Zhu, Chun-Xiang Chan, D. Siu-Hung Kang, En-Tang Neoh, Koon-Gee Department of Chemical and Biomolecular Engineering National University of Singapore Kent Ridge 119260 Singapore Department of Electrical and Computer Engineering National University of Singapore Kent Ridge 119260 Singapore Department of Chemical Engineering National Taiwan University of Science and Technology Taipei 106 Taiwan

Tristable electrical conductivity switching and non-volatile memory effects are demonstrated in a conjugated copolymer of poly(2,6-diphenyl-4-((9-ethyl)- 9H- carbazole)-pyridinyl-alt-2,7-(9,9-didodecyl)-9H-fluorenyl) (PPCzPF). The indium-tin oxide (ITO)/PPCzPF/Al device can be switched from the low-conductivity (off) state to the first high-conductivity (on-1) state at 1.8V, with an on/off current ratio of approximately 100. The device can be further switched from the on-1 state to the next higher conductivity (on-2) state at 2.4V, with an on-2/on-l current ratio of approximately 20. All the three conductivity states are accessible, stable and nonerasable. The tri-level conductance switching can be explained in terms of field-induced conformational ordering of the polymer chains and enhanced charge-transfer interaction at the PPCzPF/ITO interface. © 2009 The Royal Society.

关键词： Charge transfer

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Volatile electrical switching in a functional polyimide containing electron-donor and -acceptor moieties

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Journal of Applied Physics 2009年第4期105卷

作者： Liu, Yi-Liang Ling, Qi-Dan Kang, En-Tang Neoh, Koon-Gee Liaw, Der-Jang Wang, Kun-Li Liou, Wun-Tai Zhu, Chun-Xiang Chan, Daniel Siu-Hung Department of Chemical and Biomolecular Engineering National University of Singapore Kent Ridge 119260 Singapore Department of Chemical Engineering National Taiwan University of Science and Technology Taipei 106 Taiwan Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 106 Taiwan SNDL Department of Electrical and Computer Engineering National University of Singapore Kent Ridge 119260 Singapore

A solution-processable functional polyimide (PYTPA-PI), containing triphenylamine-substituted diphenylpyridine moieties (PYTPA, electron donors) and phthalimide moieties (PI, electron acceptors), was synthesized. The copolymer exhibits a high glass transition temperature of 342 °C. A switching device, based on a solution-cast thin film of PYTPA-PI sandwiched between an indium-tin oxide (ITO) bottom electrode and an Al top electrode, exhibits two accessible conductivity states and can be switched from the low-conductivity (OFF) state to the high-conductivity (ON) state, with an ON/OFF current ratio of more than 103, at the threshold voltage of about 2.7 V. The ON state is volatile and relaxes readily to the OFF state. However, it can be electrically sustained by a refreshing voltage pulse of 2 V. The ON state can also be reset to the initial OFF state by a reverse bias of -0.9 V. The ability to write, erase, read, and refresh the electrical states fulfills the functionality of a dynamic random access memory. The electronic transitions and transport mechanisms associated with the memory effect were elucidated from molecular simulation. In comparison with that of other functional polyimides, the electrical switching performance in PYTPA-PI illustrates the possibility of tuning memory properties in imide polymers via molecular design and synthesis. © 2009 American Institute of Physics.

关键词： Polyimides

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Water Dissociation over Ti-Decorated C60

Water Dissociation over Ti-Decorated C60

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第十届全国计算(机)化学学术会议

作者： Marco Buongiorno Nardelli Keith E.Gubbins Center for High-Performance Simulation(CHIPS) North Carolina State UniversityRaleighNC 27695 U.S.A Department of Physics North Carolina State UniversityRaleighNC 27695 United States Computer Science and Mathematics Division Oak Ridge National LaboratoryOak RidgeTN 37381 U.S.A Department of Chemical & Biomolecular Engineering North Carolina State UniversityRaleighNC 27695 U.S.A

Hydrogen can be generated from water,biomass,natural gas,or(after gasification) *** clean way to produce hydrogen from water is to use sunlight in combination with photovoltaic cells and water electrolysis,but it require land area to collect *** way is direct thermal splitting to produce hydrogen without CO2 emission,but it require temperatures of>2000℃.Owing to Ti element have high activity with carbon,it lead to a plenty of metal-catalyzed carbon nanostructures,which open a door for design of *** is very important to investigated the catalysts mechanism of Ti-C for water dissociation reaction,which is necessary step toward the design of catalyst for generation hydrogen.

关键词： water dissociation activation barrier Ti-decorated C60 catalysis center

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Predicting the capability of metal organic frameworks to selectively pre-concentrate explosive molecules

Predicting the capability of metal organic frameworks to sel...

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21st American Filtration and Separations Society Annual Conference 2008

作者： Fern, Jared T. Xiong, Ruichang Keffer, David J. Fuentes-Cabrera, Miguel Nicholson, Donald M. Department of Chemical and Biomolecular Engineering University of Tennessee Knoxville United States Joint Institute for Computational Science University of Tennessee Oak Ridge National Laboratory United States Computer Science and Mathematics Division Oak Ridge National Laboratory United States

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