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Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong 2010 Department of Chemical and Biomolecular Engineering

Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong

Doctoral Dissertations

Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have received great interest since they were first synthesized in the late 1990s. Practical applications of MOFs are continuously being discovered as a better understanding of the properties of materials adsorbed within the nanopores of MOFs emerges. One such potential application is as a component of an explosive-sensing system. Another potential application is for hydrogen storage.

This work is focused on tailoring MOFs to adsorb/desorb the explosive, RDX. Classical grand canonical Monte Carlo (GCMC) and molecular dynamic (MD) simulations have been performed to calculate adsorption isotherms and self-diffusivities ...


High Order Finite Elements For Lagrangian Computational Fluid Dynamics, Truman Everett Ellis 2010 California Polytechnic State University - San Luis Obispo

High Order Finite Elements For Lagrangian Computational Fluid Dynamics, Truman Everett Ellis

Master's Theses and Project Reports

A general finite element method is presented to solve the Euler equations in a Lagrangian reference frame. This FEM framework allows for separate arbitrarily high order representation of kinematic and thermodynamic variables. An accompanying hydrodynamics code written in Matlab is presented as a test-bed to experiment with various basis function choices. A wide range of basis function pairs are postulated and a few choices are developed further, including the bi-quadratic Q2-Q1d and Q2-Q2d elements. These are compared with a corresponding pair of low order bi-linear elements, traditional Q1-Q0 and sub-zonal pressure Q1-Q1d. Several test problems are considered including static convergence ...


Pretty Lights, Nicholas (Nick) delMas, Matthew (Matt) Maniaci 2010 California Polytechnic State University - San Luis Obispo

Pretty Lights, Nicholas (Nick) Delmas, Matthew (Matt) Maniaci

Computer Engineering

Digital media players often include a visualization component that allows a user to watch a visualization synchronized to their music or videos. This project uses the visualization plugin API of an existing media playback program (WinAmp) but it displays its visuals using physical LED lights. Instead of outputting visuals to the computer screen, data is sent over USB to a micro controller that runs the LED lights. This project aims to give users a more visceral visual experience than traditional visualizations on the computer screen.


Real-Time Heart Model For Implantable Cardiac Device Validation And Verification, Zhihao Jiang, Miroslav Pajic, Allison T. Connolly, Sanjay Dixit, Rahul Mangharam 2010 University of Pennsylvania

Real-Time Heart Model For Implantable Cardiac Device Validation And Verification, Zhihao Jiang, Miroslav Pajic, Allison T. Connolly, Sanjay Dixit, Rahul Mangharam

Departmental Papers (ESE)

Designing bug-free medical device software is difficult, especially in complex implantable devices that may be used in unanticipated contexts. Safety recalls of pacemakers and implantable cardioverter defibrillators due to firmware problems between 1990 and 2000 affected over 200,000 devices, comprising 41% of the devices recalled and are increasing in frequency. There is currently no formal methodology or open experimental platform to validate and verify the correct operation of medical device software. To this effect, a real-time Virtual Heart Model (VHM) has been developed to model the electrophysiological operation of the functioning (i.e. during normal sinus rhythm) and malfunctioning ...


Conference Proceedings 3rd International Scientific Conference On “Energy Systems With It” At Alvsjö Fair In Association With Energitinget March 16-17 2010, Dr. Erik Dahlquist, Dr. Jenny Palm 2010 Malardalen University

Conference Proceedings 3rd International Scientific Conference On “Energy Systems With It” At Alvsjö Fair In Association With Energitinget March 16-17 2010, Dr. Erik Dahlquist, Dr. Jenny Palm

Dr. Erik Dahlquist

2010 “The Energiting” is performed for the 12th time. The International Scientific conference is arranged for the 3rd time. The organisers are Swedish Energy Agency, Mälardalen University and the Research School for Energy Systems with LiU, KTH, UU and CTH. The first topic will be “Energy systems” covering use of renewable energy sources, energy conversion and process efficiency improvement with new technologies, as well as societal aspects of the introduction of new technologies. The second topic is “Energy and IT”. This covers energy and load management, interaction between production, distribution and “consumption”, usage of data for decision support and control ...


Homotopy Perturbation Algorithm Using Laplace Transformation, Mohammad Madani, Mahdi Fathizade 2010 Amirkabir University of Technology (Tehran Polytechnic)

Homotopy Perturbation Algorithm Using Laplace Transformation, Mohammad Madani, Mahdi Fathizade

Mohammad Madani

In this paper, a combinatory method of the Laplace transform and the homotopy perturbation method is proposed to solve non-homogeneous partial differential equations with variable coefficients. The obtained approximate solutions are compared with exact solutions and those obtained by other analytical methods, showing reliability of the present method.


Selective Recursive Kernel Learning For Online Identification Of Nonlinear Systems With Narx Form, Yi Liu, Haiqing Wang, Jiang Yu, Ping Li 2010 Zhejiang University

Selective Recursive Kernel Learning For Online Identification Of Nonlinear Systems With Narx Form, Yi Liu, Haiqing Wang, Jiang Yu, Ping Li

Dr. Yi Liu

Online identification of nonlinear systems is still an important while difficult task in practice. A general and simple online identification method, namely Selective Recursive Kernel Learning (SRKL), is proposed for multi-input–multi-output (MIMO) systems with the nonlinear autoregressive with exogenous input form. A two-stage RKL online identification framework is first formulated, where the information contained by a sample (i.e., the new arriving or old useless one) can be introduced into and/or deleted from the model, recursively. Then, a sparsification strategy to restrict the model complexity is developed to guarantee all the output channels of the MIMO model accurate ...


Effective Heuristic Methods For Finding Non-Optimal Solutions Of Interest In Constrained Optimization Models, Steven. O. Kimbrough, Ann Kuo, Hoong. C. Lau 2010 University of Pennsylvania

Effective Heuristic Methods For Finding Non-Optimal Solutions Of Interest In Constrained Optimization Models, Steven. O. Kimbrough, Ann Kuo, Hoong. C. Lau

Operations, Information and Decisions Papers

This paper introduces the SoI problem, that of finding non-optimal solutions of interest for constrained optimization models. SoI problems subsume finding FoIs (feasible solutions of interest), and IoIs (infeasible solutions of interest). In all cases, the interest addressed is post-solution analysis in one form or another. Post-solution analysis of a constrained optimization model occurs after the model has been solved and a good or optimal solution for it has been found. At this point, sensitivity analysis and other questions of import for decision making (discussed in the paper) come into play and for this purpose the SoIs can be of ...


Adaptive Pid Control Based On Rbf Network Approximating The Satellite Clock Thermal Model, Bin Xu 2010 Nanyang Technological University, Singapore

Adaptive Pid Control Based On Rbf Network Approximating The Satellite Clock Thermal Model, Bin Xu

Bin Xu

The accuracy o f t ime information prov ided by sate llite clock g reat ly depends on its frequency stab ili􀀁 ty, w hich is up to the stability o f the co re tempera ture. Th is paper introduces an adaptive PID control for the sate llite c lock system whose mode l is approx imated based on RBF neural netw orks. Simu lation resu lts demonstrate the va lid ity o f the proposed contro.l


Grafika Inżynierska Ćw., Wojciech M. Budzianowski 2010 Wroclaw University of Technology

Grafika Inżynierska Ćw., Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Projektowanie Procesów Biotechnologicznych Proj., Wojciech M. Budzianowski 2010 Wroclaw University of Technology

Projektowanie Procesów Biotechnologicznych Proj., Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Projektowanie I Optymalizacja Procesów Proj., Wojciech M. Budzianowski 2010 Wroclaw University of Technology

Projektowanie I Optymalizacja Procesów Proj., Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Metody Numeryczne Lab., Wojciech M. Budzianowski 2010 Consulting Services

Metody Numeryczne Lab., Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Odnawialne Źródła Energii W., Wojciech M. Budzianowski 2010 Wroclaw University of Technology

Odnawialne Źródła Energii W., Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Modeling Biological Structures Via Abstract Grammars To Solve Common Problems In Computational Biology, David J. Russell 2010 University of Nebraska - LIncoln

Modeling Biological Structures Via Abstract Grammars To Solve Common Problems In Computational Biology, David J. Russell

Theses, Dissertations, and Student Research from Electrical & Computer Engineering

Grammars are generally understood to be the set of rules that define the relationships between elements of a language. However, grammars can also be used to elucidate structural relationships within sequences constructed from any finite alphabet. In this work abstract grammars are used to model the primary and secondary structures present in biological data. These grammar models are inferred and applied to efficiently solve various sequence analysis problems in computational biology, including multiple sequence alignment, fragment assembly, database redundancy removal, and structural prediction.

The primary structures, or sequential ordering of symbols, of biological data are first modeled with Lempel-Ziv (LZ ...


Studies Of Dynamic Crack Propagation And Crack Branching With Peridynamics, Youn Doh Ha Ph.D., Florin Bobaru Ph.D. 2010 University of Nebraska at Lincoln

Studies Of Dynamic Crack Propagation And Crack Branching With Peridynamics, Youn Doh Ha Ph.D., Florin Bobaru Ph.D.

Faculty Publications from the Department of Engineering Mechanics

In this paper we discuss the peridynamic analysis of dynamic crack branching in brittle materials and show results of convergence studies under uniform grid refinement (m-convergence) and under decreasing the peridynamic horizon (δ-convergence). Comparisons with experimentally obtained values are made for the crack-tip propagation speed with three different peridynamic horizons.We also analyze the influence of the particular shape of themicro-modulus function and of different materials (Duran 50 glass and soda-lime glass) on the crack propagation behavior. We show that the peridynamic solution for this problem captures all the main features, observed experimentally, of dynamic crack propagation and branching, as ...


A Computational Analysis Of Cognitive Effort, Luca Longo, Stephen Barrett 2010 Technological University Dublin

A Computational Analysis Of Cognitive Effort, Luca Longo, Stephen Barrett

Books/Book Chapters

Cognitive effort is a concept of unquestionable utility in understanding human behaviour. However, cognitive effort has been defined in several ways in literature and in everyday life, suffering from a partial understanding. It is common to say “Pay more attention in studying that subject” or “How much effort did you spend in resolving that task?”, but what does it really mean? This contribution tries to clarify the concept of cognitive effort, by introducing its main influencing factors and by presenting a formalism which provides us with a tool for precise discussion. The formalism is implementable as a computational concept and ...


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