Nanoscience and Nanotechnology Commons^™

Uncertainty Propagation In A Multiscale Model Of Nanocrystalline Plasticity, Marisol Koslowski, Alejandro Strachan

PRISM: NNSA Center for Prediction of Reliability, Integrity and Survivability of Microsystems

We characterize how uncertainties propagate across spatial and temporal scales in a physicsbased model of nanocrystalline plasticity of fcc metals. Our model combines molecular dynamics (MD) simulations to characterize atomic level processes that govern dislocation basedplastic deformation with a phase field approach to dislocation dynamics (PFDD) that describes how an ensemble of dislocations evolve and interact to determine the mechanical response of the material. We apply this approach to a nanocrystalline Ni specimen of interest in micro-electromechanical (MEMS) switches. Our approach enables us to quantify how internal stresses that result from the fabrication process affect the properties of dislocations (using …

Generalized Ellipsometry On Sculptured Thin Films Made By Glancing Angle Deposition, Daniel Schmidt

Department of Electrical and Computer Engineering: Dissertations, Theses, and Student Research

In this thesis, physical properties of highly optically and magnetically anisotropic metal sculptured thin films made by glancing angle deposition are presented. Predominantly, the determination of optical and magneto-optical properties with spectroscopic generalized Mueller matrix ellipsometry and homogenization approaches is discussed. Nomenclatures are proposed to unambiguously identify the sculptured thin film geometry.

Generalized ellipsometry, a non-destructive optical characterization technique, is employed to determine geometrical structure and anisotropic dielectric properties of highly spatially coherent three-dimensionally nanostructured thin films in the spectral range from 400 to 1700 nm. The analysis of metal slanted columnar thin films (F1-STFs) deposited at glancing angle ( …

Molecular Physics Of Electrical Double Layers In Electrochemical Capacitors, Guang Feng

All Dissertations

At present, electrochemical capacitors (ECs) are emerging as a novel type of energy storage devices and have attracted remarkable attention, due to their key characteristics, such as high power density and excellent durability. However, the moderate energy density of ECs restricts their widespread deployment in everyday technology. To surmount this limitation, four strategies are adopted: (1) to reduce the total system mass, (2) to increase the specific surface area of electrodes, (3) to enhance normalized capacitance, and (4) to expand the range of potentials applied on electrodes. The implementation of these approaches critically relies on the fundamental understanding of physical …

Small-Scale Solutions To Grand Challenges In Thermal Management, Suresh V. Garimella

Birck and NCN Publications

Research needs in the field of thermal management of microelectronics and microsystems are identified, followed by a brief discussion of recent advances in solution approaches. These include novel solutions that rely on two-phase flow at the microscale, micropumps, droplet actuation on structured surfaces, passive transport in wick structures, ion-driven and piezoelectrically driven airflow, nanostructured thermal materials, and novel diagnostic tools.

Photoelectrochemical Properties Of N, S, And Cl Modified Nano Tio2 Thin Films, Hong Yun, Chang-Jian Lin, Jing Li, Rong-Gui Du

Journal of Electrochemistry

The nitrogen(N),sulfur(S) and chlorine(Cl) modified nano TiO₂ thin films were prepared by adding Ti(O-n-Bu)₄ as the precursor into concentrated HNO₃,H₂SO₄ and HCl Solutions,respectively,on different substrates in a sol-gel process.The photoelectrochemical performances of N,S and Cl modified nano TiO₂ thin films have been studied by UV-vis(DRS),photocurrent curves,EIS and OCP-time curves.N-modified TiO₂ nano films show better surface structure,which helps to improve the quantum efficiency of nano TiO₂ thin films.

Study Of The 11-Ferrocenylalkanethiol Redox-Induced Structure Changes By Flow-Injection Electrochemical Surface Plasmon Resonance, Xiu-Juan Xiao, Yong-Hui He, Juan Xiang, Bin Ren

Journal of Electrochemistry

Redox-induced orientation changes of self-assembled monolayers(SAMs) of 11-ferrocenylundecanethiol(FcC₁₁SH) were studied by the flow-injection electrochemical surface plasmon resonance(FI-EC-SPR).Results indicated that there existed two mechanisms concerning the redox-induced structure change of the self-assembled monolayer of ferrocenylalkanethiols:the electrostatic repulsion between the positively charged surface and the ferricenium cation and that among the cations led to a decrease in the tilt angle of the alkanethiol chain;upon Fc oxidation,the Fc group rotated from a tilted conformation to a position where the cyclpentyldiene plane became perpendicular to the electrode.

Synthesis Of Mild–Hard Aao Templates For Studying Magnetic Interactions Between Metal Nanowires, Jin-Hee Lim, Aurelian Rotaru, Seong-Gi Min, Leszek Malkinski, John B. Wiley

Physics Faculty Publications

The sequential application of mild and hard anodization techniques in the fabrication of porous aluminamembranes allows one to decrease the number of continuous pores in anodized aluminium oxide (AAO) templates. Initially, standard mild anodization techniques were used to create porous templates with 100 nm interpore distances and 70 nm pore diameters. Hard anodization treatment on the same membrane then produced interpore distances of about 265 nm with diameters of 110 nm. At the interface between the two anodization steps, many of the mild-side pores were terminated to create a mild–hard membrane (Mi–Ha AAO) where the functional interpore distances were 200–300 …

Surface Morphology Of Platelet Adhesion Influenced By Activators, Inhibitors And Shear Stress, Melanie Groan Watson

Doctoral Dissertations

Platelet activation involves multiple events, one of which is the generation and release of nitric oxide (NO), a platelet aggregation inhibitor. Platelets simultaneously send and receive various agents that promote a positive and negative feedback control system during hemostasis. Although the purpose of platelet-derived NO is not fully understood, NO is known to inhibit platelet recruitment. NO's relatively large diffusion coefficient allows it to diffuse more rapidly than platelet agonists. It may thus be able to inhibit recruitment of platelets near the periphery of a growing thrombus before agonists have substantially accumulated in those regions.

Results from two studies in …

An Improved Layer-By-Layer Self-Assembly Technique To Generate Biointerfaces For Platelet Adhesion Studies: Dynamic Lbl, Juan Manuel Lopez

Doctoral Dissertations

Layer-by-layer self-assembly (LbL) is a technique that generates engineered nano-scale films, coatings, and particles. These nanoscale films have recently been used in multiple biomedical applications. Concurrently, microfabrication methods and advances in microfluidics are being developed and combined to create "Lab-on-a-Chip" technologies. The potential to perform complex biological assays in vitro as a first-line screening technique before moving on to animal models has made the concept of lab on a chip a valuable research tool.

Prior studies in the Biofluids Laboratory at Louisiana Tech have used layer-by-layer and in vitro biological assays to study thrombogenesis in a controlled, repeatable, engineered environment. …

Halloysite Clay Nanotubes For Controlled Delivery Of Chemically Active Agents, Elshard Abdullayev

Doctoral Dissertations

In this work we explored the capabilities of halloysite nanotubes as capsules for encapsulation and controlled delivery of the chemically and biologically active substances. Halloysite is a two-layered aluminosilicate which has a predominantly hollow tubular structure in the submicron range and is chemically similar to kaolinite [1, 2].

In the first section of this work, we analyzed the structure of the halloysite nanotubes as well as its capability to encapsulate and deliver biologically and chemically active agents, similarities and differences between release characteristics of different agents and how these differences relate with their chemical structure. Models were used to describe …

Intracellular Localisation, Geno- And Cytotoxic Response Of Poly N-Isopropylacrylamide (Pnipam) Nanoparticles To Human Keratinocyte (Hacat) And Colon Cells (Sw 480), Pratap Naha, Kunal Bhattacharya, Tiziana Tenuta, Kenneth Dawson, Iseult Lynch, Amaya Gracia, Fiona Lyng, Hugh Byrne

Articles

PNIPAM nanoparticles, with and without a covalentlylinked fluorescent label, were prepared by a free radical polymerisation technique. The cyto and genotoxicity of PNIPAM nanoparticles were analysed in two representative mammalian cell lines, SW480, a colon, and HaCaT, a dermal cell line. Physical characterisation in terms of particle size and zeta potential of the PNIPAM nanoparticles was carried out both in aqueous solution and in the appropriate cell culture media. Uptake and colocalisation of fluorescently labelled PNIPAM nanoparticles was monitored in both cell lines using confocal laser scanning microscopy. Genotoxicity analysis using the Comet assay was performed in both cell lines …

Coherent Electron Transport By Adiabatic Passage In An Imperfect Donor Chain, Rajib Rahman, Richard P. Muller, James E. Levy, Malcolm S. Carroll, Gerhard Klimeck, Andrew D. Greentree, Lloyd C. L. Hollenberg

Birck and NCN Publications

Coherent Tunneling Adiabatic Passage (CTAP) has been proposed as a long-range physical qubit transport mechanism in solid-state quantum computing architectures. Although the mechanism can be implemented in either a chain of quantum dots or donors, a 1D chain of donors in Si is of particular interest due to the natural confining potential of donors that can in principle help reduce the gate densities in solid-state quantum computing architectures. Using detailed atomistic modeling, we investigate CTAP in a more realistic triple donor system in the presence of inevitable fabrication imperfections. In particular, we investigate how an adiabatic pathway for CTAP is …

Uncertainty Quantification Study For A Comprehensive Electrostatic Mems Switch Model, Michael G. Snow, Anil K. Bajaj

PRISM: NNSA Center for Prediction of Reliability, Integrity and Survivability of Microsystems

This work presents an uncertainty analysis of a comprehensive model for an electrostatic MEMS switch. The goal is to elucidate the effects of parameter variations on certain performance characteristics. A sufficiently detailed model of an electrostatically actuated beam is developed. This model accounts for various physical effects, including the electrostatic fringing field, finite length of electrodes, squeeze film damping, and contact between the beam and the dielectric layer. The performance characteristics of immediate interest are the static and dynamic pull-in voltages for switch. Using Latin Hypercube and other sampling methods, the model is evaluated to find these performances characteristics when …

Providing A Theoretical Basis For Nanotoxicity Risk Analysis Departing From Traditional Physiologically-Based Pharmacokinetic (Pbpk) Modeling, Dirk P. Yamamoto

Theses and Dissertations

The same novel properties of engineered nanoparticles that make them attractive may also present unique exposure risks. But, the traditional physiologically-based pharmacokinetic (PBPK) modeling assumption of instantaneous equilibration likely does not apply to nanoparticles. This simulation-based research begins with development of a model that includes diffusion, active transport, and carrier mediated transport. An eigenvalue analysis methodology was developed to examine model behavior to focus future research. Simulations using the physicochemical properties of size, shape, surface coating, and surface charge were performed and an equation was determined which estimates area under the curve for arterial blood concentration, which is a surrogate …

Negative Dielectrophoretic Capture Of Bacterial Spores In Food Matrices, Mehti Koklu, Seungkyung Park, Suresh D. Pillai, Ali Beskok

Mechanical & Aerospace Engineering Faculty Publications

A microfluidic device with planar square electrodes is developed for capturing particles from high conductivity media using negative dielectrophoresis (n-DEP). Specifically, Bacillus subtilis and Clostridium sporogenes spores, and polystyrene particles are tested in NaCl solution (0.05 and 0.225 S/m), apple juice (0.225 S/m), and milk (0.525 S/m). Depending on the conductivity of the medium, the Joule heating produces electrothermal flow (ETF), which continuously circulates and transports the particles to the DEP capture sites. Combination of the ETF and n-DEP results in different particle capture efficiencies as a function of the conductivity. Utilizing 20 μm height DEP chambers, “almost complete” and …

Dynamic Solidification In Nanoconfined Water Films, Peter M. Hoffmann, Shah H. Khan, George Matei, Shivprasad Patil

Publications

Mechanical properties of nanoconfined water layers are still poorly understood and continue to create controversy, despite their importance for biology and nanotechnology. We report on dynamic nanomechanical measurements of water films compressed to a few single molecular layers. We show that the mechanical properties of nanoconfined water layers change significantly with their dynamic state. In particular, we observed a sharp transition from viscous to elastic response even at extremely slow compression rates, indicating that mechanical relaxation times increase dramatically once water is compressed to less than 3–4 molecular layers.

The Mechanism Of 13CoAd/12Co Isotope Exchange At Pt Electrode,A Combined Study By Electrochemical In-Situ Infrared Spectroscopy And Dipole-Dipole Coupling Analysis, Sang-Zi Liang, Shao-Xiong Liu, Ling-Wen Liao, Qian Tao, Jing Kang, Yan-Xia Chen

Journal of Electrochemistry

In this contribution,we have analyzed the IR spectra of saturated CO adlayer at rough Pt film electrode as a function of fractional surface coverage of ¹³CO_ad /¹²CO recorded during ¹³CO_ad /¹²CO isotope exchange process according to dipole-dipole coupling theory and coherent potential approximation. By properly choosing the parameters of adlayer structure and dipole-dipole coupling interaction under coherent potential approximation, we demonstrated that we can successfully simulate the IR spectra as a function of the surface coverage of CO adlayer at rough Pt film electrodes by assuming that CO_ad molecules with low …

An In Situ Fourier Transform Infrared Spectroelectrochemical Study On Alcohols Electrocatalytic Oxidation At Pd Electrode In Acidic Solution, Hai-Ping Huang, Lian-Qin Wang, Pei-Kang Shen

Journal of Electrochemistry

The methanol and ethylene glycol electrooxidation on palladium electrode in acidic solution has been investigated by cyclic voltammetry and in situ Fourier transform infrared spectroelectrochemistry. It shows that the oxidation of methanol and ethylene glycol at Pd electrode cannot proceed until over 1.5 V in acidic and neutral media. The overpotential decreases and the peak current density increases with the reduction in pH values. The formation of the oxygen-containing species significantly affects the alcohol oxidation on Pd electrode. The in situ FTIR spectroscopic measurements show that the oxidation products of ethylene glycol on Pd electrode are CO₂ and oxalic …

In-Situ Surface Enhanced Raman Scattering Electrochemical Investigation Of 4-Aminoantipyrine On Silver Electrode, Li-Jun Zhang, Wei Song, Ling Chen, Zong-Rang Zhang, Hai-Feng Yang

Journal of Electrochemistry

In this paper, 4-AAP was self-assembled on silver surface to form monolayers. Surface-enhanced Raman Spectroscopy (SERS) was used to in-situ investigate the adsorption mechanism of the 4-aminoantipyrine(4-AAP) on silver surface dependent on shifting potentials and the effect of solution pH. Based on density functional theory(DFT) calculation of vibration modes,approximate assignment of 4-AAP SERS spectrum was conducted. In situ SERS spectral electrochemical experiments indicated that the 4-AAP monolayers experience a dynamic adsorption process from a tilted fashion to a more vertical mode for benzene ring and more parallel for pyrine ring with the potential applied toward more negative voltages. The complete …

Phenomena Characterization Of Energy Materials By X-Ray Absorption Spectroscopy, Ming-Yao Cheng, Chun-Jen Pan, Ju-Hsiang Cheng, Bing-Joe Hwang

Journal of Electrochemistry

The aim of this review is to introduce the characterization of energy materials by X-ray absorption spectroscopy (XAS) . This technique allows us to probe changes in the valance state and the local environment of the targeted element in the active material; thereby,leading to a better understanding of its electrochemical behavior,and hopefully showing the way to improved performance. Here,electrocatalysts for fuel cells and active electrode materials for Li-ion batteries are taken as the examples that illustrate the capability of XAS and allow observation and theory to be correlated with electrochemical phenomena.