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Plasticization And Reinforcement In A Boron Cage Compound Polyurethane Nanocomposite: A Dielectric Study, J. Liu, X. Zhang, D. E. Bowen, Nicola Bowler 2017 Iowa State University

Plasticization And Reinforcement In A Boron Cage Compound Polyurethane Nanocomposite: A Dielectric Study, J. Liu, X. Zhang, D. E. Bowen, Nicola Bowler

Nicola Bowler

In order to control and modify the physical properties of nanocomposite systems, it is essential to understand the nano-filler/polymer structure–property relationships. Boron cage compounds (BCCs) are a class of icosahedral, closed cage molecules that are of interest due to their high boron content, their inherent neutron absorbing/shielding properties, their potential ability to act as molecular nano-particles and their ability to significantly improve the thermal stability of polymers in which they have been incorporated. When the BCC n-hexylcarborane is blended with a polybutadiene (PBD)/polyurethane (PU) segmented copolymer (EN8) an increase in the glass transition (Tg) temperature of ...


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

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 ...


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

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 ...


Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan 2017 University of Texas at Arlington

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 ...


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

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 ...


Atomistic Simulations Of Novel Nanoscale Semiconductor Devices: Resistance Switches And Two-Dimensional Transistors, Joseph P. Anderson, Mahbubul Islam, David Guzman, Alejandro Strachan 2017 Texas A & M University - College Station

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 ...


Elastic Properties Of Superconductors And Materials With Weakly Correlated Spins, Christian Binek 2017 University of Nebraska-Lincoln

Elastic Properties Of Superconductors And Materials With Weakly Correlated Spins, Christian Binek

Christian Binek Publications

It is shown that in the ergodic regime, the temperature dependence of Young’s modulus is solely determined by the magnetic properties of a material. For the large class of materials with paramagnetic or diamagnetic response, simple functional forms of the temperature derivative of Young’s modulus are derived and compared with experimental data and empirical results. Superconducting materials in the Meissner phase are ideal diamagnets. As such, they display remarkable elastic properties. Constant diamagnetic susceptibility gives rise to a temperature independent elastic modulus for ceramic and single crystalline superconductors alike. The thermodynamic approach established in this report, paves the ...


Multiple Scattering Theory For Heterogeneous Elastic Continua With Strong Property Fluctuation: Theoretical Fundamentals And Applications, Huijing He 2017 University of Nebraska - Lincoln

Multiple Scattering Theory For Heterogeneous Elastic Continua With Strong Property Fluctuation: Theoretical Fundamentals And Applications, Huijing He

Mechanical & Materials Engineering Faculty Publications

Scattering of elastic waves in heterogeneous media has become one of the most important problems in the field of wave propagation due to its broad applications in seismology, natural resource exploration, ultrasonic nondestructive evaluation and biomedical ultrasound. Nevertheless, it is one of the most challenging problems because of the complicated medium inhomogeneity and the complexity of the elastodynamic equations. A widely accepted model for the propagation and scattering of elastic waves, which properly incorporates the multiple scattering phenomenon and the statistical information of the inhomogeneities is still missing. In this work, the author developed a multiple scattering model for heterogeneous ...


Engineered, Spatially Varying Isothermal Holds: Enabling Combinatorial Studies Of Temperature Effects, As Applied To Metastable Titanium Alloy Β-21s, Brian Martin, Peyman Samimi, Peter C. Collins 2017 Iowa State University

Engineered, Spatially Varying Isothermal Holds: Enabling Combinatorial Studies Of Temperature Effects, As Applied To Metastable Titanium Alloy Β-21s, Brian Martin, Peyman Samimi, Peter C. Collins

Peter Collins

A novel method to systematically vary temperature and thus study the resulting microstructure of a material is presented. This new method has the potential to be used in a combinatorial fashion, allowing the rapid study of thermal holds on microstructures to be conducted. This is demonstrated on a beta titanium alloy, where the thermal history has a strong effect on microstructure. It is informed by simulation and executed using the resistive heating capabilities of a Gleeble 3800 thermomechanical simulator. Spatially varying isothermal holds of 4 h were affected, where the temperature range of the multiple isothermal holds varied by ~175 ...


Tracer Counterpermeation Analysis Of Diffusivity In Finite-Length Nanopores With And Without Single-File Dynamics, David Ackerman, James W. Evans 2017 Iowa State University

Tracer Counterpermeation Analysis Of Diffusivity In Finite-Length Nanopores With And Without Single-File Dynamics, David Ackerman, James W. Evans

James W. Evans

We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient Dtr(x), at various positions x within the pore ...


Engineered, Spatially Varying Isothermal Holds: Enabling Combinatorial Studies Of Temperature Effects, As Applied To Metastable Titanium Alloy Β-21s, Brian Martin, Peyman Samimi, Peter C. Collins 2017 Iowa State University

Engineered, Spatially Varying Isothermal Holds: Enabling Combinatorial Studies Of Temperature Effects, As Applied To Metastable Titanium Alloy Β-21s, Brian Martin, Peyman Samimi, Peter C. Collins

Materials Science and Engineering Publications

A novel method to systematically vary temperature and thus study the resulting microstructure of a material is presented. This new method has the potential to be used in a combinatorial fashion, allowing the rapid study of thermal holds on microstructures to be conducted. This is demonstrated on a beta titanium alloy, where the thermal history has a strong effect on microstructure. It is informed by simulation and executed using the resistive heating capabilities of a Gleeble 3800 thermomechanical simulator. Spatially varying isothermal holds of 4 h were affected, where the temperature range of the multiple isothermal holds varied by ~175 ...


Polymeric Nanoparticles For Targeted Combination Treatment Of Temozolomide Resistant Glioblastoma Multiforme (Gbm), Praveena Velpurisiva, Brandon Piel, Jack Lepine, Prakash Rai 2017 University of Massachusetts Lowell

Polymeric Nanoparticles For Targeted Combination Treatment Of Temozolomide Resistant Glioblastoma Multiforme (Gbm), Praveena Velpurisiva, Brandon Piel, Jack Lepine, Prakash Rai

UMass Center for Clinical and Translational Science Research Retreat

Glioblastoma Multiforme (GBM) is an aggressive cancer that originates from astrocytes and spreads to spinal cord and other parts of the brain. Increase in replication of glial cells leads to advantageous mutations in the tumor. According to the cancer statistics from 2015 about 15,320 deaths were reported due to GBM. Five-year survival is less than 5% making GBM a dreadful form of cancer. Current treatment involves complex invasive surgery, followed by chemotherapy and radiation. The goal of this study is to develop a combination therapy to treat GBM using Poly (lactic-co-glycolic acid) (PLGA) nanoparticles encapsulated with two drugs namely ...


Find, Build, And Export Information For 3d Printing Of Your Favorite Molecules And Crystal Structures At Two Dedicated Websites, Paul R. DeStefano, Peter Moeck 2017 Portland State University

Find, Build, And Export Information For 3d Printing Of Your Favorite Molecules And Crystal Structures At Two Dedicated Websites, Paul R. Destefano, Peter Moeck

Student Research Symposium

As 3D printers require instructions, the Nano-Crystallography Group at Portland State University is creating two websites (http://nanocrystallography.org/3dconvert/ and http://nanocrystallography.research.pdx.edu/3d-print-files/convert/) where such instructions are created, interactively, for the atomic arrangements of virtually all known molecules and crystals.

We will prepare a "pipeline" into which crystallographic information enters from two curated open access crystallographic databases, is manipulated to create the desired 3D models, and then is exported in either STL format (the standard for monochrome 3D printing) or VRML/X3D (the ISO successor to STL). The two aforementioned databases are the North-American mirror ...


Understanding Photovoltaic Properties Of Pbs Quantum Dot Solids Via Solution Contacting, Vitalii Dereviankin, Erik Johansson 2017 Portland State University

Understanding Photovoltaic Properties Of Pbs Quantum Dot Solids Via Solution Contacting, Vitalii Dereviankin, Erik Johansson

Student Research Symposium

Photovoltaic (PV) devices based on PbS quantum dot (QD) solids demonstrate high photontoelectron conversion yields. However, record power conversion efficiency remain low, in part due to small photovoltages, which in turn are affected by both bulk and interfacial defects. Their relative impacts on limiting the photovoltaic performance of QD solids are not known. Interfacial defects can be formed when contacting a semiconductor and may dominate the semiconductor/metal or metaloxide junction properties. The objective of this study is to explore whether electrochemical contacting using liquid electrolytes provides means of contacting QD solids without introducing interfacial defects. We have initially focused ...


Molecular Dynamics Simulations Of Dna-Functionalized Nanoparticle Building Blocks On Gpus, Tyler Landon Fochtman 2017 University of Arkansas, Fayetteville

Molecular Dynamics Simulations Of Dna-Functionalized Nanoparticle Building Blocks On Gpus, Tyler Landon Fochtman

Theses and Dissertations

This thesis discusses massively parallel molecular dynamics simulations of nBLOCKs using graphical processing units. nBLOCKs are nanoscale building blocks composed of gold nanoparticles functionalized with single-stranded DNA molecules. To explore greater simulation time scales we implement our nBLOCK computational model as an extension to the coarse grain molecular simulator oxDNA. oxDNA is parameterized to match the thermodynamics of DNA strand hybridization as well as the mechanics of single stranded DNA and double stranded DNA. In addition to an in-depth review of our implementation details we also provide results of the model validation and performance tests. These validation and performance tests ...


Optimization Of Reduced Graphene Oxide Deposition For Hydrogen Sensing Technologies, Matthew Pocta 2017 University of Arkansas, Fayetteville

Optimization Of Reduced Graphene Oxide Deposition For Hydrogen Sensing Technologies, Matthew Pocta

Mechanical Engineering Undergraduate Honors Theses

Graphene is known to be a key material for improving the performance of hydrogen sensors. High electrical conductivity, maximum possible surface area with respect to volume, and high carrier mobility are a few of the properties that make graphene ideal for hydrogen sensing applications. The problem with utilizing graphene is the difficulty in depositing uniform, thin layers onto substrate surfaces. This study examines a new method of optimizing graphene deposition by utilizing an airbrush to deposit both graphene oxide (GO) and reduced graphene oxide (rGO) onto glass substrates. The number of depositions were varied among samples to study the effect ...


Editorial For The Special Issue On Micro/Nano-Chip Electrokinetics, Xiangchun Xuan, Shizhi Qian 2017 Old Dominion University

Editorial For The Special Issue On Micro/Nano-Chip Electrokinetics, Xiangchun Xuan, Shizhi Qian

Mechanical & Aerospace Engineering Faculty Publications

Micro/nanofluidics-based lab-on-a-chip devices have found extensive applications in the analysis of chemical and biological samples over the past two decades. Electrokinetics is the method of choice in these micro/nano-chips for transporting, manipulating and sensing various analyte species (e.g., ions, molecules, fluids and particles, etc.) [1,2]. This Special Issue in Micromachines is aimed to provide the recent development in the field of Micro/Nano-Chip Electrokinetics. It consists of 15 papers, which cover both fundamentals and applications, original research and reviews


Infrared Energy Conversion In Plasmonic Fields At Two-Dimensional Semiconductors, Gregory Thomas Forcherio 2017 University of Arkansas, Fayetteville

Infrared Energy Conversion In Plasmonic Fields At Two-Dimensional Semiconductors, Gregory Thomas Forcherio

Theses and Dissertations

Conversion of infrared energy within plasmonic fields at two-dimensional, semiconductive transition metal dichalcogenides (TMD) through plasmonic hot electron transport and nonlinear frequency mixing has important implications in next-generation optoelectronics. Drude-Lorentz theory and approximate discrete dipole (DDA) solutions to Maxwell’s equations guided metal nanoantenna design towards strong infrared localized surface plasmon resonance (LSPR). Excitation and damping dynamics of LSPR in heterostructures of noble metal nanoantennas and molybdenum- or tungsten-disulfide (MoS2; WS2) monolayers were examined by parallel synthesis of (i) DDA electrodynamic simulations and (ii) near-field electron energy loss (EELS) and far-field optical transmission UV-vis spectroscopic measurements. Susceptibility to second-order nonlinear ...


Development And Degradation Analysis Of Novel Micro And Nanostructured Transition Metal Oxide (Tmo) Anodes For Aqueous Sodium Ion Batteries., Santanu Mukherjee 2017 University of Louisville

Development And Degradation Analysis Of Novel Micro And Nanostructured Transition Metal Oxide (Tmo) Anodes For Aqueous Sodium Ion Batteries., Santanu Mukherjee

Electronic Theses and Dissertations

One of the primary motivations driving battery technology research is the need to develop cleaner and more efficient energy storage systems. The portable electronics industry has developed exponentially, especially over the last couple of decades and therefore the importance of efficient electrochemical energy storage systems cannot be overstated. Li-ion batteries have been the predominant rechargeable energy in use, however, they have their own particular drawbacks viz. flammability of the electrolyte, expensive mining of the Li metal etc. This is where the importance of Na-ion batteries lie. This research focuses on using existing transition metal oxides (TMOs) and tuning their crystal ...


Total N-Nitrosamine Precursor Adsorption With Carbon Nanotubes: Elucidating Controlling Physiochemical Properties And Developing A Size-Resolved Precursor Surrogate, Erin Needham 2017 University of Arkansas, Fayetteville

Total N-Nitrosamine Precursor Adsorption With Carbon Nanotubes: Elucidating Controlling Physiochemical Properties And Developing A Size-Resolved Precursor Surrogate, Erin Needham

Theses and Dissertations

As drinking water sources become increasingly impaired with nutrients and wastewater treatment plant (WWTP) effluent, formation of disinfection byproducts (DBPs) – such as trihalomethanes (THMs), dihaloacetonitriles (DHANs), and N-nitrosamines – during water treatment may also increase. N-nitrosamines may comprise the bulk of the chronic toxicity in treated drinking waters despite forming at low ng/L levels. This research seeks to elucidate physicochemical properties of carbon nanotubes (CNTs) for removal of DBP precursors, with an emphasis on total N-nitrosamines (TONO).

Batch experiments with CNTs were completed to assess adsorption of THM, DHAN, and TONO precursors; physiochemical properties of CNTs were quantified through gas ...


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