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Articles 1 - 23 of 23
Full-Text Articles in Engineering
Computational Catalysis: Creating A User-Friendly Tool For Research And Education, Kevin P. Greenman, Peilin Liao
Computational Catalysis: Creating A User-Friendly Tool For Research And Education, Kevin P. Greenman, Peilin Liao
The Summer Undergraduate Research Fellowship (SURF) Symposium
Catalysis is used in a significant portion of production processes in the industrialized world, including most processing of chemicals and fuels. This makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by experiments. Density functional theory (DFT) has been widely and successfully used to calculate material properties relevant to catalysis and to screen promising candidates for experimental testing, but there currently exists no publicly- available, user-friendly tool for performing these DFT calculations. This work details the development of such a tool for nanoHUB.org …
Thermophotovoltaic Devices: Combustion Chamber Optimization And Modelling To Maximize Fuel Efficiency, Arnold Chris Toppo, Ernesto Marinero, Zhaxylyk Kudyshev
Thermophotovoltaic Devices: Combustion Chamber Optimization And Modelling To Maximize Fuel Efficiency, Arnold Chris Toppo, Ernesto Marinero, Zhaxylyk Kudyshev
The Summer Undergraduate Research Fellowship (SURF) Symposium
Currently, 110 billion cubic meters of natural gas (primarily methane), a potent greenhouse gas, are flared off for environmental and safety reasons. This process results in enough fuel to provide the combined natural gas consumption of Germany and France. The research team developed a thermophotovoltaic device to convert thermal energy to electricity at a high efficiency using proprietary emitters and combustion system. With the current focus being fuel efficiency and the combustion process, the assembly was simulated using ANSYS Fluent modelling software and the following parameters were optimized: air/fuel ratios, flow rates, and inlet sizes. Simultaneously the heat transfer across …
Microstructure Evolution During Compaction Of Powder Blends, Ayush Giri, Marcial Gonzalez, Yasasvi Bommire
Microstructure Evolution During Compaction Of Powder Blends, Ayush Giri, Marcial Gonzalez, Yasasvi Bommire
The Summer Undergraduate Research Fellowship (SURF) Symposium
Powder compaction is a manufacturing technology used to transform powder particles into a solid material with unique anisotropic microstructure and low porosity. It is widely used by pharmaceutical companies to manufacture tablets with desired properties. These properties are the result of the microstructure obtained during the compaction process. Therefore, it is imperative to understand the mechanics underneath the constituent granular particles that eventually contribute to properties of the manufactured tablets. Computational simulation tools have been developed in the past to study powder compaction for pharmaceutical tablets. However, most of the already existing tools limit their scope to study individual particles …
Modelling Catalytic Structures With Python And Ase, Tommie L. Day, Peilin Liao, Pilsun Yoo
Modelling Catalytic Structures With Python And Ase, Tommie L. Day, Peilin Liao, Pilsun Yoo
The Summer Undergraduate Research Fellowship (SURF) Symposium
Voltaic cells hold great potential as a source of clean electricity generation. These fuel sources are more efficient than combustion engines, and they do not produce environmentally harmful by-products. The electrochemical reaction which occurs within the cell is typically catalyzed by platinum, which increases the cost. The search for a better performing, less expensive catalyst is hindered by the lack of a complete, predictive theory of catalysis. Using Quantum Espresso and the Atomic Simulation Environment library for Python, we created a tool for nanoHUB.org which can visually and computationally model catalytic surfaces. This tool can simulate nanoparticles and metallic surfaces …
Investigating Tantalum As A Plasma-Facing Component For Nuclear Fusion Reactors, Arvind Sundaram, Jitendra K. Tripathi, Theodore J. Novakowski, Ahmed Hassanein Ph. D.
Investigating Tantalum As A Plasma-Facing Component For Nuclear Fusion Reactors, Arvind Sundaram, Jitendra K. Tripathi, Theodore J. Novakowski, Ahmed Hassanein Ph. D.
The Summer Undergraduate Research Fellowship (SURF) Symposium
Nuclear fusion is a potential source for producing unlimited environment-friendly energy. Tungsten (W) is selected as the primary candidate material for plasma facing component in nuclear fusion reactors due to its high melting temperature (3695 K), low sputtering erosion yield and strong mechanical properties. However, recent investigations on W have confirmed that it undergoes severe surface morphology changes during low energy He plasma and/or ion irradiation similar to a harsh fusion environment. Additionally, our previous studies indicate that tantalum (Ta) may show better resistance to the harsh radiation environment and is therefore worthy of investigation. Hydrogen retention properties, specifically deuterium …
Simulating Dynamic Failure Of Polymer-Bonded Explosives Under Periodic Excitation, Rachel Kohler, Camilo Duarte Cordon, Marisol Koslowski
Simulating Dynamic Failure Of Polymer-Bonded Explosives Under Periodic Excitation, Rachel Kohler, Camilo Duarte Cordon, Marisol Koslowski
The Summer Undergraduate Research Fellowship (SURF) Symposium
Accidental mishandling of explosive materials leads to thousands of injuries in the US every year. Understanding the mechanisms behind the detonation process is crucial to prevent such accidents. In polymer-bonded explosives (PBX), high-frequency mechanical excitation generates thermal energy and can lead to an increase in temperature and vapor pressure, and potentially the initiation of the detonation process. However, the mechanisms behind this energy release, such as the effects of dynamic fracture and friction, are not well understood. Experimental data is difficult to collect due to the different time scales of reactions and vibrations, so research is aided by running simulations …
Core-Shell Copper And Nickel Nanofoam: Uniform Electroplating And Properties, Hassan Zbib, David Bahr
Core-Shell Copper And Nickel Nanofoam: Uniform Electroplating And Properties, Hassan Zbib, David Bahr
The Summer Undergraduate Research Fellowship (SURF) Symposium
Characterizing materials on the nanoscale is a key factor to enhance nanotechnology in diverse applications, ranging from electronics to energy fields. However, controlling the structure of the material at the nanoscale or mimicking the nanoscale features of a structure that already exists requires linking processing conditions to the nanostructure. This work focuses on solids that show porous patterns at the nano-micro scale; these are often called cellular solids and classified into two categories: honeycombs and foams. This study focuses on nanofoams; with ligament dimensions in the sub-micron scale. Electrospinning has been developed to produce nanofoam structures of polymers with controlled …
High Strain Rate Experiments Of Energetic Material Binder, Roberto Rangel Mendoza, Michael Harr, Weinong Chen
High Strain Rate Experiments Of Energetic Material Binder, Roberto Rangel Mendoza, Michael Harr, Weinong Chen
The Summer Undergraduate Research Fellowship (SURF) Symposium
Energetic materials, in particular HMX, is widely used in many applications as polymer bonded explosives (PBX) and rocket propellant. However, when damaged, HMX is known to be an unstable substance which renders it a hazardous material and in some cases unreliable. Finding critical mechanical conditions at high rates that render various forms of energetic materials as unreliable would be vital to understand the effects that vibrations and compression forces have on energetic materials. A better understanding would enable the ability to develop improvements in the manufacturing of PBX and rocker propellant. The method utilized to evaluate the mechanical properties of …
Characterizing Hmx/Ap Cocrystal Propellant Through Planar Laser Induced Fluorescence, Seth M. Nielsen, Michael S. Powell, Steven F. Son
Characterizing Hmx/Ap Cocrystal Propellant Through Planar Laser Induced Fluorescence, Seth M. Nielsen, Michael S. Powell, Steven F. Son
The Summer Undergraduate Research Fellowship (SURF) Symposium
Energetic cocrystals, or energetic materials that consist of two or more components that form a unique crystalline structure with unique properties, are currently being investigated as a possible method for decreasing the sensitivity of high energy density explosives for use in powerful solid composite propellants. Fuels more powerful than those in current use have not been practical because of their increased safety hazard due to higher sensitivity to being ignited. This has been one of the barriers that has prevented solid composite propellants from seeing significant improvements in performance. This study is an attempt to characterize a cocrystal of HMX …
Effect Of Helium Ions Energy On Molybdenum Surfaces Under Extreme Conditions, Joseph Fiala, Jitendra K. Tripathi, Sean Gonderman, Ahmed Hassanein
Effect Of Helium Ions Energy On Molybdenum Surfaces Under Extreme Conditions, Joseph Fiala, Jitendra K. Tripathi, Sean Gonderman, Ahmed Hassanein
The Summer Undergraduate Research Fellowship (SURF) Symposium
Plasma facing components (PFCs) in fusion devices must be able to withstand high temperatures and erosion due to incident energetic ion radiations. Tungsten has become the material of choice for PFCs due to its high strength, thermal conductivity, and low erosion rate. However, its surface deteriorates significantly under helium ion irradiation in fusion-like conditions and forms nanoscopic fiber-like structures, or fuzz. Fuzz is brittle in nature and has relatively lower thermal conductivity than that of the bulk material. Small amounts of fuzz may lead to excessive contamination of the plasma, preventing the fusion reaction from taking place. Despite recent efforts, …
Freeze-Drying Silica Based Aerogels Using Cryoprotectants And Eutectic Solvent Mixtures, Alyssa R. Bass, Shane Peng, Jeffrey Youngblood
Freeze-Drying Silica Based Aerogels Using Cryoprotectants And Eutectic Solvent Mixtures, Alyssa R. Bass, Shane Peng, Jeffrey Youngblood
The Summer Undergraduate Research Fellowship (SURF) Symposium
Silica based aerogels have unique properties, including good thermal insulation and convective inhibition. A sol-gel process can be used to produce semi-opaque, monolithic gels, which can then be dried to produce aerogels. Multiple drying methods are available industrially, however, these methods require high temperatures and pressures, specialized equipment, and are time consuming. This project aims to experimentally study the possibility of a new method for drying wet gels through a freeze-drying process, with the use of cryoprotectants, eutectics, and polymers to inhibit and control ice formation and growth during drying. Silica wet gels were produced using tetraethylorthosilicate (TEOS), ethanol, water, …
Influence Of Warping On Stress For Restrained Concrete Slabs: For Application To Crcp, Corey M. Beck, W. Jason Weiss, Nathan T. Todd
Influence Of Warping On Stress For Restrained Concrete Slabs: For Application To Crcp, Corey M. Beck, W. Jason Weiss, Nathan T. Todd
The Summer Undergraduate Research Fellowship (SURF) Symposium
Continuously-reinforced concrete pavement (CRCP) is widely used in transportation system because of its low maintenance requirement. However, the need for large volumes of steel creates a high cost for new construction. The Illinois Tollway is preparing to substantially renovate highways in and around Chicago and this work seeks to understand how concretes of varying mixture designs can be made thinner by reducing the amount of built-in stress. The experiment examines warping in beams subjected to various degrees of restraint, in an effort to assess effectiveness at reducing warping in continuously reinforced concrete pavements. Value added methodologies such as internal curing …
Interactive Computer Aided Design Of Electrochemical Systems, Lucas D. Robinson Mr., R. Edwin García Dr., Aniruddha Jana Mr.
Interactive Computer Aided Design Of Electrochemical Systems, Lucas D. Robinson Mr., R. Edwin García Dr., Aniruddha Jana Mr.
The Summer Undergraduate Research Fellowship (SURF) Symposium
The most popular and widely used rechargeable battery numerical model, the dualfoil, was developed in fortran by John Newman and coworkers1-3, and enables the user to describe the time-dependent electrochemical transport of lithium and charge, through the application of concentrated solution theory in porous media. Such a model has enabled the design of many advanced lithium-ion batteries for hybrid and plug-in electric vehicles that can operate under high current densities. Historically, however, the dualfoil and other subsequently derived models are cumbersome and unwieldy when used, and offer limited flexibility regarding parameter variability, integration into more sophisticated numerical descriptions, coupling to …
Nanomechanics Simulation Toolkit - Dislocations Make Or Break Materials, Michael N. Sakano, Alejandro Strachan, David Johnson, Mitchell Wood
Nanomechanics Simulation Toolkit - Dislocations Make Or Break Materials, Michael N. Sakano, Alejandro Strachan, David Johnson, Mitchell Wood
The Summer Undergraduate Research Fellowship (SURF) Symposium
The goal of computational material science is to improve existing materials and design new ones through mathematical calculations. In particular, molecular dynamic simulations can allow for visualization of dislocations in a material, along with its resulting behavior when under stress. For example, plastic deformation and strain hardening result from the movement, multiplication and interaction of dislocations within the crystal structure. A simulation tool to study these phenomena was developed for the nanoHUB web resource as a part of the Network for Computational Nanotechnology at Purdue University and targets audiences ranging from undergraduate students to researchers. We created a user-friendly environment …
Exploring The Effect Of Sample Properties On Spark-Induced Breakdown Spectroscopy, Michael J. Marino, Payson Dieffenbach, Liesl A. Krause, Prasoon Diwakar, Ahmed Hassanein
Exploring The Effect Of Sample Properties On Spark-Induced Breakdown Spectroscopy, Michael J. Marino, Payson Dieffenbach, Liesl A. Krause, Prasoon Diwakar, Ahmed Hassanein
The Summer Undergraduate Research Fellowship (SURF) Symposium
Optical emission spectroscopy techniques such as laser-induced breakdown spectroscopy (LIBS) and spark-induced breakdown spectroscopy (SIBS) provide portable and robust methods for elemental detection in real-time. Laser-produced emissions are then used for quantitative and qualitative analysis of a sample material with applications in explosives detection. For both techniques, the main obstacles have always been signal intensity, accuracy, and sensitivity of detection. The main advantage of the SIBS method is more safe operation, while still maintaining the portability of the technique. In this study, detailed characterization of spark induced plasma, analyte emission intensity, plasma temperature, electron density, and plasma persistence has been …
Examining The Hydration And Mechanical Properties Of Cement Paste Containing Cellulose Nanocrystals, Yvette Valadez-Carranza, Charles Y. Chiu, W. Jason Weiss, Pablo Zavattieri, Jeffrey P. Youngblood
Examining The Hydration And Mechanical Properties Of Cement Paste Containing Cellulose Nanocrystals, Yvette Valadez-Carranza, Charles Y. Chiu, W. Jason Weiss, Pablo Zavattieri, Jeffrey P. Youngblood
The Summer Undergraduate Research Fellowship (SURF) Symposium
Cellulose nanocrystals (CNCs) are a nano-scaled particulae material that has been shown to improve strength in cementitious pastes. One advantage of CNCs compared to other nano-materials is that CNCs are renewable and sustainable. The objective of this investigation is to investigate the influence of additional alkali content on the behavior of CNCs in cement paste. This work evaluates flexural and compressive strength as a function of heat of hydration—which measures the extent of reaction. Previous mechanical tests on cement paste containing cellulose nanocrystals (CNCs) have shown CNCs to improve the flexural strength of cement paste by approximately 30%. Isothermal calorimetry …
He+ Ion Irradiation On Tungsten Surface In Extreme Conditions, George I. Joseph, Jitendra Tripathi, Sivanandan S. Harilal, Ahmed Hassanein
He+ Ion Irradiation On Tungsten Surface In Extreme Conditions, George I. Joseph, Jitendra Tripathi, Sivanandan S. Harilal, Ahmed Hassanein
The Summer Undergraduate Research Fellowship (SURF) Symposium
Higher melting point (3695K), lower sputtering yield and most importantly, lower in-bulk, and co-deposit retention at elevated temperature makes tungsten (W) as a potential candidate for plasma-facing component (PFC) in the international thermonuclear experimental reactor (ITER)-divertor. Helium ion (He+) bombardment on W can cause wide variety of microstructural evolution, such as dislocation loops, helium holes/bubbles and fibre-form nanostructures (Fuzz) etc. In this work, 100 eV He+ ion irradiation, at temperature ranges from 500°C to 1000°C, will be performed on mechanically polished mirror like W surfaces. The surface modification and compositional analysis, due to ion irradiation, will be …
Simulation Of Bio-Inspired Porous Battery Electrodes, Raju Gupta, R. Edwin Garcia, Rui Tu
Simulation Of Bio-Inspired Porous Battery Electrodes, Raju Gupta, R. Edwin Garcia, Rui Tu
The Summer Undergraduate Research Fellowship (SURF) Symposium
Advancement of technology has led to the increase in use of electronic devices. However, longer life of the rechargeable battery used in electronic devices is one of the biggest issue and demand in the world of electronic devices at present. Battery's performance is affected by the orientation, arrangement, shape and size, and porosity of the materials out of which battery electrodes are made. The goal of this project is to develop a set of numerical libraries that allow developing material micro structures that will allow increasing the performance of rechargeable batteries. We focused on the development of an algorithm that …
Development Of Electron Microscopy Analysis And Simulation Tools For Nanohub, Mingxuan Lu, Chang Wan Han, Benjamin P. Haley, Volkan Ortalan
Development Of Electron Microscopy Analysis And Simulation Tools For Nanohub, Mingxuan Lu, Chang Wan Han, Benjamin P. Haley, Volkan Ortalan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Electron microscopy has a crucial role in the field of materials science and structural biology. Although electron microscopy gives lots of important results and findings, some additional simulations and image processing/reconstruction is required to get more information from the data that are collected from the experiments. For this purpose, researchers are using IMOD1 and QSTEM2 for electron microscopy analysis and simulation. IMOD is a set of programs used for tomographic reconstruction and 3D visualization and QSTEM is used for quantitative simulations of TEM and STEM images. However, IMOD and QSTEM are hard to install or use for beginners …
Simulation Of Bio-Inspired Porous Battery Separators, Yumeng Xie, Edwin Garcia, Aniruddha Jana
Simulation Of Bio-Inspired Porous Battery Separators, Yumeng Xie, Edwin Garcia, Aniruddha Jana
The Summer Undergraduate Research Fellowship (SURF) Symposium
Li-Ion rechargeable battery is one of the most-used rechargeable batteries around the industry of the world. The battery is most used in most electronic devices, electrical cars. But the battery separator is one of the mainly problem that limits the service life. If we can find the way to improve the performance of the battery separator, we can highly increase the service life of the Li-Ion battery. The goal of the project 'Simulation of Bio-Inspired Porous Battery Separators' is to generate a tool for users in order to create computer models of bio-inspired porous structures that resemble porous separators layer …
Pulsed Laser Coating Of Bioceramic (Hap) And Niti Nanoparticles On Metallic Implants, Aayush Goswami, Gary J. Cheng
Pulsed Laser Coating Of Bioceramic (Hap) And Niti Nanoparticles On Metallic Implants, Aayush Goswami, Gary J. Cheng
The Summer Undergraduate Research Fellowship (SURF) Symposium
This research deals with increasing the biocompatibility of the bio implants which have a global market valued more than $94.1 billion . The surface of the metal alloys used for the bone implants need to be coated with bio compatible materials like HAp(Hydroxyapatite), graphene, etc. in order to promote the growth of cells(osteoblasts) on the surface of the implants. Various techniques like plasma spray coating, ion beam sputter coating, etc. have been used before to coat such materials on a substrate, however these have faced problems of coating quality. In order to perfect this coating, that is make it more …
Python-Based Simulation Tool For Kinetic Monte Carlo, Zaiwei Zhang, R. Edwin García
Python-Based Simulation Tool For Kinetic Monte Carlo, Zaiwei Zhang, R. Edwin García
The Summer Undergraduate Research Fellowship (SURF) Symposium
Simulation tools are highly needed for testing or designing nanotechnology in university research projects.The problem in the current simulation tool used in our research, which is conducted by Prof.Garcia in MSE department at Purdue, is that users cannot observe the changing numbers of diffusivities during Vacancy Diffusion simulations between different materials. Also, there is no Graphic User Interface for the simulation tools.To solve the problem, the Virtual Kinetics of Materials Laboratory program is used to create the Graphic User Interface. Also, GTK+ toolkit has been used to create a pop-up window displaying updated diffusivities during the simulation. For user purpose, …
Electrochemical Sensing With Metal Oxides, Isabella Ramirez, Lia Stanciu, Alexandra Snyder
Electrochemical Sensing With Metal Oxides, Isabella Ramirez, Lia Stanciu, Alexandra Snyder
The Summer Undergraduate Research Fellowship (SURF) Symposium
The effective sensing of hydrogen peroxide is important for a variety of reasons. It can be utilized as a diagnostic tool for diseases like asthma; also, the sensing can be utilized in pharmaceutical and food production for quality control. The use of silver oxide nanoparticles with varying morphologies has not been investigated as a sensing agent for hydrogen peroxide in the past. The particles’ properties and ability to oxidize and reduce hydrogen peroxide suggest that they will be effective to create a sensitive sensor. The silver oxide particles were prepared through chemical reduction using varying molar ratios of reactants. The …