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The Summer Undergraduate Research Fellowship (SURF) Symposium

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Full-Text Articles in Nanoscience and Nanotechnology

Thin Film Cocaine Sensors, Datta Sheregar, Vick Hung, Jenna Walker, Orlando Hoilett, Jacqueline Linnes, Robert Nawrocki Aug 2018

Thin Film Cocaine Sensors, Datta Sheregar, Vick Hung, Jenna Walker, Orlando Hoilett, Jacqueline Linnes, Robert Nawrocki

The Summer Undergraduate Research Fellowship (SURF) Symposium

Over 7 million Americans suffer from a drug use disorder and up to 60% of individuals treated for addiction will ultimately relapse. We are developing ultra-thin film electrodes on a wearable substrate for a sensor that can detect minute amounts of cocaine in sweat droplets secreted from the skin. This will enable wearable drug monitoring for personalized rehabilitation treatment plans and improve long-term addiction recovery rates. The current research focuses on developing a thin-film sensor that can be applied directly to the skin. First a layer of PVP (poly4-vinylphenol) was prepared and then spun coated onto a piece of glass ...


Spice Based Compact Model For Electrical Switching Of Antiferromagnet, Xe Jin Chan, Jan Kaiser, Pramey Upadhyaya Aug 2018

Spice Based Compact Model For Electrical Switching Of Antiferromagnet, Xe Jin Chan, Jan Kaiser, Pramey Upadhyaya

The Summer Undergraduate Research Fellowship (SURF) Symposium

A simulation framework that can model the behavior of antiferromagnets (AFMs) is essential to building novel high-speed devices. The electrical switching of AFMs allows for high performance memory applications. With new phenomena in spintronics being discovered, there is a need for flexible and expandable models. With that in mind, we developed a model for AFMs which can be used to simulate AFM switching behavior in SPICE. This approach can be modified for adding modules, keeping pace with new developments. The proposed AFM switching model is based on the Landau-Lifshitz-Gilbert equation (LLG). LLG along with an exchange coupling module is implemented ...


Predicting And Optimizing Solar Cell Performance With Material/Surface Characteristics, Yiheng Zhu, Allison Perna, Peter Bermel Aug 2018

Predicting And Optimizing Solar Cell Performance With Material/Surface Characteristics, Yiheng Zhu, Allison Perna, Peter Bermel

The Summer Undergraduate Research Fellowship (SURF) Symposium

Renewable energy sources have begun replacing fossil fuels at the utility scale. In particular, photovoltaics has grown rapidly in recent years. To further improve solar technology in terms of cost and efficiency and promote adoption, researchers often seek material and device level advancements. Photovoltaic simulation tools can be utilized to predict device performance before fabrication and experimentation, streamline research processes, and interpret experimental results. Therefore, we developed ContourPV, which simulates various combinations of values of different device characteristics to optimize and predict photovoltaic performance. ContourPV sweeps the inputted range of values for each chosen device or layer characteristic and obtains ...


Investigation Of Itx Derivative Photoinitiators For Depletion Lithography, Ran Le, Paul Somers, Liang Pan, Xianfan Xu, Teng Chi, Bryan Boudouris Aug 2018

Investigation Of Itx Derivative Photoinitiators For Depletion Lithography, Ran Le, Paul Somers, Liang Pan, Xianfan Xu, Teng Chi, Bryan Boudouris

The Summer Undergraduate Research Fellowship (SURF) Symposium

Direct laser writing (DLW) with two-photon polymerization (TPP) allows for fabricating 3-dimensional nano-scale polymer structures by focusing an ultrafast laser inside a photoresist system consisting of a monomer and photoinitiator. The photoinitiator is excited by the laser and triggers the polymerization process of the monomer. Stimulated emission depletion (STED), which was designed for resolution enhancement for microscopy, could be applied to this process and inhibit the polymerization with an additional laser for depletion. This STED process can be used to increase the resolution of the 3D printing. However, the photoresist for STED-DLW should contain a photoinitiator that is sensitive to ...


Irradiation-Induced Nanocluster Evolution, Didier Ishimwe, Matthew J. Swenson, Janelle P. Wharry Aug 2017

Irradiation-Induced Nanocluster Evolution, Didier Ishimwe, Matthew J. Swenson, Janelle P. Wharry

The Summer Undergraduate Research Fellowship (SURF) Symposium

Oxide dispersion strengthened steel (ODS) and commercial ferritic-martensitic (F-M) alloys are widely accepted candidate structural materials for designing advanced nuclear reactors. Nanoclusters embedded in the steel matrix are key microstructural features of both alloy types. Irradiation from nuclear fusion and fission affects the morphology of these nanoparticles, altering the performance of the alloys and potentially decreasing their usable lifetime. Thus, it is important to understand the effect of irradiation on these nanoparticles in order to predict long-term nuclear reactor performance. It was found that the evolution of nanoclusters in each material is different depending on the experimental irradiation parameters. The ...


Fundamental Characterization Of Oxygen Nanobubbles, John Hamlin, Yi Wen, Joseph Irudayaraj Aug 2017

Fundamental Characterization Of Oxygen Nanobubbles, John Hamlin, Yi Wen, Joseph Irudayaraj

The Summer Undergraduate Research Fellowship (SURF) Symposium

A hypoxic environment is created by tumors’ incredible growth rate. Hypoxia provides radioresistance to the tumors, thus making radiation treatment less effective. The issue is that increasing the radiation leads to increased side effects in patients. Our goal for the oxygen-filled nanobubble is to deliver oxygen to the tumor to lessen radioresistance and make radiation treatment more efficient. However, we need preliminary research to understand and improve the nanobubbles before further research and implementation. To do this, we synthesized different batches of nanobubbles to optimize the production method and find the best container and temperature to store nanobubbles. We measured ...


Modal Phonon Transport Across Interfaces By Non-Equilibrium Molecular Dynamics Simulation, Yang Zhong, Tianli Feng, Xiulin Ruan Aug 2017

Modal Phonon Transport Across Interfaces By Non-Equilibrium Molecular Dynamics Simulation, Yang Zhong, Tianli Feng, Xiulin Ruan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Phonons represent the quantization of lattice vibration, responsible for heat transfer in semiconductors and dielectrics. Phonon heat conduction across interfaces is crucially important for the thermal management of real-life devices such as smartphones, electric vehicles, and satellites. Although recent studies have broadly investigated spectral phonon contribution to lattice thermal conductivity, the mechanism of phonon modal transport across interfaces is still not well-understood. Previous models, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), only consider elastic process while neglecting inelastic phonon contributions. Herein, we employ spectral Non-Equilibrium Molecular Dynamics Simulation (NEMD) to probe the temperature and heat flux ...


Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan Aug 2017

Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Thermal conductivity is an important material property which affects the performance of a wide range of devices from thermoelectrics to nanoelectronics. Information about phonon vibration modes and phonon relaxation time gives significant insight into understanding and engineering material’s thermal conductivity. Although different theoretical models have been developed for studying phonon modes and relaxation time, extensive knowledge of lattice dynamics and molecular dynamics is required to compute phonon modal frequencies and relaxation times. Therefore, a computational tool which can take simple inputs to calculate phonon mode frequencies and relaxation time will be beneficial. Through this research work, such computational tool ...


Atomistic Simulations Of Novel Nanoscale Semiconductor Devices: Resistance Switches And Two-Dimensional Transistors, Joseph P. Anderson, Mahbubul Islam, David Guzman, Alejandro Strachan Aug 2017

Atomistic Simulations Of Novel Nanoscale Semiconductor Devices: Resistance Switches And Two-Dimensional Transistors, Joseph P. Anderson, Mahbubul Islam, David Guzman, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

As transistors get smaller, we are achieving record levels of memory density. However, there is a limit to how small transistors can be made before their functionality breaks down. Thus alternatives to traditional transistor technology are needed. The two such technologies we examined are: resistance switching devices, which reversibly grow metal filaments through a dielectric, and two-dimensional transistors, which are capable of breaking through the scalability limit of traditional transistors. In order to design resistance switching devices which create filaments with some level of consistency, the dynamics of the filament formation need to be explored. Herein we model this process ...


Dislocation Engineering In Novel Nanowire Structures, Christopher Y. Chow, Samuel T. Reeve, Alejandro Strachan Aug 2016

Dislocation Engineering In Novel Nanowire Structures, Christopher Y. Chow, Samuel T. Reeve, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Leveraging defects is a cornerstone of materials science, and has become increasingly important from bulk to nanostructured materials. We use molecular dynamics simulations to explore the limits of defect engineering by harnessing individual dislocations in nanoscale metallic specimens and utilizing their intrinsic behavior for application in mechanical dampening. We study arrow-shaped, single crystal copper nanowires designed to trap and control the dynamics of dislocations under uniaxial loading. We characterize how nanowire cross-section and stacking-fault energy of the material affects the ability to trap partial or full dislocations. Cyclic loading simulations show that the periodic motion of the dislocations leads to ...


Modeling Of A Roll-To-Roll Plasma Cvd System For Graphene, Yudong Chen, Majed A. Alrefae, Anurag Kumar, Timothy S. Fisher Aug 2016

Modeling Of A Roll-To-Roll Plasma Cvd System For Graphene, Yudong Chen, Majed A. Alrefae, Anurag Kumar, Timothy S. Fisher

The Summer Undergraduate Research Fellowship (SURF) Symposium

Graphene is a 2D carbon material that has extraordinary physical properties relevant to many industrial applications such as electronics, oxidation barrier and biosensors. Roll-to-roll plasma chemical vapor deposition (CVD) has been developed to manufacture graphene at large scale. In a plasma CVD chamber, graphene is grown on a copper foil as it passes through a high-temperature plasma region. The temperatures of the gas and the copper foil play important roles in the growth of graphene. Consequently, there is a need to understand the temperature and gas velocity distributions in the system. The heat generated in the plasma creates a thermal ...


Generalizing The Quantum Dot Lab Towards Arbitrary Shapes And Compositions, Matthew A. Bliss, Prasad Sarangapani, James Fonseca, Gerhard Klimeck Aug 2016

Generalizing The Quantum Dot Lab Towards Arbitrary Shapes And Compositions, Matthew A. Bliss, Prasad Sarangapani, James Fonseca, Gerhard Klimeck

The Summer Undergraduate Research Fellowship (SURF) Symposium

As applications in nanotechnology reach the scale of countable atoms, computer simulation has become a necessity in the understanding of new devices, such as quantum dots. To understand the various optoelectronic properties of these nanoparticles, the Quantum Dot Lab (QDL) has been created and powered by NEMO5 to simulate on multi-scale, multi-physics bases. QDL is easy to use by offering choices of different QD geometries such as shapes and sizes to the users from a predefined menu. The simplicity of use, however, limits the simulation of general QD shapes and compositions. A method to import generic strained crystalline and amorphous ...


Temperature Dependent Surface Modification Of Tungsten Exposed To High-Flux Low-Energy Helium Ion Irradiation, Antony Q. Damico, Jitendra K. Tripathi, Theodore J. Novakowski, Gennady Miloshevsky, Ahmed Hassanein Aug 2016

Temperature Dependent Surface Modification Of Tungsten Exposed To High-Flux Low-Energy Helium Ion Irradiation, Antony Q. Damico, Jitendra K. Tripathi, Theodore J. Novakowski, Gennady Miloshevsky, Ahmed Hassanein

The Summer Undergraduate Research Fellowship (SURF) Symposium

Nuclear fusion is a great potential energy source that can provide a relatively safe and clean limitless supply of energy using hydrogen isotopes as fuel material. ITER (international thermonuclear experimental reactor) is the world first fusion reactor currently being built in France. Tungsten (W) is a prime candidate material as plasma facing component (PFC) due to its excellent mechanical properties, high melting point, and low erosion rate. However, W undergoes a severe surface morphology change when exposed to helium ion (He+) bombardment under fusion conditions. It forms nanoscopic fiber-form structures, i.e., fuzz on the surface. Fuzz is brittle and ...


Performance Of Tf-Vls Grown Inp Photovoltaic Cells, Junyan Shi, Yubo Sun, Peter Bermel Aug 2016

Performance Of Tf-Vls Grown Inp Photovoltaic Cells, Junyan Shi, Yubo Sun, Peter Bermel

The Summer Undergraduate Research Fellowship (SURF) Symposium

A grand challenge of photovoltaics (PV) is to find materials offering a promising combination of low costs and high efficiencies. While III-V material-based PV cells have set many world records, often their cost is much greater than other commercial cells. To help address this gap, thin-film vapor-liquid-solid (TF-VLS) grown Indium Phosphide (InP) PV cells have recently been developed, which both eliminate a key source of high costs and offer a direct bandgap of 1.34eV with potential to approach maximum theoretical efficiencies. However, the unanticipated phenomenon of open circuit voltage (Voc) degradation has prevented TF-VLS grown InP PV cells ...


Energy Transfer In Cdse Nanoplatelet Superlattices, Kelly Wang, Jordan Snaider, Libai Huang Aug 2016

Energy Transfer In Cdse Nanoplatelet Superlattices, Kelly Wang, Jordan Snaider, Libai Huang

The Summer Undergraduate Research Fellowship (SURF) Symposium

Two-dimension CdSe semiconductor nanoplatelets (NPLs) exhibit unique, highly desirable optical and electronic properties, such as large absorption crossection and bright emission. Fӧrster resonance energy transfer (FRET) between NPLs is responsible for the utility of these NPLs in fields such as lasing, lighting, solar energy, and sensing. Here we study energy transfer processes in NPL superlattices using photoluminescence (PL) and time resolved PL (TRPL) spectroscopic methods. Information on the effect of thickness of NPL is obtained through correlating PL and TRPL spectra of CdSe superlattices with AFM measurements. PL spectrum showed narrow fluorescence and absorption peaks at room temperature corresponding to ...


Effect Of Particle Concentration And Ac Electric Field Strength On Particle Trapping In Rapid Electrokinetic Patterning (Rep), Sixuan Li, Avanish Mishra, Steve Wereley Aug 2016

Effect Of Particle Concentration And Ac Electric Field Strength On Particle Trapping In Rapid Electrokinetic Patterning (Rep), Sixuan Li, Avanish Mishra, Steve Wereley

The Summer Undergraduate Research Fellowship (SURF) Symposium

Rapid Electrokinetic Patterning (REP) is an optoelectric technique for trapping and translating micro- and nanoparticles non-invasively. It uses a combination of laser-induced AC electrothermal flow and particle-electrode interactions in the presence of a uniform AC electric field. The trapping is governed by laser power, electric field strength, AC frequency and dielectric properties of the particle and the medium. A REP trap has an AC frequency, termed critical frequency, above which particles cannot be trapped. It is expected to be dependent on dielectric properties of the particle and the medium. However, we propose that the particle concentration and AC field strength ...


Quantum Dot Lab : Incorporation Of Alloys In The Capping Layer Of Multi-Layer Quantum Dot, Unmesha U. Kale, Prasad Sarangapani, Jim Fonseca, Gerhard Klimeck Aug 2016

Quantum Dot Lab : Incorporation Of Alloys In The Capping Layer Of Multi-Layer Quantum Dot, Unmesha U. Kale, Prasad Sarangapani, Jim Fonseca, Gerhard Klimeck

The Summer Undergraduate Research Fellowship (SURF) Symposium

Quantum dots have enhanced the performance of several optoelectronic devices. Designing and obtaining optimal quantum dot structures requires intensive simulation. Quantum Dot Lab on nanoHUB provides such a simulation platform. The simulation is fully parallelized and depending on the structure, the tool decides the computational resource which is to be used for the simulation. To obtain accurate predictions of quantum dot structures it is essential to provide a variety of simulation parameters to the user. In this research, a user interface was created where the user can simulate alloys by Random distribution and by Virtual Crystal Approximation(VCA) type distribution ...


Assembly Of Nucleic Acid-Based Nanoparticles By Gas-Liquid Segmented Flow Microfluidics, Matthew L. Capek, Ross Verheul, David H. Thompson Aug 2016

Assembly Of Nucleic Acid-Based Nanoparticles By Gas-Liquid Segmented Flow Microfluidics, Matthew L. Capek, Ross Verheul, David H. Thompson

The Summer Undergraduate Research Fellowship (SURF) Symposium

The development of novel and efficient mixing methods is important for optimizing the efficiency of many biological and chemical processes. Tuning the physical and performance properties of nucleic acid-based nanoparticles is one such example known to be strongly affected by mixing efficiency. The characteristics of DNA nanoparticles (such as size, polydispersity, ζ-potential, and gel shift) are important to ensure their therapeutic potency, and new methods to optimize these characteristics are of significant importance to achieve the highest efficacy. In the present study, a simple segmented flow microfluidics system has been developed to augment mixing of pDNA/bPEI nanoparticles. This DNA ...


Fluence Dependent Surface Modification On Tungsten Coatings Using Low Energy Helium Ion Irradiation At Elevated Temperatures, Cheng Ji, Jitendra K. Tripathi, Theodore J. Novakowski, Valeryi Sizyuk, Ahmed Hassanein Aug 2016

Fluence Dependent Surface Modification On Tungsten Coatings Using Low Energy Helium Ion Irradiation At Elevated Temperatures, Cheng Ji, Jitendra K. Tripathi, Theodore J. Novakowski, Valeryi Sizyuk, Ahmed Hassanein

The Summer Undergraduate Research Fellowship (SURF) Symposium

Nuclear fusion is the most promising renewable energy source for the near future. It can provide a large amount of energy using a very small amount of fuel, as compared with that of the coal, oil, or nuclear fission. The chain reaction in nuclear fusion produces the energy and fuel, from hydrogen isotopes available in see water. Tungsten (W) is a leading candidate material for the plasma-facing component (PFC) in nuclear fusion reactors such as ITER (international thermonuclear experimental reactor), because of its high melting point, high yield strength, low erosion and low hydrogen isotope retention. Recent studies showed deeply ...


Development Of Micro-/Nano-Architectures For Intracellular Sensing Platform, Ryan M. Preston, Dae Seung Wie, Chi Hwan Lee Aug 2016

Development Of Micro-/Nano-Architectures For Intracellular Sensing Platform, Ryan M. Preston, Dae Seung Wie, Chi Hwan Lee

The Summer Undergraduate Research Fellowship (SURF) Symposium

Currently available nanotechnologies are capable of creating various nanostructures in controlled dimensions such as particles (0D), wires (1D), membranes (2D), and cubes (3D) by exploiting “top-down” or “bottom-up” methods. However, there exist limitations to systematically construct hierarchical nanostructures with geometric complexities. This study is focused on developing a novel nanofabrication strategy that can rationally produce a set of hierarchical nanostructures configured with precisely engineered facets, tip shapes, and tectonic motifs. We aim to identify a collection of optimal materials, array layouts, basic components, and nanofabrication techniques for the production of hierarchical nanostructures by exploiting device-grade semiconducting silicon materials. To accomplish ...


Thermophotovoltaic System Simulation With Realistic Experimental Considerations, Evan L. Schlenker, Zhiguang Zhou, Peter Bermel Aug 2015

Thermophotovoltaic System Simulation With Realistic Experimental Considerations, Evan L. Schlenker, Zhiguang Zhou, Peter Bermel

The Summer Undergraduate Research Fellowship (SURF) Symposium

Thermophotovoltaic (TPV) systems are a promising type of energy generation method that convert heat into electricity via thermal radiation. TPV has potential to benefit the economy, the energy sector, and the environment by converting waste heat from other power generation methods into electricity. Simulations of these systems can play a key role in designing TPV systems and validating their experimental performance. Current simulation tools can model important aspects of TPV systems fairly accurately, but generally make certain simplifying assumptions that are challenging to reproduce in experiments. Developing a simulation tool that accurately captures thermal emission and reflection in complex, realistic ...


Development Of A Shape Memory Polymer Soft Microgripper, Marshall Tatro, David J. Cappelleri, Wuming Jing Aug 2015

Development Of A Shape Memory Polymer Soft Microgripper, Marshall Tatro, David J. Cappelleri, Wuming Jing

The Summer Undergraduate Research Fellowship (SURF) Symposium

The ability to control microrobots by means of magnetic fields has become of increasing interest to researchers. These robots’ ability to reach places tethered microrobots otherwise could not leads to many possible applications in the body, such as delivering drugs to targeted locations and performing biopsies. This study shows the use of shape memory polymer (SMP) to wirelessly actuate a microgripper to be used by a controllable microrobot to achieve these functions. Many smart materials were analyzed in order to find the material that most effectively would accomplish wirelessly gripping, manipulating, and releasing a microobject. Multiple microgripper designs were designed ...


3d Printing Nanostructured Thermoelectric Device, Qianru Jia, Collier Miers, Amy Marconnet Aug 2015

3d Printing Nanostructured Thermoelectric Device, Qianru Jia, Collier Miers, Amy Marconnet

The Summer Undergraduate Research Fellowship (SURF) Symposium

Thermoelectric materials convert thermal energy to electrical energy and vice versa. Thermoelectrics have attracted much attention and research efforts due to the possibility solving electronic cooling problems and reducing energy consumption through waste heat recovery. The efficiency of a thermoelectric material is determined by the dimensionless figure of merit ZT, which depends on both thermal and electrical properties. Researchers have worked for several decades to improve the ZT, but there had been little progress until nanomaterials and nanofabrication became widely available. Nanotechnology makes the ZT enhancement attainable by disconnecting the linkage between thermal and electrical transport. Printing customized, flexible thermoelectric ...


Simplified Generation Of The Input Models Of Object Oriented Micromagnetic Framework (Oommf), Jinyang Yu, Rafatul Faria, Supriyo Datta, Tanya A. Faltens Aug 2015

Simplified Generation Of The Input Models Of Object Oriented Micromagnetic Framework (Oommf), Jinyang Yu, Rafatul Faria, Supriyo Datta, Tanya A. Faltens

The Summer Undergraduate Research Fellowship (SURF) Symposium

Object Oriented MicroMagnetic Framework (OOMMF) is a micromagnetic simulation tool. It takes a memory initialization file (MIF) as the input and outputs various forms of data such as data table, graph and magnetic configuration plots. It is accurate and fast compared to other existing tools such as MATLAB. Few experimentalists used it in the past, however, due to two main reasons. First, OOMMF requires a specific version of programming environment on the local computer which is difficult to be installed. Second, MIF file is very complicated to code and it also requires users to read a lengthy guidelines. Our solution ...


Electronic And Mechanical Material Properties From Dft Calculations, Usama Kamran, David Guzman, Alejandro Strachan Aug 2015

Electronic And Mechanical Material Properties From Dft Calculations, Usama Kamran, David Guzman, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Materials modeling provides a cost and time efficient method for studying their properties, especially in nanotechnology where length and time scales are not accessible experimentally. Our research focuses on developing a tool useful for both instructional and research purposes that calculates material properties. The tool relies on density functional theory (DFT) calculations to compute specific properties for a wide range of materials including semiconductors, insulators, and metals. A major goal with our tool was to keep the GUI very simple for novice users, such as students, while retaining an advanced option section for experienced users, such as researchers. The tool ...


Fracture Mechanics-Based Simulation Of Pv Module Delamination, Dominic I. Jarecki, Johanna B. Palsdottir, Peter Bermel, Marisol Koslowski Aug 2015

Fracture Mechanics-Based Simulation Of Pv Module Delamination, Dominic I. Jarecki, Johanna B. Palsdottir, Peter Bermel, Marisol Koslowski

The Summer Undergraduate Research Fellowship (SURF) Symposium

Photovoltaic (PV) cells are rapidly growing as a renewable alternative to fossil fuels like coal, oil, and natural gas. However, greater adoption has also reduced government subsidies, placing the onus of making solar panels economically competitive on innovative research. While multiple methods have been considered for reducing costs, with each reduction in cost comes the associated peril of reduction in quality and useful lifetime. Several problems considered solved have now resurfaced as potential failure mechanisms with the introduction of cheaper PV cell technologies. However, to remain economically viable, PV modules will not only have to become cheaper, they will have ...


Nanomechanics Simulation Toolkit - Dislocations Make Or Break Materials, Michael N. Sakano, Alejandro Strachan, David Johnson, Mitchell Wood Aug 2015

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 ...


Granular Matter: Microstructural Evolution And Mechanical Response, Aashish Ghimire, Ishan Srivastava, Timothy S. Fisher Aug 2014

Granular Matter: Microstructural Evolution And Mechanical Response, Aashish Ghimire, Ishan Srivastava, Timothy S. Fisher

The Summer Undergraduate Research Fellowship (SURF) Symposium

Heterogeneous (nano) composites, manufactured by the densification of variously sized grains, represent an important and ubiquitous class of technologically relevant materials. Typical grain sizes in such materials range from macroscopic to a few nanometers. The morphology exhibited by such disordered materials is complex and intricately connected with its thermal and electrical transport properties. It is important to quantify the geometric features of these materials and simulate the fabrication process. Additionally, granular materials exhibit complex structural and mechanical properties that crucially govern their reliability during industrial use. In this work, we simulate the densification of soft deformable grains from a low-density ...


Thermoelectric (Te) Device Made Using Pbte Nanocrystal Coated Glass Fibers, Xiaoqin Zhu, Scott W. Finefrock, Yue Wu Aug 2014

Thermoelectric (Te) Device Made Using Pbte Nanocrystal Coated Glass Fibers, Xiaoqin Zhu, Scott W. Finefrock, Yue Wu

The Summer Undergraduate Research Fellowship (SURF) Symposium

Around 60 % of the energy produced in the U.S. in 2013 was wasted and most of this was dissipated in the form of heat. Thermoelectric materials could potentially harvest part of the energy being wasted by converting heat energy into electrical energy. Lead telluride nanocrystals are an interesting thermoelectric material particularly for solution-based coating of flexible substrates. The purpose of this project is to develop a working thermoelectric device using p-n pairs of PbTe nanocrystal coated glass fibers. In this project, p- and n- type PbTe nanocrystals are synthesized in solution. Bare glass fibers are sequentially dipped in solutions ...


Bayesian Calibration Tool, Sveinn Palsson, Martin Hunt, Alejandro Strachan Aug 2014

Bayesian Calibration Tool, Sveinn Palsson, Martin Hunt, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Fitting a model to data is common practice in many fields of science. The models may contain unknown parameters and often, the goal is to obtain good estimates of them. A variety of methods have been developed for this purpose. They often differ in complexity, efficiency and accuracy and some may have very limited applications. Bayesian inference methods have recently become popular for the purpose of calibrating model's parameters. The way they treat unknown quantities is completely different from any classical methods. Even though the unknown quantity is a constant, it is treated as a random variable and the ...