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Articles 31 - 60 of 353

Full-Text Articles in Physics

The Crystal Facet-Dependent Electrochemical Performance Of Tio2 Nanocrystals For Heavy Metal Detection: Theoretical Prediction And Experimental Proof, Jianjun Liao, Fan Yang, Cai-Zhuang Wang, Shiwei Lin May 2018

The Crystal Facet-Dependent Electrochemical Performance Of Tio2 Nanocrystals For Heavy Metal Detection: Theoretical Prediction And Experimental Proof, Jianjun Liao, Fan Yang, Cai-Zhuang Wang, Shiwei Lin

Ames Laboratory Accepted Manuscripts

Tailored design/fabrication of electroanalytical materials with highly-active exposed crystal planes is of great importance for the development of electrochemical sensing. In this work, combining experimental and theoretical efforts, we reported a facile strategy to fabricate TiO2 nanocrystals with tunable electrochemical performance for heavy metal detection. Density functional theory (DFT) calculations indicated that TiO2 (001) facet showed relative larger adsorption energy and lower diffusion energy barrier toward heavy metal ions, which is favorable for obtaining better electrochemical stripping behaviors. Based on this prediction, a series of TiO2 nanocrystals with different ratios of exposed (001) and (101) facets were synthesized. Electrochemical ...


Microwave Acoustic Saw Resonators For Stable High-Temperature Harsh-Environment Static And Dynamic Strain Sensing Applications, Anin K. Maskay May 2018

Microwave Acoustic Saw Resonators For Stable High-Temperature Harsh-Environment Static And Dynamic Strain Sensing Applications, Anin K. Maskay

Electronic Theses and Dissertations

High-temperature, harsh-environment static and dynamic strain sensors are needed for industrial process monitoring and control, fault detection, structural health monitoring in power plant environments, steel and refractory material manufacturing, aerospace, and defense applications. Sensor operation in the aforementioned extreme environments require robust devices capable of sustaining the targeted high temperatures, while maintaining a stable sensor response. Current technologies face challenges regarding device or system size, complexity, operational temperature, or stability.

Surface acoustic wave (SAW) sensor technology using high temperature capable piezoelectric substrates and thin film technology has favorable properties such as robustness; miniature size; capability of mass production; reduced installation ...


Mesoscale Computational Studies Of Thin-Film Bijels, Joseph M. Carmack May 2018

Mesoscale Computational Studies Of Thin-Film Bijels, Joseph M. Carmack

Theses and Dissertations

Bijels are a relatively new class of soft materials that have many potential applications in the technology areas of energy, medicine, and environmental sustainability. They are formed by the arrest of binary liquid spinodal decomposition by a dispersion of solid colloidal nanoparticles. This dissertation presents an in-depth simulation study of Bijels constrained to thin-film geometries and in the presence of electric fields. We validate the computational model by comparing simulation results with previous computational modeling and experimental research. In the absence of suspended particles, we demonstrate that the model accurately captures the rich kinetics associated with diffusion-based surface-directed spinodal decomposition ...


Investigating Phase Transition Temperatures Of Size Separated Gadolinium Silicide Magnetic Nanoparticles, Shivakumar G. Hunagund, Shane M. Harstad, Ahmed A. El-Gendy, Shalbh Gupta, Vitalij K. Pecharsky, Ravi L. Hadimani May 2018

Investigating Phase Transition Temperatures Of Size Separated Gadolinium Silicide Magnetic Nanoparticles, Shivakumar G. Hunagund, Shane M. Harstad, Ahmed A. El-Gendy, Shalbh Gupta, Vitalij K. Pecharsky, Ravi L. Hadimani

Ames Laboratory Accepted Manuscripts

Gadolinium silicide (Gd5Si4) nanoparticles (NPs) exhibit different properties compared to their parent bulk materials due to finite size, shape, and surface effects. NPs were prepared by high energy ball-milling of the as-cast Gd5Si4ingot and size separated into eight fractions using time sensitive sedimentation in an applied dc magnetic field with average particle sizes ranging from 700 nm to 82 nm. The largest Gd5Si4 NPs order ferromagnetically at 316 K. A second anomaly observed at 110 K can be ascribed to a Gd5Si3 impurity. As the particle sizes decrease, the volume fraction of Gd5Si3 phase increases at the expense of the ...


Swelling As A Stabilizing Mechanism During Ion Bombardment Of Thin Films: An Analytical And Numerical Study, Jennifer M. Swenson Apr 2018

Swelling As A Stabilizing Mechanism During Ion Bombardment Of Thin Films: An Analytical And Numerical Study, Jennifer M. Swenson

Mathematics Theses and Dissertations

Irradiation of semiconductor surfaces often leads to the spontaneous formation of rippled structures at certain irradiation angles. However, at high enough energies, these structures are observed to vanish for all angles, despite the absence of any identified, universally-stabilizing physical mechanisms in operation. Here, we examine the effect on pattern formation of radiation-induced swelling, which has been excluded from prior treatments of stress in irradiated films. After developing a suitable continuum model, we perform a linear stability analysis to determine its effect on stability. Under appropriate simplifying assumptions, we find swelling indeed to be stabilizing at wavenumbers typical of experimental observations ...


Plasmonic And Upconversion Nanoparticles For Bladder Cancer Treatment, Suehyun Katherine Cho Apr 2018

Plasmonic And Upconversion Nanoparticles For Bladder Cancer Treatment, Suehyun Katherine Cho

Electrical, Computer & Energy Engineering Graduate Theses & Dissertations

This thesis reports syntheses and surface modifications of various nanoparticles, including plasmonic, upconversion, and indium tin oxide nanoparticles for in situ bladder cancer detection and treatment.

The first part of this thesis reports a new and efficient polyethylene glycol (PEG) coating of gold nanorods (AuNRs). This coating technique is proven not only to be more stable in water compared to conventional coating methods, but also allows conjugation of an anti-epidermal growth factor receptor, C-225 antibodies. The AuNRs conjugated with C-225 antibodies (CNR) is then used in both in vitro and in vivo settings to demonstrate specific, targeted treatment capabilities by ...


Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher Carr Mar 2018

Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher Carr

Dissertations

Recent efforts have demonstrated confinement in porous scaffolds at the nanoscale can alter the hydrogen sorption properties of metal hydrides, though not to an extent feasible for use in onboard hydrogen storage applications, proposing the need for a method allowing further modifications. The work presented here explores how the functionalization of nanoporous carbon scaffold surfaces with heteroatoms can modify the hydrogen sorption properties of confined metal hydrides in relation to non-functionalized scaffolds (FS). Investigations of nanoconfined LiBH4and NaAlH4indicate functionalizing the carbon scaffold surface with nitrogen can shift the activation energy of hydrogen desorption in excess of ...


Electroosmotic Flow Of Viscoelastic Fluid In A Nanoslit, Lanju Mei, Hongna Zhang, Hongxia Meng, Shizhi Qian Mar 2018

Electroosmotic Flow Of Viscoelastic Fluid In A Nanoslit, Lanju Mei, Hongna Zhang, Hongxia Meng, Shizhi Qian

Mechanical & Aerospace Engineering Faculty Publications

The electroosmotic flow (EOF) of viscoelastic fluid in a long nanoslit is numerically studied to investigate the rheological property effect of Linear Phan-Thien-Tanner (LPTT) fluid on the fully developed EOF. The non-linear Poisson-Nernst-Planck equations governing the electric potential and the ionic concentration distribution within the channel are adopted to take into account the effect of the electrical double layer (EDL), including the EDL overlap. When the EDL is not overlapped, the velocity profiles for both Newtonian and viscoelastic fluids are plug-like and increase sharply near the charged wall. The velocity profile resembles that of pressure-driven flow when the EDL is ...


Nanostructural Origin Of Semiconductivity And Large Magnetoresistance In Epitaxial Nico2O4/Al2O3 Thin Films, Congmian Zhen, Xiaozhe Zhang, Wengang Wei, Wenzhe Guo, Ankit Pant, Xiaoshan Xu, Jian Shen, Li Ma, Denglu Hou Mar 2018

Nanostructural Origin Of Semiconductivity And Large Magnetoresistance In Epitaxial Nico2O4/Al2O3 Thin Films, Congmian Zhen, Xiaozhe Zhang, Wengang Wei, Wenzhe Guo, Ankit Pant, Xiaoshan Xu, Jian Shen, Li Ma, Denglu Hou

Xiaoshan Xu Papers

Despite low resistivity (~1 mΩ cm), metallic electrical transport has not been commonly observed in inverse spinel NiCo2O4, except in certain epitaxial thin films. Previous studies have stressed the effect of valence mixing and the degree of spinel inversion on the electrical conduction of NiCo2O4 films. In this work, we studied the effect of nanostructural disorder by comparing the NiCo2O4 epitaxial films grown on MgAl2O4 (1 1 1) and on Al2O3 (0 0 1) substrates. Although the optimal growth conditions are similar for the NiCo ...


Liquid Crystals Formed By Short Dna Oligomers And The Origin Of Life, Gregory Patrick Smith Jan 2018

Liquid Crystals Formed By Short Dna Oligomers And The Origin Of Life, Gregory Patrick Smith

Physics Graduate Theses & Dissertations

When dissolved in water, base paired DNA oligomers form double helices with sufficient structural rigidity that, if they are at high enough concentration, can undergo a phase transition into chiral nematic or hexagonal columnar liquid crystalline (LC) order. Within these LC phases, constrained orientation allows these rods to stack more efficiently by hydrophobic forces than they would otherwise, building them into long double helical aggregates that can be chemically glued together (ligated) to further increase their lengths. Even in absence of chemical ligation, this stacking effect is strong enough that short DNA oligomers, which are otherwise too short to form ...


Revealing The Nanoscale Structure And Properties Of The Twist-Bend Nematic Liquid Crystal Phase, Michael Ryan Tuchband Jan 2018

Revealing The Nanoscale Structure And Properties Of The Twist-Bend Nematic Liquid Crystal Phase, Michael Ryan Tuchband

Physics Graduate Theses & Dissertations

The nematic phases of liquid crystals have been the most thoroughly investigated since the founding of the liquid crystal field in the early 1900’s. The resulting technologies, most notably the liquid crystal display, have changed our world and spawned an entire industry. Consequently, the recent identification of a new type of nematic – the twist-bend nematic – was met with as much surprise as excitement, as it melds the fluid properties and environmental responsiveness of conventional nematics with the intrinsic polarization and complex ordering of bent-core liquid crystals. I summarize the history of the twist-bend nematic phase, charting the development of ...


Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn Jan 2018

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of ...


Plasmon-Enhanced Optical Sensing By Engineering Metallic Nanostructures, Peng Zheng Jan 2018

Plasmon-Enhanced Optical Sensing By Engineering Metallic Nanostructures, Peng Zheng

Graduate Theses, Dissertations, and Problem Reports

The world’s booming population projected to reach 10 billion by 2050 causes enormous stresses on environmental safety, food supply, and healthcare, which in return threatens human civilizations. One of the most promising solutions lies at innovating point-of-care (POC) sensing technologies to conduct detection of environmental hazards, monitoring of food safety, and early diagnosis of diseases in a timely and accurate manner. The discovery of surface-enhanced spectroscopy in the 1970s has significantly stimulated research on light-matter interaction which gives rise to enhanced optical phenomena such as surface-enhanced Raman scattering (SERS), plasmon-enhanced fluorescence (PEF), and particularly, they have found enormous applications ...


Interface Energy Transport Of Two-Dimensional (2d) Mos2, Pengyu Yuan Jan 2018

Interface Energy Transport Of Two-Dimensional (2d) Mos2, Pengyu Yuan

Graduate Theses and Dissertations

The bottleneck of most modern technologies and energy solutions has been attributed to the thermal problems at the nanoscale. Especially, the thermal transport across interfaces and in-plane direction can significantly influence the overall performance of 2D nanosystems. So accurate thermal-physical characterization of the 2D materials is very important for both fundamental research and industrial applications.

Focusing on 2D mechanically exfoliated MoS2, at first, we conduct a detailed temperature and laser power dependent micro-Raman spectroscopy study of FL MoS2 (4.2 to 45 nm thick) on c-Si substrate. We measured the interfacial thermal resistance (R) at room temperature decreases with increased ...


Effects Of Grain Boundary Disorder On Yield Strength, Valery Borovikov, Mikhail I. Mendelev, Alexander H. King Jan 2018

Effects Of Grain Boundary Disorder On Yield Strength, Valery Borovikov, Mikhail I. Mendelev, Alexander H. King

Materials Science and Engineering Publications

It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the formation of these films affects the dislocation nucleation from the GBs. We found that full disorder of the grain boundary structure leads to the suppression of dislocation emission and significant increase of the yield stress. Depending on the solute concentration and heat-treatment, however, a partial disorder may also occur and this aids dislocation nucleation rather than suppressing it, resulting in elimination of ...


Shear Driven Formation Of Nano-Diamonds At Sub-Gigapascals And 300 K, Yang Gao, Yanzhang Ma, Qi An, Valery I. Levitas, Yanyan Zhang, Biao Feng, Jharna Chaudhuri, William A. Goddard Jan 2018

Shear Driven Formation Of Nano-Diamonds At Sub-Gigapascals And 300 K, Yang Gao, Yanzhang Ma, Qi An, Valery I. Levitas, Yanyan Zhang, Biao Feng, Jharna Chaudhuri, William A. Goddard

Materials Science and Engineering Publications

The transformation pathways of carbon at high pressures are of broad interest for synthesis of novel materials and for revealing the Earth's geological history. We have applied large plastic shear on graphite in rotational anvils to form hexagonal and nanocrystalline cubic diamond at extremely low pressures of 0.4 and 0.7 GPa, which are 50 and 100 times lower than the transformation pressures under hydrostatic compression and well below the phase equilibrium. Large shearing accompanied with pressure elevation to 3 GPa also leads to formation of a new orthorhombic diamond phase. Our results demonstrate new mechanisms and new ...


Interpolymer Complexation As A Strategy For Nanoparticle Assembly And Crystallization, Srikanth Nayak, Nathan Horst, Honghu Zhang, Wenjie Wang, Surya Mallapragada, Alex Travesset, David Vaknin Jan 2018

Interpolymer Complexation As A Strategy For Nanoparticle Assembly And Crystallization, Srikanth Nayak, Nathan Horst, Honghu Zhang, Wenjie Wang, Surya Mallapragada, Alex Travesset, David Vaknin

Chemical and Biological Engineering Publications

Controlled self-assembly of nanoparticles into ordered structures is a major step in fabricating nanotechnology based devices. Here, we report on the self-assembly of high quality superlattices of nanoparticles in aqueous suspensions induced via interpolymer complexation. Using small angle X-ray scattering, we demonstrate that the NPs crystallize into superlattices of FCC symmetry, initially driven by hydrogen bonding and subsequently by van der Waals forces between the complexed coronas of hydrogen-bonded polymers. We show that the lattice constant and crystal quality can be tuned by polymer concentration, suspension pH and the length of polymer chains. Interpolymer complexation to assemble nanoparticles is scalable ...


Ordered Networks Of Gold Nanoparticles Crosslinked By Dithiol‐Oligomers, Srikanth Nayak, Nathan Horst, Honghu Zhang, Wenjie Wang, Surya Mallapragada, Alex Travesset, David Vaknin Jan 2018

Ordered Networks Of Gold Nanoparticles Crosslinked By Dithiol‐Oligomers, Srikanth Nayak, Nathan Horst, Honghu Zhang, Wenjie Wang, Surya Mallapragada, Alex Travesset, David Vaknin

Chemical and Biological Engineering Publications

Controlled aggregation of nanoparticles into superlattices is a grand challenge in material science, where ligand based self‐assembly is the dominant route. Here, the self‐assembly of gold nanoparticles (AuNPs) that are crosslinked by water soluble oligo‐(ethylene glycol)‐dithiol (oEG‐dithiol) is reported and their 3D structure by small angle X‐ray scattering is determined. Surprisingly, a narrow region is found in the parameter space of dithiol linker‐length and nanoparticle size for which the crosslinked networks form short‐ranged FCC crystals. Using geometrical considerations and numerical simulations, the stability of the formed lattices is evaluated as a function ...


Magnetic And Catalytic Properties Of Transition Metal Doped Mos2 Nanocrystals, Luis Martinez Jan 2018

Magnetic And Catalytic Properties Of Transition Metal Doped Mos2 Nanocrystals, Luis Martinez

Open Access Theses & Dissertations

Magnetism and catalytic activity of nanoscale layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have gained an increasing research interest in the recent past. To broaden the current knowledge and understanding on this subject, in this work, together with my collaborators, I study the magnetic and electrocatalytic properties of hydrothermally grown pristine and transition metal doped (10% of Co, Ni, Fe and Mn) 2H-MoS2 nanosheets/nanocrystals (NCs), with the particle size of 25-30 nm. A broad range of experimental measurements such as x-ray diffraction, transmission electron microscopy, x-ray photo absorption spectroscopy, Raman spectroscopy, magnetic, catalytic and electron spin resonance have been ...


Characterizing The Energetic Landscape In Solution Processable Solar Cells Via Frequency-Dependent Impedance Measurements, Eric S. Wong Jan 2018

Characterizing The Energetic Landscape In Solution Processable Solar Cells Via Frequency-Dependent Impedance Measurements, Eric S. Wong

Publicly Accessible Penn Dissertations

This thesis presents measurements and analyses aimed at describing charge transport dynamics in quantum dot (QD) photovoltaics (PVs). Due to their solution processability and unique size-dependent optoelectronic properties, ensembles of electronically coupled QDs (QD solids) provide an exciting platform for next generation PV devices. However, the structural disorder associated with the formation of conductive QD solids gives rise to a complicated density of states (DOS) emerging from the distribution of mesoscale charge dynamics occurring in these materials.

I present phenomological models to describe the DOS in the disordered energetic and spatial landscape of QD solids that relies on a suite ...


Diffusion Of Two-Dimensional Epitaxial Clusters On Metal (100) Surfaces: Facile Versus Nucleation-Mediated Behavior And Their Merging For Larger Sizes, King C. Lai, Da-Jiang Liu, James W. Evans Dec 2017

Diffusion Of Two-Dimensional Epitaxial Clusters On Metal (100) Surfaces: Facile Versus Nucleation-Mediated Behavior And Their Merging For Larger Sizes, King C. Lai, Da-Jiang Liu, James W. Evans

Ames Laboratory Accepted Manuscripts

For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal (100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN∼N−β with β=3/2. However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N<9; (ii) slow nucleation-mediated diffusion with small β<1 for “perfect” sizes N=Np=L2 or L(L+1), for L=3,4, ... having unique ground-state shapes, for moderate sizes 9≤N≤O(102); the same also applies for N=Np+3, Np+4, ...(iii) facile diffusion but with large β>2 for N=Np+1 and Np+2 also for moderate sizes 9≤N≤O(102); (iv) merging of the above distinct branches and subsequent anomalous scaling with 1≲β<3/2, reflecting the quasifacetted structure of clusters, for larger N=O(102) to N=O(103); (v) classic scaling with β=3/2 for very large N=O(103) and above. The specified size ranges apply for typical model parameters. We focus on the moderate size regime where we show that diffusivity cycles quasiperiodically from the slowest branch for Np+3 (not Np) to the fastest branch for Np+1. Behavior is quantified by kinetic Monte Carlo simulation of an appropriate stochastic lattice-gas model. However, precise analysis must account for a strong enhancement of diffusivity for short time increments due to back correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground-state and low-lying excited state cluster configurations, and also of kink populations.


Ionic Depletion At The Crystalline Gibbs Layer Of Peg-Capped Gold Nanoparticle Brushes At Aqueous Surfaces, Wenjie Wang, Honghu Zhang, Surya Mallapragada, Alex Travesset, David Vaknin Dec 2017

Ionic Depletion At The Crystalline Gibbs Layer Of Peg-Capped Gold Nanoparticle Brushes At Aqueous Surfaces, Wenjie Wang, Honghu Zhang, Surya Mallapragada, Alex Travesset, David Vaknin

Ames Laboratory Accepted Manuscripts

In situ surface-sensitive x-ray diffraction and grazing incidence x-ray fluorescence spectroscopy (GIXFS) methods are combined to determine the ionic distributions across the liquid/vapor interfaces of thiolated-polyethylene-glycol–capped gold nanoparticle (PEG-AuNP) solutions. Induced by the addition of salts (i.e., Cs2SO4) to PEG-AuNPs solutions, two-dimensional hexagonal lattices of PEG-AuNPs form spontaneously at the aqueous surfaces, as is demonstrated by x-ray reflectivity and grazing incidence small-angle x-ray scattering. By taking advantage of element specificity with the GIXFS method, we find that the cation Cs+ concentration at the crystalline film is significantly reduced in parts of the PEG-AuNP film compared with that ...


Synergistic Interactions Of H2 And N2 With Molten Gallium In The Presence Of Plasma, Maria L. Carreon, Daniel F. Jaramillo-Cabanzo, Indira Chaudhuri, Madhu Menon, Mahendra K. Sunkara Dec 2017

Synergistic Interactions Of H2 And N2 With Molten Gallium In The Presence Of Plasma, Maria L. Carreon, Daniel F. Jaramillo-Cabanzo, Indira Chaudhuri, Madhu Menon, Mahendra K. Sunkara

Physics and Astronomy Faculty Publications

The present study examines the interaction of hydrogen and nitrogen plasmas with gallium in an effort to gain insights into the mechanisms behind the synergetic effect of plasma and a catalytic metal. Absorption/desorption experiments were performed, accompanied by theoretical-computational calculations. Experiments were carried out in a plasma-enhanced, Ga-packed, batch reactor and entailed monitoring the change in pressure at different temperatures. The results indicated a rapid adsorption/dissolution of the gas into the molten metal when gallium was exposed to plasma, even at a low temperature of 100 °C. The experimental observations, when hydrogen was used, indicate that gallium acts ...


Generalized Ellipsometry On Complex Nanostructures And Low-Symmetry Materials, Alyssa Mock Dec 2017

Generalized Ellipsometry On Complex Nanostructures And Low-Symmetry Materials, Alyssa Mock

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

In this thesis, complex anisotropic materials are investigated and characterized by generalized ellipsometry. In recent years, anisotropic materials have gained considerable interest for novel applications in electronic and optoelectronic devices, mostly due to unique properties that originate from reduced crystal symmetry. Examples include white solid-state lighting devices which have become ubiquitous just recently, and the emergence of high-power, high-voltage electronic transistors and switches in all-electric vehicles. The incorporation of single crystalline material with low crystal symmetry into novel device structures requires reconsideration of existing optical characterization approaches. Here, the generalized ellipsometry concept is extended to include applications for materials with ...


Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha Dec 2017

Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha

Doctoral Dissertations

The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and simulation studies have confirmed fast water transport rates comparable to those seen in biological aquaporin channels. These outstanding features of high water permeability and high solute rejection of even dissolved ions that would typically require a lot of energy for separation in commercial processes makes carbon nanotubes an exciting candidate for desalination membranes. Extending ion exclusion beyond simple mechanical sieving by the inclusion of electrostatics via added functionality to the nanotube bears promise to not ...


Structural And Elastic Properties Of Degenerate Sno Monolayers At Finite Temperature, Afsana Sharmin Dec 2017

Structural And Elastic Properties Of Degenerate Sno Monolayers At Finite Temperature, Afsana Sharmin

Theses and Dissertations

Chalcogen-based layered superconductors with a litharge structure such as FeS and FeSe mono-layers undergo structural and superconducting phase transitions that are tunable by doping. Representing another material platform with a litharge structure but without valence d-electrons, SnO monolayers also display a structural ground state with a degenerate rectangular unit cell at zero temperature and a charge-tunable energy barrier that leads to a thermally-controllable structural phase change. Doped SnO monolayers with rectangular degenerate unit cells give rise to two-dimensional multiferroicity. Their two-dimensional elastic energy landscape adopts a basic analytic expression that is employed to discuss this structural transition. The results contained ...


Optical Absorption Properties Of Ge2–44 And P-Doped Ge Nanoparticles, Wei Qin, Wen-Cai Lu, Li-Zhen Zhao, Kai-Ming Ho, Cai-Zhuang Wang Dec 2017

Optical Absorption Properties Of Ge2–44 And P-Doped Ge Nanoparticles, Wei Qin, Wen-Cai Lu, Li-Zhen Zhao, Kai-Ming Ho, Cai-Zhuang Wang

Ames Laboratory Accepted Manuscripts

The optical absorption properties of non-crystalline and crystalline Ge nanoparticles with the sizes from ∼2.5 to 15 Å have been studied at the B3LYP/6-31G level using time-dependent density functional theory. Hydrogen passivation and phosphorus doping on some selected Ge nanoparticles were also calculated. With the increase of cluster size, the optical absorption spectra of the non-crystalline Ge nanoparticles change from many peaks to a continuous broad band and at the same time exhibit a systematic red-shift. Doping phosphorus also causes the absorption spectra to shift toward the lower energy region for both non-crystalline and crystalline Ge nanoparticles. The ...


Communication: Diverse Nanoscale Cluster Dynamics: Diffusion Of 2d Epitaxial Clusters, King C. Lai, James W. Evans, Da-Jiang Liu Nov 2017

Communication: Diverse Nanoscale Cluster Dynamics: Diffusion Of 2d Epitaxial Clusters, King C. Lai, James W. Evans, Da-Jiang Liu

Ames Laboratory Accepted Manuscripts

The dynamics of nanoscale clusters can be distinct from macroscale behavior described by continuum formalisms. For diffusion of 2D clusters of N atoms in homoepitaxial systems mediated by edge atom hopping, macroscale theory predicts simple monotonic size scaling of the diffusion coefficient, DN ∼ N−β, with β = 3/2. However, modeling for nanoclusters on metal(100) surfaces reveals that slow nucleation-mediated diffusion displaying weak size scaling β < 1 occurs for “perfect” sizes Np = L2 and L(L+1) for integer L = 3,4,… (with unique square or near-square ground state shapes), and also for Np+3, Np+4,…. In contrast, fast facile nucleation-free diffusion displaying strong size scaling β ≈ 2.5 occurs for sizes Np+1 and Np+2. DN versus N oscillates strongly between the slowest branch (for Np+3) and the fastest branch (for Np+1). All branches merge for N = O(102), but macroscale behavior is only achieved for much larger N = O(103). This analysis reveals the unprecedented diversity of behavior on the nanoscale.


Design And Simulation Of A Miniature Cylindrical Mirror Auger Electron Energy Analyzer With Secondary Electron Noise Suppression, Jay A. Bieber Nov 2017

Design And Simulation Of A Miniature Cylindrical Mirror Auger Electron Energy Analyzer With Secondary Electron Noise Suppression, Jay A. Bieber

Graduate Theses and Dissertations

In the nanoscale metrology industry, there is a need for low-cost instruments, which have the ability to probe the structrure and elemental composition of thin films. This dissertation, describes the research performed to design and simulate a miniature Cylindrical Mirror Analyzer, (CMA), and Auger Electron Spectrometer, (AES). The CMA includes an integrated coaxial thermionic electron source. Electron optics simulations were performed using the Finite Element Method, (FEM), software COMSOL. To address the large Secondary Electron, (SE), noise, inherent in AES spectra, this research also included experiments to create structures in materials, which were intended to suppress SE backgound noise in ...


Electromagnetic Shielding Effectiveness Of 3d Printed Polymer Composites, Z. Viskadourakis, K. C. Vasilopoulos, E. N. Economou, Costas M. Soukoulis, G. Kenanakis Nov 2017

Electromagnetic Shielding Effectiveness Of 3d Printed Polymer Composites, Z. Viskadourakis, K. C. Vasilopoulos, E. N. Economou, Costas M. Soukoulis, G. Kenanakis

Ames Laboratory Accepted Manuscripts

We report on preliminary results regarding the electromagnetic shielding effectiveness of various 3D printed polymeric composite structures. All studied samples were fabricated using 3D printing technology, following the fused deposition modeling approach, using commercially available filaments as starting materials. The electromagnetic shielding performance of the fabricated 3D samples was investigated in the so called C-band of the electromagnetic spectrum (3.5–7.0 GHz), which is typically used for long-distance radio telecommunications. We provide evidence that 3D printing technology can be effectively utilized to prepare operational shields, making them promising candidates for electromagnetic shielding applications for electronic devices.