nanostructure computer design: Topics by Science.gov

Sample records for nanostructure computer design

Mechanical design of DNA nanostructures

NASA Astrophysics Data System (ADS)

Castro, Carlos E.; Su, Hai-Jun; Marras, Alexander E.; Zhou, Lifeng; Johnson, Joshua

2015-03-01

Structural DNA nanotechnology is a rapidly emerging field that has demonstrated great potential for applications such as single molecule sensing, drug delivery, and templating molecular components. As the applications of DNA nanotechnology expand, a consideration of their mechanical behavior is becoming essential to understand how these structures will respond to physical interactions. This review considers three major avenues of recent progress in this area: (1) measuring and designing mechanical properties of DNA nanostructures, (2) designing complex nanostructures based on imposed mechanical stresses, and (3) designing and controlling structurally dynamic nanostructures. This work has laid the foundation for mechanically active nanomachines that can generate, transmit, and respond to physical cues in molecular systems.Structural DNA nanotechnology is a rapidly emerging field that has demonstrated great potential for applications such as single molecule sensing, drug delivery, and templating molecular components. As the applications of DNA nanotechnology expand, a consideration of their mechanical behavior is becoming essential to understand how these structures will respond to physical interactions. This review considers three major avenues of recent progress in this area: (1) measuring and designing mechanical properties of DNA nanostructures, (2) designing complex nanostructures based on imposed mechanical stresses, and (3) designing and controlling structurally dynamic nanostructures. This work has laid the foundation for mechanically active nanomachines that can generate, transmit, and respond to physical cues in molecular systems. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr07153k
Nanostructure symmetry: Relevance for physics and computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dupertuis, Marc-André; Oberli, D. Y.; Karlsson, K. F.

2014-03-31

We review the research done in recent years in our group on the effects of nanostructure symmetry, and outline its relevance both for nanostructure physics and for computations of their electronic and optical properties. The exemples of C3v and C2v quantum dots are used. A number of surprises and non-trivial aspects are outlined, and a few symmetry-based tools for computing and analysis are shortly presented.
Mechanical design of DNA nanostructures.

PubMed

Castro, Carlos E; Su, Hai-Jun; Marras, Alexander E; Zhou, Lifeng; Johnson, Joshua

2015-04-14

Structural DNA nanotechnology is a rapidly emerging field that has demonstrated great potential for applications such as single molecule sensing, drug delivery, and templating molecular components. As the applications of DNA nanotechnology expand, a consideration of their mechanical behavior is becoming essential to understand how these structures will respond to physical interactions. This review considers three major avenues of recent progress in this area: (1) measuring and designing mechanical properties of DNA nanostructures, (2) designing complex nanostructures based on imposed mechanical stresses, and (3) designing and controlling structurally dynamic nanostructures. This work has laid the foundation for mechanically active nanomachines that can generate, transmit, and respond to physical cues in molecular systems.
Computational design of surfaces, nanostructures and optoelectronic materials

NASA Astrophysics Data System (ADS)

Choudhary, Kamal

Properties of engineering materials are generally influenced by defects such as point defects (vacancies, interstitials, substitutional defects), line defects (dislocations), planar defects (grain boundaries, free surfaces/nanostructures, interfaces, stacking faults) and volume defects (voids). Classical physics based molecular dynamics and quantum physics based density functional theory can be useful in designing materials with controlled defect properties. In this thesis, empirical potential based molecular dynamics was used to study the surface modification of polymers due to energetic polyatomic ion, thermodynamics and mechanics of metal-ceramic interfaces and nanostructures, while density functional theory was used to screen substituents in optoelectronic materials. Firstly, polyatomic ion-beams were deposited on polymer surfaces and the resulting chemical modifications of the surface were examined. In particular, S, SC and SH were deposited on amorphous polystyrene (PS), and C2H, CH3, and C3H5 were deposited on amorphous poly (methyl methacrylate) (PMMA) using molecular dynamics simulations with classical reactive empirical many-body (REBO) potentials. The objective of this work was to elucidate the mechanisms by which the polymer surface modification took place. The results of the work could be used in tailoring the incident energy and/or constituents of ion beam for obtaining a particular chemistry inside the polymer surface. Secondly, a new Al-O-N empirical potential was developed within the charge optimized many body (COMB) formalism. This potential was then used to examine the thermodynamic stability of interfaces and mechanical properties of nanostructures composed of aluminum, its oxide and its nitride. The potentials were tested for these materials based on surface energies, defect energies, bulk phase stability, the mechanical properties of the most stable bulk phase, its phonon properties as well as with a genetic algorithm based evolution theory of
Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Hinkley, Jeffrey A.

2003-01-01

The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives.
2-d and 1-d Nanomaterials Construction through Peptide Computational Design and Solution Assembly

NASA Astrophysics Data System (ADS)

Pochan, Darrin

Self-assembly of molecules is an attractive materials construction strategy due to its simplicity in application. By considering peptidic molecules in the bottom-up materials self-assembly design process, one can take advantage of inherently biomolecular attributes; intramolecular folding events, secondary structure, and electrostatic/H-bonding/hydrophobic interactions to define hierarchical material structure and consequent properties. Importantly, while biomimicry has been a successful strategy for the design of new peptide molecules for intermolecular assembly, computational tools have been developed to de novo design peptide molecules required for construction of pre-determined, desired nanostructures and materials. A new system comprised of coiled coil bundle motifs theoretically designed to assemble into designed, one and two-dimensional nanostructures will be introduced. The strategy provides the opportunity for arbitrary nanostructure formation, i.e. structures not observed in nature, with peptide molecules. Importantly, the desired nanostructure was chosen first while the peptides needed for coiled coil formation and subsequent nanomaterial formation were determined computationally. Different interbundle, two-dimensional nanostructures are stabilized by differences in amino acid composition exposed on the exterior of the coiled coil bundles. Computation was able to determine molecules required for different interbundle symmetries within two-dimensional sheets stabilized by subtle differences in amino acid composition of the inherent peptides. Finally, polymers were also created through covalent interactions between bundles that allowed formation of architectures spanning flexible network forming chains to ultra-stiff polymers, all with the same building block peptides. The success of the computational design strategy is manifested in the nanomaterial results as characterized by electron microscopy, scattering methods, and biophysical techniques. Support
Progress and Design Concerns of Nanostructured Solar Energy Harvesting Devices.

PubMed

Leung, Siu-Fung; Zhang, Qianpeng; Tavakoli, Mohammad Mahdi; He, Jin; Mo, Xiaoliang; Fan, Zhiyong

2016-05-01

Integrating devices with nanostructures is considered a promising strategy to improve the performance of solar energy harvesting devices such as photovoltaic (PV) devices and photo-electrochemical (PEC) solar water splitting devices. Extensive efforts have been exerted to improve the power conversion efficiencies (PCE) of such devices by utilizing novel nanostructures to revolutionize device structural designs. The thicknesses of light absorber and material consumption can be substantially reduced because of light trapping with nanostructures. Meanwhile, the utilization of nanostructures can also result in more effective carrier collection by shortening the photogenerated carrier collection path length. Nevertheless, performance optimization of nanostructured solar energy harvesting devices requires a rational design of various aspects of the nanostructures, such as their shape, aspect ratio, periodicity, etc. Without this, the utilization of nanostructures can lead to compromised device performance as the incorporation of these structures can result in defects and additional carrier recombination. The design guidelines of solar energy harvesting devices are summarized, including thin film non-uniformity on nanostructures, surface recombination, parasitic absorption, and the importance of uniform distribution of photo-generated carriers. A systematic view of the design concerns will assist better understanding of device physics and benefit the fabrication of high performance devices in the future. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Concurrent design of quasi-random photonic nanostructures

PubMed Central

Lee, Won-Kyu; Yu, Shuangcheng; Engel, Clifford J.; Reese, Thaddeus; Rhee, Dongjoon; Chen, Wei

2017-01-01

Nanostructured surfaces with quasi-random geometries can manipulate light over broadband wavelengths and wide ranges of angles. Optimization and realization of stochastic patterns have typically relied on serial, direct-write fabrication methods combined with real-space design. However, this approach is not suitable for customizable features or scalable nanomanufacturing. Moreover, trial-and-error processing cannot guarantee fabrication feasibility because processing–structure relations are not included in conventional designs. Here, we report wrinkle lithography integrated with concurrent design to produce quasi-random nanostructures in amorphous silicon at wafer scales that achieved over 160% light absorption enhancement from 800 to 1,200 nm. The quasi-periodicity of patterns, materials filling ratio, and feature depths could be independently controlled. We statistically represented the quasi-random patterns by Fourier spectral density functions (SDFs) that could bridge the processing–structure and structure–performance relations. Iterative search of the optimal structure via the SDF representation enabled concurrent design of nanostructures and processing. PMID:28760975
The Structure and Properties of Silica Glass Nanostructures using Novel Computational Systems

NASA Astrophysics Data System (ADS)

Doblack, Benjamin N.

The structure and properties of silica glass nanostructures are examined using computational methods in this work. Standard synthesis methods of silica and its associated material properties are first discussed in brief. A review of prior experiments on this amorphous material is also presented. Background and methodology for the simulation of mechanical tests on amorphous bulk silica and nanostructures are later presented. A new computational system for the accurate and fast simulation of silica glass is also presented, using an appropriate interatomic potential for this material within the open-source molecular dynamics computer program LAMMPS. This alternative computational method uses modern graphics processors, Nvidia CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model select materials, this enhancement allows the addition of accelerated molecular dynamics simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal of this project is to investigate the structure and size dependent mechanical properties of silica glass nanohelical structures under tensile MD conditions using the innovative computational system. Specifically, silica nanoribbons and nanosprings are evaluated which revealed unique size dependent elastic moduli when compared to the bulk material. For the nanoribbons, the tensile behavior differed widely between the models simulated, with distinct characteristic extended elastic regions. In the case of the nanosprings simulated, more clear trends are observed. In particular, larger nanospring wire cross-sectional radii (r) lead to larger Young's moduli, while larger helical diameters (2R) resulted in smaller Young's moduli. Structural transformations and theoretical models are also analyzed to identify
Computer-Aided Design of RNA Origami Structures.

PubMed

Sparvath, Steffen L; Geary, Cody W; Andersen, Ebbe S

2017-01-01

RNA nanostructures can be used as scaffolds to organize, combine, and control molecular functionalities, with great potential for applications in nanomedicine and synthetic biology. The single-stranded RNA origami method allows RNA nanostructures to be folded as they are transcribed by the RNA polymerase. RNA origami structures provide a stable framework that can be decorated with functional RNA elements such as riboswitches, ribozymes, interaction sites, and aptamers for binding small molecules or protein targets. The rich library of RNA structural and functional elements combined with the possibility to attach proteins through aptamer-based binding creates virtually limitless possibilities for constructing advanced RNA-based nanodevices.In this chapter we provide a detailed protocol for the single-stranded RNA origami design method using a simple 2-helix tall structure as an example. The first step involves 3D modeling of a double-crossover between two RNA double helices, followed by decoration with tertiary motifs. The second step deals with the construction of a 2D blueprint describing the secondary structure and sequence constraints that serves as the input for computer programs. In the third step, computer programs are used to design RNA sequences that are compatible with the structure, and the resulting outputs are evaluated and converted into DNA sequences to order.
On the design and fabrication of nanostructures and devices

NASA Astrophysics Data System (ADS)

Wei, Wei

Nanotechnology is emerging into a new frontier in science and technology with potential impact on every aspect of human life. One of the major breakthroughs in today's nanotechnology is the discovery and preparation of new classes of nanomaterials and nanostructures. A large number of nanomaterials and nanostructures are synthesized and characterized with either new or profoundly enhanced properties or phenomena. However, there are several major challenges ahead need to be overcome before any substantial benefits can be brought to the market. One of the challenges that we need to address today is how to effectively integrate useful nanomaterials and nanostrucrures into functional devices and systems. Our mother nature gives us a classic example of how living organisms are built. Starting from a single cell, through its division and growth, it can self-assemble and become functional tissues and organs. Similar self-assemble approach has been adopted as a nano-fabrication technique to assemble nanomaterials and nanostructures into functional nanodevices. This technique has advantages of high precision and nanometer scale resolution. However, it requires a lot of effort to construct a single device and since the properties of individual nanostructures can be different, the fabricated devices may have different properties. In this dissertation, we design and fabricate nanostructures and devices using novel microfabrication techniques. In the first part of the dissertation, the design and fabrication of a variety of nanostructures, such as metal nanowires array, polymer nanowells, and nanostructured surfaces are discussed. In the second part, carbon nanotubes as a novel material has been explored as an example to demonstrate the integration of nanomaterials with novel microfabrication techniques to form a functional device. First, a resistive heating technique is developed to grow carbon nanotubes in localized regions, such as a nichrome heating coil. Then, MEMS micro
Robust parameter design for automatically controlled systems and nanostructure synthesis

NASA Astrophysics Data System (ADS)

Dasgupta, Tirthankar

2007-12-01

This research focuses on developing comprehensive frameworks for developing robust parameter design methodology for dynamic systems with automatic control and for synthesis of nanostructures. In many automatically controlled dynamic processes, the optimal feedback control law depends on the parameter design solution and vice versa and therefore an integrated approach is necessary. A parameter design methodology in the presence of feedback control is developed for processes of long duration under the assumption that experimental noise factors are uncorrelated over time. Systems that follow a pure-gain dynamic model are considered and the best proportional-integral and minimum mean squared error control strategies are developed by using robust parameter design. The proposed method is illustrated using a simulated example and a case study in a urea packing plant. This idea is also extended to cases with on-line noise factors. The possibility of integrating feedforward control with a minimum mean squared error feedback control scheme is explored. To meet the needs of large scale synthesis of nanostructures, it is critical to systematically find experimental conditions under which the desired nanostructures are synthesized reproducibly, at large quantity and with controlled morphology. The first part of the research in this area focuses on modeling and optimization of existing experimental data. Through a rigorous statistical analysis of experimental data, models linking the probabilities of obtaining specific morphologies to the process variables are developed. A new iterative algorithm for fitting a Multinomial GLM is proposed and used. The optimum process conditions, which maximize the above probabilities and make the synthesis process less sensitive to variations of process variables around set values, are derived from the fitted models using Monte-Carlo simulations. The second part of the research deals with development of an experimental design methodology, tailor
RNA nanotechnology for computer design and in vivo computation

PubMed Central

Qiu, Meikang; Khisamutdinov, Emil; Zhao, Zhengyi; Pan, Cheryl; Choi, Jeong-Woo; Leontis, Neocles B.; Guo, Peixuan

2013-01-01

Molecular-scale computing has been explored since 1989 owing to the foreseeable limitation of Moore's law for silicon-based computation devices. With the potential of massive parallelism, low energy consumption and capability of working in vivo, molecular-scale computing promises a new computational paradigm. Inspired by the concepts from the electronic computer, DNA computing has realized basic Boolean functions and has progressed into multi-layered circuits. Recently, RNA nanotechnology has emerged as an alternative approach. Owing to the newly discovered thermodynamic stability of a special RNA motif (Shu et al. 2011 Nat. Nanotechnol. 6, 658–667 (doi:10.1038/nnano.2011.105)), RNA nanoparticles are emerging as another promising medium for nanodevice and nanomedicine as well as molecular-scale computing. Like DNA, RNA sequences can be designed to form desired secondary structures in a straightforward manner, but RNA is structurally more versatile and more thermodynamically stable owing to its non-canonical base-pairing, tertiary interactions and base-stacking property. A 90-nucleotide RNA can exhibit 490 nanostructures, and its loops and tertiary architecture can serve as a mounting dovetail that eliminates the need for external linking dowels. Its enzymatic and fluorogenic activity creates diversity in computational design. Varieties of small RNA can work cooperatively, synergistically or antagonistically to carry out computational logic circuits. The riboswitch and enzymatic ribozyme activities and its special in vivo attributes offer a great potential for in vivo computation. Unique features in transcription, termination, self-assembly, self-processing and acid resistance enable in vivo production of RNA nanoparticles that harbour various regulators for intracellular manipulation. With all these advantages, RNA computation is promising, but it is still in its infancy. Many challenges still exist. Collaborations between RNA nanotechnologists and computer
RNA nanotechnology for computer design and in vivo computation.

PubMed

Qiu, Meikang; Khisamutdinov, Emil; Zhao, Zhengyi; Pan, Cheryl; Choi, Jeong-Woo; Leontis, Neocles B; Guo, Peixuan

2013-10-13

Molecular-scale computing has been explored since 1989 owing to the foreseeable limitation of Moore's law for silicon-based computation devices. With the potential of massive parallelism, low energy consumption and capability of working in vivo, molecular-scale computing promises a new computational paradigm. Inspired by the concepts from the electronic computer, DNA computing has realized basic Boolean functions and has progressed into multi-layered circuits. Recently, RNA nanotechnology has emerged as an alternative approach. Owing to the newly discovered thermodynamic stability of a special RNA motif (Shu et al. 2011 Nat. Nanotechnol. 6, 658-667 (doi:10.1038/nnano.2011.105)), RNA nanoparticles are emerging as another promising medium for nanodevice and nanomedicine as well as molecular-scale computing. Like DNA, RNA sequences can be designed to form desired secondary structures in a straightforward manner, but RNA is structurally more versatile and more thermodynamically stable owing to its non-canonical base-pairing, tertiary interactions and base-stacking property. A 90-nucleotide RNA can exhibit 4⁹⁰ nanostructures, and its loops and tertiary architecture can serve as a mounting dovetail that eliminates the need for external linking dowels. Its enzymatic and fluorogenic activity creates diversity in computational design. Varieties of small RNA can work cooperatively, synergistically or antagonistically to carry out computational logic circuits. The riboswitch and enzymatic ribozyme activities and its special in vivo attributes offer a great potential for in vivo computation. Unique features in transcription, termination, self-assembly, self-processing and acid resistance enable in vivo production of RNA nanoparticles that harbour various regulators for intracellular manipulation. With all these advantages, RNA computation is promising, but it is still in its infancy. Many challenges still exist. Collaborations between RNA nanotechnologists and computer
Computer Code for Nanostructure Simulation

NASA Technical Reports Server (NTRS)

Filikhin, Igor; Vlahovic, Branislav

2009-01-01

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.
Whole Wafer Design and Fabrication for the Alignment of Nanostructures for Chemical Sensor Applications

NASA Technical Reports Server (NTRS)

Biaggi-Labiosa, Azlin M.; Hunter, Gary W.

2013-01-01

A major objective in aerospace sensor development is to produce sensors that are small in size, easy to batch fabricate and low in cost, and have low power consumption The fabrication of chemical sensors involving nanostructured materials can provide these properties as well as the potential for the development of sensor systems with unique properties and improved performance. However, the fabrication and processing of nanostructures for sensor applications currently is limited in the ability to control their location on the sensor. Currently, our group at NASA Glenn Research Center has demonstrated the controlled placement of nanostructures in sensors using a sawtooth patterned electrode design. With this design the nanostructures are aligned between opposing sawtooth electrodes by applying an alternating current.
Shape-specific nanostructured protein mimics from de novo designed chimeric peptides.

PubMed

Jiang, Linhai; Yang, Su; Lund, Reidar; Dong, He

2018-01-30

Natural proteins self-assemble into highly-ordered nanoscaled architectures to perform specific functions. The intricate functions of proteins have provided great impetus for researchers to develop strategies for designing and engineering synthetic nanostructures as protein mimics. Compared to the success in engineering fibrous protein mimetics, the design of discrete globular protein-like nanostructures has been challenging mainly due to the lack of precise control over geometric packing and intermolecular interactions among synthetic building blocks. In this contribution, we report an effective strategy to construct shape-specific nanostructures based on the self-assembly of chimeric peptides consisting of a coiled coil dimer and a collagen triple helix folding motif. Under salt-free conditions, we showed spontaneous self-assembly of the chimeric peptides into monodisperse, trigonal bipyramidal-like nanoparticles with precise control over the stoichiometry of two folding motifs and the geometrical arrangements relative to one another. Three coiled coil dimers are interdigitated on the equatorial plane while the two collagen triple helices are located in the axial position, perpendicular to the coiled coil plane. A detailed molecular model was proposed and further validated by small angle X-ray scattering experiments and molecular dynamics (MD) simulation. The results from this study indicated that the molecular folding of each motif within the chimeric peptides and their geometric packing played important roles in the formation of discrete protein-like nanoparticles. The peptide design and self-assembly mechanism may open up new routes for the construction of highly organized, discrete self-assembling protein-like nanostructures with greater levels of control over assembly accuracy.
Deliberate Design of TiO2 Nanostructures towards Superior Photovoltaic Cells.

PubMed

Sun, Ziqi; Liao, Ting; Sheng, Liyuan; Kou, Liangzhi; Kim, Jung Ho; Dou, Shi Xue

2016-08-01

TiO2 nanostructures are being sought after as flexibly utilizable building blocks for the fabrication of the mesoporous thin-film photoelectrodes that are the heart of the third-generation photovoltaic devices, such as dye-sensitized solar cells (DSSCs), quantum-dot-sensitized solar cells (QDSSCs), and the recently promoted perovskite-type solar cells. Here, we report deliberate tailoring of TiO2 nanostructures for superior photovoltaic cells. Morphology engineering of TiO2 nanostructures is realized by designing synthetic protocols in which the precursor hydrolysis, crystal growth, and oligomer self-organization are precisely controlled. TiO2 nanostructures in forms varying from isolated nanocubes, nanorods, and cross-linked nanorods to complex hierarchical structures and shape-defined mesoporous micro-/nanostructures were successfully synthesized. The photoanodes made from the shape-defined mesoporous TiO2 microspheres and nanospindles presented superior performances, owing to the well-defined overall shapes and the inner ordered nanochannels, which allow not only a high amount of dye uptake, but also improved visible-light absorption. This study provides a new way to seek an optimal synthetic protocol to meet the required functionality of the nanomaterials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Computational design of co-assembling protein-DNA nanowires

NASA Astrophysics Data System (ADS)

Mou, Yun; Yu, Jiun-Yann; Wannier, Timothy M.; Guo, Chin-Lin; Mayo, Stephen L.

2015-09-01

Biomolecular self-assemblies are of great interest to nanotechnologists because of their functional versatility and their biocompatibility. Over the past decade, sophisticated single-component nanostructures composed exclusively of nucleic acids, peptides and proteins have been reported, and these nanostructures have been used in a wide range of applications, from drug delivery to molecular computing. Despite these successes, the development of hybrid co-assemblies of nucleic acids and proteins has remained elusive. Here we use computational protein design to create a protein-DNA co-assembling nanomaterial whose assembly is driven via non-covalent interactions. To achieve this, a homodimerization interface is engineered onto the Drosophila Engrailed homeodomain (ENH), allowing the dimerized protein complex to bind to two double-stranded DNA (dsDNA) molecules. By varying the arrangement of protein-binding sites on the dsDNA, an irregular bulk nanoparticle or a nanowire with single-molecule width can be spontaneously formed by mixing the protein and dsDNA building blocks. We characterize the protein-DNA nanowire using fluorescence microscopy, atomic force microscopy and X-ray crystallography, confirming that the nanowire is formed via the proposed mechanism. This work lays the foundation for the development of new classes of protein-DNA hybrid materials. Further applications can be explored by incorporating DNA origami, DNA aptamers and/or peptide epitopes into the protein-DNA framework presented here.
Computational design of a homotrimeric metalloprotein with a trisbipyridyl core

DOE PAGES

Mills, Jeremy H.; Sheffler, William; Ener, Maraia E.; ...

2016-12-08

Metal-chelating heteroaryl small molecules have found widespread use as building blocks for coordination-driven, self-assembling nanostructures. The metal-chelating noncanonical amino acid (2,2'-bipyridin-5yl)alanine (Bpy-ala) could, in principle, be used to nucleate specific metalloprotein assemblies if introduced into proteins such that one assembly had much lower free energy than all alternatives. Here in this paper, we describe the use of the Rosetta computational methodology to design a self-assembling homotrimeric protein with [Fe(Bpy-ala) 3] 2+ complexes at the interface between monomers. X-ray crystallographic analysis of the homotrimer showed that the design process had near-atomic-level accuracy: The all-atom rmsd between the design model and crystalmore » structure for the residues at the protein interface is ~1.4 Å. These results demonstrate that computational protein design together with genetically encoded noncanonical amino acids can be used to drive formation of precisely specified metal-mediated protein assemblies that could find use in a wide range of photophysical applications.« less

Computational design of a homotrimeric metalloprotein with a trisbipyridyl core

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mills, Jeremy H.; Sheffler, William; Ener, Maraia E.

Metal-chelating heteroaryl small molecules have found widespread use as building blocks for coordination-driven, self-assembling nanostructures. The metal-chelating noncanonical amino acid (2,2'-bipyridin-5yl)alanine (Bpy-ala) could, in principle, be used to nucleate specific metalloprotein assemblies if introduced into proteins such that one assembly had much lower free energy than all alternatives. Here in this paper, we describe the use of the Rosetta computational methodology to design a self-assembling homotrimeric protein with [Fe(Bpy-ala) 3] 2+ complexes at the interface between monomers. X-ray crystallographic analysis of the homotrimer showed that the design process had near-atomic-level accuracy: The all-atom rmsd between the design model and crystalmore » structure for the residues at the protein interface is ~1.4 Å. These results demonstrate that computational protein design together with genetically encoded noncanonical amino acids can be used to drive formation of precisely specified metal-mediated protein assemblies that could find use in a wide range of photophysical applications.« less
Protein Design for Nanostructural Engineering: General Aspects.

PubMed

Grove, Tijana Z; Cortajarena, Aitziber L

2016-01-01

This chapter aims to introduce the main challenges in the field of protein design for engineering of nanostructures and functional materials. First, we introduce proteins and illustrate the key characteristics that open many possibilities for the use of proteins in nanotechnology. Then, we describe the current state of the art of nanopatterning techniques and the actual needs of the emerging field of nanotechnology to develop new tools in order to achieve precise control and manipulation of elements at the nanoscale. In this sense, the increasing knowledge of protein science and advances in protein design allow to tackle current challenges such as the design of nanodevices, nanopatterned surfaces, and nanomachines. This book highlights the recent progresses of protein nanotechnology over the last decade and emphasizes the power of protein engineering through illustrative examples of protein based-assemblies and their potential applications.
Nanostructure design for drastic reduction of thermal conductivity while preserving high electrical conductivity

PubMed Central

Nakamura, Yoshiaki

2018-01-01

Abstract The design and fabrication of nanostructured materials to control both thermal and electrical properties are demonstrated for high-performance thermoelectric conversion. We have focused on silicon (Si) because it is an environmentally friendly and ubiquitous element. High bulk thermal conductivity of Si limits its potential as a thermoelectric material. The thermal conductivity of Si has been reduced by introducing grains, or wires, yet a further reduction is required while retaining a high electrical conductivity. We have designed two different nanostructures for this purpose. One structure is connected Si nanodots (NDs) with the same crystal orientation. The phonons scattering at the interfaces of these NDs occurred and it depended on the ND size. As a result of phonon scattering, the thermal conductivity of this nanostructured material was below/close to the amorphous limit. The other structure is Si films containing epitaxially grown Ge NDs. The Si layer imparted high electrical conductivity, while the Ge NDs served as phonon scattering bodies reducing thermal conductivity drastically. This work gives a methodology for the independent control of electron and phonon transport using nanostructured materials. This can bring the realization of thermoelectric Si-based materials that are compatible with large scale integrated circuit processing technologies. PMID:29371907
Nanostructure design for drastic reduction of thermal conductivity while preserving high electrical conductivity.

PubMed

Nakamura, Yoshiaki

2018-01-01

The design and fabrication of nanostructured materials to control both thermal and electrical properties are demonstrated for high-performance thermoelectric conversion. We have focused on silicon (Si) because it is an environmentally friendly and ubiquitous element. High bulk thermal conductivity of Si limits its potential as a thermoelectric material. The thermal conductivity of Si has been reduced by introducing grains, or wires, yet a further reduction is required while retaining a high electrical conductivity. We have designed two different nanostructures for this purpose. One structure is connected Si nanodots (NDs) with the same crystal orientation. The phonons scattering at the interfaces of these NDs occurred and it depended on the ND size. As a result of phonon scattering, the thermal conductivity of this nanostructured material was below/close to the amorphous limit. The other structure is Si films containing epitaxially grown Ge NDs. The Si layer imparted high electrical conductivity, while the Ge NDs served as phonon scattering bodies reducing thermal conductivity drastically. This work gives a methodology for the independent control of electron and phonon transport using nanostructured materials. This can bring the realization of thermoelectric Si-based materials that are compatible with large scale integrated circuit processing technologies.
Protocols for Molecular Dynamics Simulations of RNA Nanostructures.

PubMed

Kim, Taejin; Kasprzak, Wojciech K; Shapiro, Bruce A

2017-01-01

Molecular dynamics (MD) simulations have been used as one of the main research tools to study a wide range of biological systems and bridge the gap between X-ray crystallography or NMR structures and biological mechanism. In the field of RNA nanostructures, MD simulations have been used to fix steric clashes in computationally designed RNA nanostructures, characterize the dynamics, and investigate the interaction between RNA and other biomolecules such as delivery agents and membranes.In this chapter we present examples of computational protocols for molecular dynamics simulations in explicit and implicit solvent using the Amber Molecular Dynamics Package. We also show examples of post-simulation analysis steps and briefly mention selected tools beyond the Amber package. Limitations of the methods, tools, and protocols are also discussed. Most of the examples are illustrated for a small RNA duplex (helix), but the protocols are applicable to any nucleic acid structure, subject only to the computational speed and memory limitations of the hardware available to the user.
New Computational Approach to Electron Transport in Irregular Graphene Nanostructures

NASA Astrophysics Data System (ADS)

Mason, Douglas; Heller, Eric; Prendergast, David; Neaton, Jeffrey

2009-03-01

For novel graphene devices of nanoscale-to-macroscopic scale, many aspects of their transport properties are not easily understood due to difficulties in fabricating devices with regular edges. Here we develop a framework to efficiently calculate and potentially screen electronic transport properties of arbitrary nanoscale graphene device structures. A generalization of the established recursive Green's function method is presented, providing access to arbitrary device and lead geometries with substantial computer-time savings. Using single-orbital nearest-neighbor tight-binding models and the Green's function-Landauer scattering formalism, we will explore the transmission function of irregular two-dimensional graphene-based nanostructures with arbitrary lead orientation. Prepared by LBNL under contract DE-AC02-05CH11231 and supported by the U.S. Dept. of Energy Computer Science Graduate Fellowship under grant DE-FG02-97ER25308.
Computer-aided design and computer science technology

NASA Technical Reports Server (NTRS)

Fulton, R. E.; Voigt, S. J.

1976-01-01

A description is presented of computer-aided design requirements and the resulting computer science advances needed to support aerospace design. The aerospace design environment is examined, taking into account problems of data handling and aspects of computer hardware and software. The interactive terminal is normally the primary interface between the computer system and the engineering designer. Attention is given to user aids, interactive design, interactive computations, the characteristics of design information, data management requirements, hardware advancements, and computer science developments.
Photon-trapping micro/nanostructures for high linearity in ultra-fast photodiodes

NASA Astrophysics Data System (ADS)

Cansizoglu, Hilal; Gao, Yang; Perez, Cesar Bartolo; Ghandiparsi, Soroush; Ponizovskaya Devine, Ekaterina; Cansizoglu, Mehmet F.; Yamada, Toshishige; Elrefaie, Aly F.; Wang, Shih-Yuan; Islam, M. Saif

2017-08-01

Photodetectors (PDs) in datacom and computer networks where the link length is up to 300 m, need to handle higher than typical input power used in other communication links. Also, to reduce power consumption due to equalization at high speed (>25Gb/s), the datacom links will use PAM-4 signaling instead of NRZ with stringent receiver linearity requirements. Si PDs with photon-trapping micro/nanostructures are shown to have high linearity in output current verses input optical power. Though there is less silicon material due to the holes, the micro-/nanostructured holes collectively reradiate the light to an in-plane direction of the PD surface and can avoid current crowding in the PD. Consequently, the photocurrent per unit volume remains at a low level contributing to high linearity in the photocurrent. We present the effect of design and lattice patterns of micro/nanostructures on the linearity of ultra-fast silicon PDs designed for high speed multi gigabit data networks.
Near zero reflection by nanostructured anti-reflection coating design for Si substrates

NASA Astrophysics Data System (ADS)

Al-Fandi, Mohamed; Makableh, Yahia F.; Khasawneh, Mohammad; Rabady, Rabi

2018-05-01

The nanostructure design of near zero reflection coating for Si substrates by using ZnO Nanoneedles (ZnONN) is performed and optimized for the visible spectral range. The design investigates the ZnONN tip to body ratio effect on the anti-reflection coating properties. Different tip to body ratios are used on Si substrates. Around zero reflection is achieved by the Nanoneedles structure design presented in this work, leading to minimal reflection losses from the Si surface. The current design evolves a solution to optical losses and surface contamination effects associated with Si solar cells.
Analysis of periodically patterned metallic nanostructures for infrared absorber

NASA Astrophysics Data System (ADS)

Peng, Sha; Yuan, Ying; Long, Huabao; Liu, Runhan; Wei, Dong; Zhang, Xinyu; Wang, Haiwei; Xie, Changsheng

2018-02-01

With rapid advancement of infrared detecting technology in both military and civil domains, the photo-electronic performances of near-infrared detectors have been widely concerned. Currently, near-infrared detectors demonstrate some problems such as low sensitivity, low detectivity, and relatively small array scale. The current studies show that surface plasmons (SPs) stimulated over the surface of metallic nanostructures by incident light can be used to break the diffraction limit and thus concentrate light into sub-wavelength scale, so as to indicate a method to develop a new type of infrared absorber or detector with very large array. In this paper, we present the design and characterization of periodically patterned metallic nanostructures that combine nanometer thickness aluminum film with silicon wafer. Numerical computations show that there are some valleys caused by surface plasmons in the reflection spectrum in the infrared region, and both red shift and blue shift of the reflection spectrum were observed through changing the nanostructural parameters such as angle α and diameters D. Moreover, the strong E-field intensity is located at the sharp corner of the nano-structures.
Design of nanostructured-based glucose biosensors

NASA Astrophysics Data System (ADS)

Komirisetty, Archana; Williams, Frances; Pradhan, Aswini; Konda, Rajini B.; Dondapati, Hareesh; Samantaray, Diptirani

2012-04-01

This paper presents the design of glucose sensors that will be integrated with advanced nano-materials, bio-coatings and electronics to create novel devices that are highly sensitive, inexpensive, accurate, and reliable. In the work presented, a glucose biosensor and its fabrication process flow have been designed. The device is based on electrochemical sensing using a working electrode with bio-functionalized zinc oxide (ZnO) nano-rods. Among all metal oxide nanostructures, ZnO nano-materials play a significant role as a sensing element in biosensors due to their properties such as high isoelectric point (IEP), fast electron transfer, non-toxicity, biocompatibility, and chemical stability which are very crucial parameters to achieve high sensitivity. Amperometric enzyme electrodes based on glucose oxidase (GOx) are used due to their stability and high selectivity to glucose. The device also consists of silicon dioxide and titanium layers as well as platinum working and counter electrodes and a silver/silver chloride reference electrode. Currently, the biosensors are being fabricated using the process flow developed. Once completed, the sensors will be bio-functionalized and tested to characterize their performance, including their sensitivity and stability.
Basic principles for rational design of high-performance nanostructured silicon-based thermoelectric materials.

PubMed

Yang, Chun Cheng; Li, Sean

2011-12-23

Recently, nanostructured silicon-based thermoelectric materials have drawn great attention owing to their excellent thermoelectric performance in the temperature range around 450 °C, which is eminently applicable for concentrated solar thermal technology. In this work, a unified nanothermodynamic model is developed to investigate the predominant factors that determine the lattice thermal conductivity of nanocrystalline, nanoporous, and nanostructured bulk Si. A systematic study shows that the thermoelectric performance of these materials can be substantially enhanced by the following three basic principles: 1) artificial manipulation and optimization of roughness with surface/interface patterning/engineering; 2) grain-size reduction with innovative fabrication techniques in a controllable fashion; and 3) optimization of material parameters, such as bulk solid-vapor transition entropy, bulk vibrational entropy, dimensionality, and porosity, to decrease the lattice thermal conductivity. These principles may be used to rationally design novel nanostructured Si-based thermoelectric materials for renewable energy applications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates

DOE PAGES

Lentz, Levi C.; Kolpak, Alexie M.

2017-04-28

The performance of bulk organic and hybrid organic-inorganic heterojunction photovoltaics is often limited by high carrier recombination arising from strongly bound excitons and low carrier mobility. Structuring materials to minimize the length scales required for exciton separation and carrier collection is therefore a promising approach for improving efficiency. In this work, first-principles computations are employed to design and characterize a new class of photovoltaic materials composed of layered transition metal phosphates (TMPs) covalently bound to organic absorber molecules to form nanostructured superlattices. Using a combination of transition metal substitution and organic functionalization, the electronic structure of these materials is systematicallymore » tuned to design a new hybrid photovoltaic material predicted to exhibit very low recombination due to the presence of a local electric field and spatially isolated, high mobility, two-dimensional electron and hole conducting channels. Furthermore, this material is predicted to have a large open-circuit voltage of 1.7 V. Here, this work suggests that hybrid TMPs constitute an interesting class of materials for further investigation in the search for achieving high efficiency, high power, and low cost photo Zirconium phosphate was chosen, in part, due to previous experiment voltaics.« less
First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lentz, Levi C.; Kolpak, Alexie M.

The performance of bulk organic and hybrid organic-inorganic heterojunction photovoltaics is often limited by high carrier recombination arising from strongly bound excitons and low carrier mobility. Structuring materials to minimize the length scales required for exciton separation and carrier collection is therefore a promising approach for improving efficiency. In this work, first-principles computations are employed to design and characterize a new class of photovoltaic materials composed of layered transition metal phosphates (TMPs) covalently bound to organic absorber molecules to form nanostructured superlattices. Using a combination of transition metal substitution and organic functionalization, the electronic structure of these materials is systematicallymore » tuned to design a new hybrid photovoltaic material predicted to exhibit very low recombination due to the presence of a local electric field and spatially isolated, high mobility, two-dimensional electron and hole conducting channels. Furthermore, this material is predicted to have a large open-circuit voltage of 1.7 V. Here, this work suggests that hybrid TMPs constitute an interesting class of materials for further investigation in the search for achieving high efficiency, high power, and low cost photo Zirconium phosphate was chosen, in part, due to previous experiment voltaics.« less
Synthesis of nanostructured barium phosphate and its application in micro-computed tomography of mouse brain vessels in ex vivo

NASA Astrophysics Data System (ADS)

Zhu, Bangshang; Yuan, Falei; Yuan, Xiaoya; Bo, Yang; Wang, Yongting; Yang, Guo-Yuan; Drummen, Gregor P. C.; Zhu, Xinyuan

2014-02-01

Micro-computed tomography (micro-CT) is a powerful tool for visualizing the vascular systems of tissues, organs, or entire small animals. Vascular contrast agents play a vital role in micro-CT imaging in order to obtain clear and high-quality images. In this study, a new kind of nanostructured barium phosphate was fabricated and used as a contrast agent for ex vivo micro-CT imaging of blood vessels in the mouse brain. Nanostructured barium phosphate was synthesized through a simple wet precipitation method using Ba(NO3)2, and (NH4)2HPO4 as starting materials. The physiochemical properties of barium phosphate were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, and thermal analysis. Furthermore, the impact of the produced nanostructures on cell viability was evaluated via the MTT assay, which generally showed low to moderate cytotoxicity. Finally, the animal test images demonstrated that the use of nanostructured barium phosphate as a contrast agent in Micro-CT imaging produced sharp images with excellent contrast. Both major vessels and the microvasculature were clearly observable in the imaged mouse brain. Overall, the results indicate that nanostructured barium phosphate is a potential and useful vascular contrast agent for micro-CT imaging.
Optimization of nanostructured lipid carriers for topical delivery of nimesulide using Box-Behnken design approach.

PubMed

Moghddam, Seyedeh Marziyeh Mahdavi; Ahad, Abdul; Aqil, Mohd; Imam, Syed Sarim; Sultana, Yasmin

2017-05-01

The aim of the present study was to develop and optimize topically applied nimesulide-loaded nanostructured lipid carriers. Box-Behnken experimental design was applied for optimization of nanostructured lipid carriers. The independent variables were ratio of stearic acid: oleic acid (X 1 ), poloxamer 188 concentration (X 2 ) and lecithin concentration (X 3 ) while particle size (Y 1 ) and entrapment efficiency (Y 2 ) were the chosen responses. Further, skin penetration study, in vitro release, confocal laser scanning microscopy and stability study were also performed. The optimized nanostructured lipid carriers of nimesulide provide reasonable particle size, flux, and entrapment efficiency. Optimized formulation (F9) with mean particle size of 214.4 ± 11 nm showed 89.4 ± 3.40% entrapment efficiency and achieved mean flux 2.66 ± 0.09 μg/cm 2 /h. In vitro release study showed prolonged drug release from the optimized formulation following Higuchi release kinetics with R 2 value of 0.984. Confocal laser scanning microscopy revealed an enhanced penetration of Rhodamine B-loaded nanostructured lipid carriers to the deeper layers of the skin. The stability study confirmed that the optimized formulation was considerably stable at refrigerator temperature as compared to room temperature. Our results concluded that nanostructured lipid carriers are an efficient carrier for topical delivery of nimesulide.
Self-assembled bionanostructures: proteins following the lead of DNA nanostructures

PubMed Central

2014-01-01

Natural polymers are able to self-assemble into versatile nanostructures based on the information encoded into their primary structure. The structural richness of biopolymer-based nanostructures depends on the information content of building blocks and the available biological machinery to assemble and decode polymers with a defined sequence. Natural polypeptides comprise 20 amino acids with very different properties in comparison to only 4 structurally similar nucleotides, building elements of nucleic acids. Nevertheless the ease of synthesizing polynucleotides with selected sequence and the ability to encode the nanostructural assembly based on the two specific nucleotide pairs underlay the development of techniques to self-assemble almost any selected three-dimensional nanostructure from polynucleotides. Despite more complex design rules, peptides were successfully used to assemble symmetric nanostructures, such as fibrils and spheres. While earlier designed protein-based nanostructures used linked natural oligomerizing domains, recent design of new oligomerizing interaction surfaces and introduction of the platform for topologically designed protein fold may enable polypeptide-based design to follow the track of DNA nanostructures. The advantages of protein-based nanostructures, such as the functional versatility and cost effective and sustainable production methods provide strong incentive for further development in this direction. PMID:24491139
Engineering optical properties using plasmonic nanostructures

NASA Astrophysics Data System (ADS)

Tamma, Venkata Ananth

Plasmonic nanostructures can be engineered to take on unusual optical properties not found in natural materials. The optical responses of plasmonic materials are functions of the structural parameters and symmetry of the nanostructures, material parameters of the nanostructure and its surroundings and the incidence angle, frequency and polarization state of light. The scattering and hence the visibility of an object could be reduced by coating it with a plasmonic material. In this thesis, presented is an optical frequency scattering cancelation device composed of a silicon nanorod coated by a plasmonic gold nanostructure. The principle of operation was theoretically analyzed using Mie theory and the device design was verified by extensive numerical simulations. The device was fabricated using a combination of nanofabrication techniques such as electron beam lithography and focused ion beam milling. The optical responses of the scattering cancelation device and a control sample of bare silicon rod were directly visualized using near-field microscopy coupled with heterodyne interferometric detection. The experimental results were analyzed and found to match very well with theoretical prediction from numerical simulations thereby validating the design principles and our implementation. Plasmonic nanostructures could be engineered to exhibit unique optical properties such as Fano resonance characterized by narrow asymmetrical lineshape. We present dynamic tuning and symmetry lowering of Fano resonances in plasmonic nanostructures fabricated on flexible substrates. The tuning of Fano resonance was achieved by application of uniaxial mechanical stress. The design of the nanostructures was facilitated by extensive numerical simulations and the symmetry lowering was analyzed using group theoretical methods. The nanostructures were fabricated using electron beam lithography and optically characterized for various mechanical stress. The experimental results were in good
GENESUS: a two-step sequence design program for DNA nanostructure self-assembly.

PubMed

Tsutsumi, Takanobu; Asakawa, Takeshi; Kanegami, Akemi; Okada, Takao; Tahira, Tomoko; Hayashi, Kenshi

2014-01-01

DNA has been recognized as an ideal material for bottom-up construction of nanometer scale structures by self-assembly. The generation of sequences optimized for unique self-assembly (GENESUS) program reported here is a straightforward method for generating sets of strand sequences optimized for self-assembly of arbitrarily designed DNA nanostructures by a generate-candidates-and-choose-the-best strategy. A scalable procedure to prepare single-stranded DNA having arbitrary sequences is also presented. Strands for the assembly of various structures were designed and successfully constructed, validating both the program and the procedure.
Electron transport theory in magnetic nanostructures

NASA Astrophysics Data System (ADS)

Choy, Tat-Sang

Magnetic nanostructure has been a new trend because of its application in making magnetic sensors, magnetic memories, and magnetic reading heads in hard disks drives. Although a variety of nanostructures have been realized in experiments in recent years by innovative sample growth techniques, the theoretical study of these devices remain a challenge. On one hand, atomic scale modeling is often required for studying the magnetic nanostructures; on the other, these structures often have a dimension on the order of one micrometer, which makes the calculation numerically intensive. In this work, we have studied the electron transport theory in magnetic nanostructures, with special attention to the giant magnetoresistance (GMR) structure. We have developed a model that includes the details of the band structure and disorder, both of which are both important in obtaining the conductivity. We have also developed an efficient algorithm to compute the conductivity in magnetic nanostructures. The model and the algorithm are general and can be applied to complicated structures. We have applied the theory to current-perpendicular-to-plane GMR structures and the results agree with experiments. Finally, we have searched for the atomic configuration with the highest GMR using the simulated annealing algorithm. This method is computationally intensive because we have to compute the GMR for 103 to 104 configurations. However it is still very efficient because the number of steps it takes to find the maximum is much smaller than the number of all possible GMR structures. We found that ultra-thin NiCu superlattices have surprisingly large GMR even at the moderate disorder in experiments. This finding may be useful in improving the GMR technology.

Epitaxial growth of hybrid nanostructures

NASA Astrophysics Data System (ADS)

Tan, Chaoliang; Chen, Junze; Wu, Xue-Jun; Zhang, Hua

2018-02-01

Hybrid nanostructures are a class of materials that are typically composed of two or more different components, in which each component has at least one dimension on the nanoscale. The rational design and controlled synthesis of hybrid nanostructures are of great importance in enabling the fine tuning of their properties and functions. Epitaxial growth is a promising approach to the controlled synthesis of hybrid nanostructures with desired structures, crystal phases, exposed facets and/or interfaces. This Review provides a critical summary of the state of the art in the field of epitaxial growth of hybrid nanostructures. We discuss the historical development, architectures and compositions, epitaxy methods, characterization techniques and advantages of epitaxial hybrid nanostructures. Finally, we provide insight into future research directions in this area, which include the epitaxial growth of hybrid nanostructures from a wider range of materials, the study of the underlying mechanism and determining the role of epitaxial growth in influencing the properties and application performance of hybrid nanostructures.
Molecular Design of Bioinspired Nanostructures for Biomedical Applications: Synthesis, Self-Assembly and Functional Properties

NASA Astrophysics Data System (ADS)

Xu, Hesheng Victor; Zheng, Xin Ting; Mok, Beverly Yin Leng; Ibrahim, Salwa Ali; Yu, Yong; Tan, Yen Nee

2016-08-01

Biomolecules are the nanoscale building blocks of cells, which play multifaceted roles in the critical biological processes such as biomineralization in a living organism. In these processes, the biological molecules such as protein and nucleic acids use their exclusive biorecognition properties enabled from their unique chemical composition, shape and function to initiate a cascade of cellular events. The exceptional features of these biomolecules, coupled with the recent advancement in nanotechnology, have led to the emergence of a new research field that focuses on the molecular design of bioinspired nanostructures that inherit the extraordinary function of natural biomaterials. These “bioinspired” nanostructures could be formulated by biomimetic approaches through either self-assembling of biomolecules or acting as a biomolecular template/precursor to direct the synthesis of nanocomposite. In either situation, the resulting nanomaterials exhibit phenomenal biocompatibility, superb aqueous solubility and excellent colloidal stability, branding them exceptionally desirable for both in vitro and in vivo biomedical applications. In this review, we will present the recent developments in the preparation of “bioinspired” nanostructures through biomimetic self-assembly and biotemplating synthesis, as well as highlight their functional properties and potential applications in biomedical diagnostics and therapeutic delivery. Lastly, we will conclude this topic with some personal perspective on the challenges and future outlooks of the “bioinspired” nanostructures for nanomedicine.
A computational microscopy study of nanostructural evolution in irradiated pressure vessel steels

NASA Astrophysics Data System (ADS)

Odette, G. R.; Wirth, B. D.

1997-11-01

Nanostructural features that form in reactor pressure vessel steels under neutron irradiation at around 300°C lead to significant hardening and embrittlement. Continuum thermodynamic-kinetic based rate theories have been very successful in modeling the general characteristics of the copper and manganese nickel rich precipitate evolution, often the dominant source of embrittlement. However, a more detailed atomic scale understanding of these features is needed to interpret experimental measurements and better underpin predictive embrittlement models. Further, other embrittling features, believed to be subnanometer defect (vacancy)-solute complexes and small regions of modest enrichment of solutes are not well understood. A general approach to modeling embrittlement nanostructures, based on the concept of a computational microscope, is described. The objective of the computational microscope is to self-consistently integrate atomic scale simulations with other sources of information, including a wide range of experiments. In this work, lattice Monte Carlo (LMC) simulations are used to resolve the chemically and structurally complex nature of CuMnNiSi precipitates. The LMC simulations unify various nanoscale analytical characterization methods and basic thermodynamics. The LMC simulations also reveal that significant coupled vacancy and solute clustering takes place during cascade aging. The cascade clustering produces the metastable vacancy-cluster solute complexes that mediate flux effects. Cascade solute clustering may also play a role in the formation of dilute atmospheres of solute enrichment and enhance the nucleation of manganese-nickel rich precipitates at low Cu levels. Further, the simulations suggest that complex, highly correlated processes (e.g. cluster diffusion, formation of favored vacancy diffusion paths and solute scavenging vacancy cluster complexes) may lead to anomalous fast thermal aging kinetics at temperatures below about 450°C. The
Structural DNA Nanotechnology: Artificial Nanostructures for Biomedical Research.

PubMed

Ke, Yonggang; Castro, Carlos; Choi, Jong Hyun

2018-06-04

Structural DNA nanotechnology utilizes synthetic or biologic DNA as designer molecules for the self-assembly of artificial nanostructures. The field is founded upon the specific interactions between DNA molecules, known as Watson-Crick base pairing. After decades of active pursuit, DNA has demonstrated unprecedented versatility in constructing artificial nanostructures with significant complexity and programmability. The nanostructures could be either static, with well-controlled physicochemical properties, or dynamic, with the ability to reconfigure upon external stimuli. Researchers have devoted considerable effort to exploring the usability of DNA nanostructures in biomedical research. We review the basic design methods for fabricating both static and dynamic DNA nanostructures, along with their biomedical applications in fields such as biosensing, bioimaging, and drug delivery.
Nano-array integrated monolithic devices: toward rational materials design and multi-functional performance by scalable nanostructures assembly

DOE PAGES

Wang, Sibo; Ren, Zheng; Guo, Yanbing; ...

2016-03-21

We report the scalable three-dimensional (3-D) integration of functional nanostructures into applicable platforms represents a promising technology to meet the ever-increasing demands of fabricating high performance devices featuring cost-effectiveness, structural sophistication and multi-functional enabling. Such an integration process generally involves a diverse array of nanostructural entities (nano-entities) consisting of dissimilar nanoscale building blocks such as nanoparticles, nanowires, and nanofilms made of metals, ceramics, or polymers. Various synthetic strategies and integration methods have enabled the successful assembly of both structurally and functionally tailored nano-arrays into a unique class of monolithic devices. The performance of nano-array based monolithic devices is dictated bymore » a few important factors such as materials substrate selection, nanostructure composition and nano-architecture geometry. Therefore, the rational material selection and nano-entity manipulation during the nano-array integration process, aiming to exploit the advantageous characteristics of nanostructures and their ensembles, are critical steps towards bridging the design of nanostructure integrated monolithic devices with various practical applications. In this article, we highlight the latest research progress of the two-dimensional (2-D) and 3-D metal and metal oxide based nanostructural integrations into prototype devices applicable with ultrahigh efficiency, good robustness and improved functionality. Lastly, selective examples of nano-array integration, scalable nanomanufacturing and representative monolithic devices such as catalytic converters, sensors and batteries will be utilized as the connecting dots to display a roadmap from hierarchical nanostructural assembly to practical nanotechnology implications ranging from energy, environmental, to chemical and biotechnology areas.« less
Nano-array integrated monolithic devices: toward rational materials design and multi-functional performance by scalable nanostructures assembly

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Sibo; Ren, Zheng; Guo, Yanbing

We report the scalable three-dimensional (3-D) integration of functional nanostructures into applicable platforms represents a promising technology to meet the ever-increasing demands of fabricating high performance devices featuring cost-effectiveness, structural sophistication and multi-functional enabling. Such an integration process generally involves a diverse array of nanostructural entities (nano-entities) consisting of dissimilar nanoscale building blocks such as nanoparticles, nanowires, and nanofilms made of metals, ceramics, or polymers. Various synthetic strategies and integration methods have enabled the successful assembly of both structurally and functionally tailored nano-arrays into a unique class of monolithic devices. The performance of nano-array based monolithic devices is dictated bymore » a few important factors such as materials substrate selection, nanostructure composition and nano-architecture geometry. Therefore, the rational material selection and nano-entity manipulation during the nano-array integration process, aiming to exploit the advantageous characteristics of nanostructures and their ensembles, are critical steps towards bridging the design of nanostructure integrated monolithic devices with various practical applications. In this article, we highlight the latest research progress of the two-dimensional (2-D) and 3-D metal and metal oxide based nanostructural integrations into prototype devices applicable with ultrahigh efficiency, good robustness and improved functionality. Lastly, selective examples of nano-array integration, scalable nanomanufacturing and representative monolithic devices such as catalytic converters, sensors and batteries will be utilized as the connecting dots to display a roadmap from hierarchical nanostructural assembly to practical nanotechnology implications ranging from energy, environmental, to chemical and biotechnology areas.« less
Boundary Condition for Modeling Semiconductor Nanostructures

NASA Technical Reports Server (NTRS)

Lee, Seungwon; Oyafuso, Fabiano; von Allmen, Paul; Klimeck, Gerhard

2006-01-01

A recently proposed boundary condition for atomistic computational modeling of semiconductor nanostructures (particularly, quantum dots) is an improved alternative to two prior such boundary conditions. As explained, this boundary condition helps to reduce the amount of computation while maintaining accuracy.
A mobile precursor determines protein resistance on nanostructured surfaces.

PubMed

Wang, Kang; Chen, Ye; Gong, Xiangjun; Xia, Jianlong; Zhao, Junpeng; Shen, Lei

2018-05-09

Biomaterials are often engineered with nanostructured surfaces to control interactions with proteins and thus regulate their biofunctions. However, the mechanism of how nanostructured surfaces resist or attract proteins together with the underlying design rules remains poorly understood at a molecular level, greatly limiting attempts to develop high-performance biomaterials and devices through the rational design of nanostructures. Here, we study the dynamics of nonspecific protein adsorption on block copolymer nanostructures of varying adhesive domain areas in a resistant matrix. Using surface plasmon resonance and single molecule tracking techniques, we show that weakly adsorbed proteins with two-dimensional diffusivity are critical precursors to protein resistance on nanostructured surfaces. The adhesive domain areas must be more than tens or hundreds of times those of the protein footprints to slow down the 2D-mobility of the precursor proteins for their irreversible adsorption. This precursor model can be used to quantitatively analyze the kinetics of nonspecific protein adsorption on nanostructured surfaces. Our method is applicable to precisely manipulate protein adsorption and resistance on various nanostructured surfaces, e.g., amphiphilic, low-surface-energy, and charged nanostructures, for the design of protein-compatible materials.
Design and fabrication of Ni nanowires having periodically hollow nanostructures

NASA Astrophysics Data System (ADS)

Sada, Takao; Fujigaya, Tsuyohiko; Nakashima, Naotoshi

2014-09-01

We propose a concept for the design and fabrication of metal nanowires having periodically hollow nanostructures inside the pores of an anodic aluminum oxide (AAO) membrane using a sacrificial metal. In this study, nickel (Ni) and silver (Ag) were used as the base metal and the sacrificial metal, respectively. Alternating an applied potential between -0.4 and -1.0 V provided alternatively deposited Ni and Ag segments in a Ni-Ag `barcode' nanowire with a diameter of 18 or 35 nm. After etching away the Ag segments, we fabricated Ni nanowires with nanopores of 12 +/- 5.3 nm. Such nanostructure formation is explained by the formation of a Ni shell layer over the surface of the Ag segments due to the strong affinity of Ni2+ for the interior surfaces of AAO. The Ni shell layer allows the Ni segments to remain even after dissolution of the Ag segments. Because the electroplating conditions can be easily controlled, we could carefully adjust the size and pitch of the periodically hollow nanospaces. We also describe a method for the fabrication of Ni nanorods by forming an Ag shell instead of a Ni shell on the Ni-Ag barcode nanowire, in which the interior of the AAO surfaces was modified with a compound bearing a thiol group prior to electroplating.We propose a concept for the design and fabrication of metal nanowires having periodically hollow nanostructures inside the pores of an anodic aluminum oxide (AAO) membrane using a sacrificial metal. In this study, nickel (Ni) and silver (Ag) were used as the base metal and the sacrificial metal, respectively. Alternating an applied potential between -0.4 and -1.0 V provided alternatively deposited Ni and Ag segments in a Ni-Ag `barcode' nanowire with a diameter of 18 or 35 nm. After etching away the Ag segments, we fabricated Ni nanowires with nanopores of 12 +/- 5.3 nm. Such nanostructure formation is explained by the formation of a Ni shell layer over the surface of the Ag segments due to the strong affinity of Ni2+ for the
Chemically Designed Metallic/Insulating Hybrid Nanostructures with Silver Nanocrystals for Highly Sensitive Wearable Pressure Sensors.

PubMed

Kim, Haneun; Lee, Seung-Wook; Joh, Hyungmok; Seong, Mingi; Lee, Woo Seok; Kang, Min Su; Pyo, Jun Beom; Oh, Soong Ju

2018-01-10

With the increase in interest in wearable tactile pressure sensors for e-skin, researches to make nanostructures to achieve high sensitivity have been actively conducted. However, limitations such as complex fabrication processes using expensive equipment still exist. Herein, simple lithography-free techniques to develop pyramid-like metal/insulator hybrid nanostructures utilizing nanocrystals (NCs) are demonstrated. Ligand-exchanged and unexchanged silver NC thin films are used as metallic and insulating components, respectively. The interfaces of each NC layer are chemically engineered to create discontinuous insulating layers, i.e., spacers for improved sensitivity, and eventually to realize fully solution-processed pressure sensors. Device performance analysis with structural, chemical, and electronic characterization and conductive atomic force microscopy study reveals that hybrid nanostructure based pressure sensor shows an enhanced sensitivity of higher than 500 kPa -1 , reliability, and low power consumption with a wide range of pressure sensing. Nano-/micro-hierarchical structures are also designed by combining hybrid nanostructures with conventional microstructures, exhibiting further enhanced sensing range and achieving a record sensitivity of 2.72 × 10 4 kPa -1 . Finally, all-solution-processed pressure sensor arrays with high pixel density, capable of detecting delicate signals with high spatial selectivity much better than the human tactile threshold, are introduced.
Computational strategies for the automated design of RNA nanoscale structures from building blocks using NanoTiler.

PubMed

Bindewald, Eckart; Grunewald, Calvin; Boyle, Brett; O'Connor, Mary; Shapiro, Bruce A

2008-10-01

One approach to designing RNA nanoscale structures is to use known RNA structural motifs such as junctions, kissing loops or bulges and to construct a molecular model by connecting these building blocks with helical struts. We previously developed an algorithm for detecting internal loops, junctions and kissing loops in RNA structures. Here we present algorithms for automating or assisting many of the steps that are involved in creating RNA structures from building blocks: (1) assembling building blocks into nanostructures using either a combinatorial search or constraint satisfaction; (2) optimizing RNA 3D ring structures to improve ring closure; (3) sequence optimisation; (4) creating a unique non-degenerate RNA topology descriptor. This effectively creates a computational pipeline for generating molecular models of RNA nanostructures and more specifically RNA ring structures with optimized sequences from RNA building blocks. We show several examples of how the algorithms can be utilized to generate RNA tecto-shapes.
Computational strategies for the automated design of RNA nanoscale structures from building blocks using NanoTiler☆

PubMed Central

Bindewald, Eckart; Grunewald, Calvin; Boyle, Brett; O’Connor, Mary; Shapiro, Bruce A.

2013-01-01

One approach to designing RNA nanoscale structures is to use known RNA structural motifs such as junctions, kissing loops or bulges and to construct a molecular model by connecting these building blocks with helical struts. We previously developed an algorithm for detecting internal loops, junctions and kissing loops in RNA structures. Here we present algorithms for automating or assisting many of the steps that are involved in creating RNA structures from building blocks: (1) assembling building blocks into nanostructures using either a combinatorial search or constraint satisfaction; (2) optimizing RNA 3D ring structures to improve ring closure; (3) sequence optimisation; (4) creating a unique non-degenerate RNA topology descriptor. This effectively creates a computational pipeline for generating molecular models of RNA nanostructures and more specifically RNA ring structures with optimized sequences from RNA building blocks. We show several examples of how the algorithms can be utilized to generate RNA tecto-shapes. PMID:18838281
Magnetic Binary Silicide Nanostructures.

PubMed

Goldfarb, Ilan; Cesura, Federico; Dascalu, Matan

2018-05-02

In spite of numerous advantageous properties of silicides, magnetic properties are not among them. Here, the magnetic properties of epitaxial binary silicide nanostructures are discussed. The vast majority of binary transition-metal silicides lack ferromagnetic order in their bulk-size crystals. Silicides based on rare-earth metals are usually weak ferromagnets or antiferromagnets, yet both groups tend to exhibit increased magnetic ordering in low-dimensional nanostructures, in particular at low temperatures. The origin of this surprising phenomenon lies in undercoordinated atoms at the nanostructure extremities, such as 2D (surfaces/interfaces), 1D (edges), and 0D (corners) boundaries. Uncompensated superspins of edge atoms increase the nanostructure magnetic shape anisotropy to the extent where it prevails over its magnetocrystalline counterpart, thus providing a plausible route toward the design of a magnetic response from nanostructure arrays in Si-based devices, such as bit-patterned magnetic recording media and spin injectors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Molecularly Designed Ultrafine/Nanostructured Materials

DTIC Science & Technology

1994-04-08

Ti. UdIOVic. R R, Cananaeh. /iXn. S. Kawi, T. Mure, and B1 C Gates STUDIIES OF- NANOSTRUCTURED M50 TYPE STEEL USING X - RAY AB3SORPTION SPFECTROSCOPY...hydrogenation of titanium or zirconium sponges and related systems and as a powerful activator for heterogeneous hydrogenation catalysts. X - ray ... X - ray diffraction). Quantitave measurements of the gas evolved during the reduction (1 mol H2 per mol Ti), protonolysis and cross experiments using K
Design of a patterned nanostructure array using a nanosecond pulsed laser

NASA Astrophysics Data System (ADS)

Yoshida, Yutaka; Ohnishi, Ko; Matsuo, Yasutaka; Watanabe, Seiichi

2018-04-01

For design the patterned nanostructure array (PNSA) on material surface using a nanosecond pulsed laser, we investigated the influence of phase shift between scattered lights on silicon (Si) substrate using 30-nm-wide gold lines (GLs) spacings. At a spacing of 5,871 nm, ten nanodot (ND) arrays were formed at intervals of 533 nm by nanosecond pulsed laser. The results show that the formation of the PNSA was affected by the resonance of scattered light. We conclude that ND arrays were formed with a spacing of Λ = nλ. And we have designed PNSA comprising two ND arrays on the substrate. The PNSA with dimensions of 1,600 nm × 1,600 nm was prepared using GLs.
First-principles study of the binding energy between nanostructures and its scaling with system size

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Jiao, Yang; Mo, Yuxiang; Yang, Zeng-Hui; Zhu, Jian-Xin; Hyldgaard, Per; Perdew, John P.

2018-04-01

The equilibrium van der Waals binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling behavior from first-principles calculations. We show that the equilibrium binding energy per atom between identical nanostructures can scale up or down with nanostructure size, but can be parametrized for large N with an analytical formula (in meV/atom), Eb/N =a +b /N +c /N2+d /N3 , where N is the number of atoms in a nanostructure and a , b , c , and d are fitting parameters, depending on the properties of a nanostructure. The formula is consistent with a finite large-size limit of binding energy per atom. We find that there are two competing factors in the determination of the binding energy: Nonadditivities of van der Waals coefficients and center-to-center distance between nanostructures. To decode the detail, the nonadditivity of the static multipole polarizability is investigated from an accurate spherical-shell model. We find that the higher-order multipole polarizability displays ultrastrong intrinsic nonadditivity, no matter if the dipole polarizability is additive or not.
Design of hybrid two-dimensional and three-dimensional nanostructured arrays for electronic and sensing applications

NASA Astrophysics Data System (ADS)

Ko, Hyunhyub

This dissertation presents the design of organic/inorganic hybrid 2D and 3D nanostructured arrays via controlled assembly of nanoscale building blocks. Two representative nanoscale building blocks such as carbon nanotubes (one-dimension) and metal nanoparticles (zero-dimension) are the core materials for the study of solution-based assembly of nanostructured arrays. The electrical, mechanical, and optical properties of the assembled nanostructure arrays have been investigated for future device applications. We successfully demonstrated the prospective use of assembled nanostructure arrays for electronic and sensing applications by designing flexible carbon nanotube nanomembranes as mechanical sensors, highly-oriented carbon nanotubes arrays for thin-film transistors, and gold nanoparticle arrays for SERS chemical sensors. In first section, we fabricated highly ordered carbon nanotube (CNT) arrays by tilted drop-casting or dip-coating of CNT solution on silicon substrates functionalized with micropatterned self-assembled monolayers. We further exploited the electronic performance of thin-film transistors based on highly-oriented, densely packed CNT micropatterns and showed that the carrier mobility is largely improved compared to randomly oriented CNTs. The prospective use of Raman-active CNTs for potential mechanical sensors has been investigated by studying the mechano-optical properties of flexible carbon nanotube nanomembranes, which contain freely-suspended carbon nanotube array encapsulated into ultrathin (<50 nm) layer-by-layer (LbL) polymer multilayers. In second section, we fabricated 3D nano-canal arrays of porous alumina membranes decorated with gold nanoparticles for prospective SERS sensors. We showed extraordinary SERS enhancement and suggested that the high performance is associated with the combined effects of Raman-active hot spots of nanoparticle aggregates and the optical waveguide properties of nano-canals. We demonstrated the ability of this
Rhombic-Shaped Nanostructures and Mechanical Properties of 2D DNA Origami Constructed with Different Crossover/Nick Designs.

PubMed

Ma, Zhipeng; Huang, Yunfei; Park, Seongsu; Kawai, Kentaro; Kim, Do-Nyun; Hirai, Yoshikazu; Tsuchiya, Toshiyuki; Yamada, Hirofumi; Tabata, Osamu

2018-01-01

DNA origami methods enable the fabrication of various nanostructures and nanodevices, but their effective use depends on an understanding of their structural and mechanical properties and the effects of basic structural features. Frequency-modulation atomic force microscopy is introduced to directly characterize, in aqueous solution, the crossover regions of sets of 2D DNA origami based on different crossover/nick designs. Rhombic-shaped nanostructures formed under the influence of flexible crossovers placed between DNA helices are observed in DNA origami incorporating crossovers every 3, 4, or 6 DNA turns. The bending rigidity of crossovers is determined to be only one-third of that of the DNA helix, based on interhelical electrostatic forces reported elsewhere, and the measured pitches of the 3-turn crossover design rhombic-shaped nanostructures undergoing negligible bending. To evaluate the robustness of their structural integrity, they are intentionally and simultaneously stressed using force-controlled atomic force microscopy. DNA crossovers are verified to have a stabilizing effect on the structural robustness, while the nicks have an opposite effect. The structural and mechanical properties of DNA origami and the effects of crossovers and nicks revealed in this paper can provide information essential for the design of versatile DNA origami structures that exhibit specified and desirable properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Design, fabrication, and characterization of metallic nanostructures for surface-enhanced Raman spectroscopy and plasmonic applications

NASA Astrophysics Data System (ADS)

Hao, Qingzhen

Metal/dielectric nanostructures have the ability to sustain coherent electron oscillations known as surface plasmons. Due to their capability of localizing and guiding light in sub-wavelength metal nanostructures beyond diffraction limits, surface plasmon-based photonics, or “plasmonics” has opened new physical phenomena and lead to novel applications in metamaterials, optoelectronics, surface enhanced spectroscopy and biological sensing. This dissertation centers on design, fabrication, characterization of metallic nanostructures and their applications in surface-enhanced Raman spectroscopy (SERS) and actively tunable plasmonics. Metal-dielectric nanostructures are the building blocks for photonic metamaterials. One valuable design guideline for metamaterials is the Babinet’s principle, which governs the optical properties of complementary nanostructures. However, most complementary metamaterials are designed for the far infrared region or beyond, where the optical absorption of metal is small. We have developed a novel dual fabrication method, capable of simultaneously producing optically thin complementary structures. From experimental measurements and theoretical simulations, we showed that Babinet’s principle qualitatively holds in the visible region for the optically thin complements. The complementary structure is also a good platform to study subtle differences between nanoparticles and nanoholes in SERS (a surface sensitive technique, which can enhance the conventional Raman cross-section by 106˜108 fold, thus very useful for highly sensitive biochemical sensing). Through experimental measurement and theoretical analysis, we showed that the SERS enhancement spectrum (plot of SERS enhancement versus excitation wavelengths), dominated by local near-field, for nanoholes closely follows their far-field optical transmission spectrum. However, the enhancement spectrum for nanoparticles red-shifts significantly from their far-field optical extinction
Computer Guided Instructional Design.

ERIC Educational Resources Information Center

Merrill, M. David; Wood, Larry E.

1984-01-01

Describes preliminary efforts to create the Lesson Design System, a computer-guided instructional design system written in Pascal for Apple microcomputers. Its content outline, strategy, display, and online lesson editors correspond roughly to instructional design phases of content and strategy analysis, display creation, and computer programing…

Hierarchically Nanostructured Materials for Sustainable Environmental Applications

NASA Astrophysics Data System (ADS)

Ren, Zheng; Guo, Yanbing; Liu, Cai-Hong; Gao, Pu-Xian

2013-11-01

This article presents a comprehensive overview of the hierarchical nanostructured materials with either geometry or composition complexity in environmental applications. The hierarchical nanostructures offer advantages of high surface area, synergistic interactions and multiple functionalities towards water remediation, environmental gas sensing and monitoring as well as catalytic gas treatment. Recent advances in synthetic strategies for various hierarchical morphologies such as hollow spheres and urchin-shaped architectures have been reviewed. In addition to the chemical synthesis, the physical mechanisms associated with the materials design and device fabrication have been discussed for each specific application. The development and application of hierarchical complex perovskite oxide nanostructures have also been introduced in photocatalytic water remediation, gas sensing and catalytic converter. Hierarchical nanostructures will open up many possibilities for materials design and device fabrication in environmental chemistry and technology.
DNA origami compliant nanostructures with tunable mechanical properties.

PubMed

Zhou, Lifeng; Marras, Alexander E; Su, Hai-Jun; Castro, Carlos E

2014-01-28

DNA origami enables fabrication of precise nanostructures by programming the self-assembly of DNA. While this approach has been used to make a variety of complex 2D and 3D objects, the mechanical functionality of these structures is limited due to their rigid nature. We explore the fabrication of deformable, or compliant, objects to establish a framework for mechanically functional nanostructures. This compliant design approach is used in macroscopic engineering to make devices including sensors, actuators, and robots. We build compliant nanostructures by utilizing the entropic elasticity of single-stranded DNA (ssDNA) to locally bend bundles of double-stranded DNA into bent geometries whose curvature and mechanical properties can be tuned by controlling the length of ssDNA strands. We demonstrate an ability to achieve a wide range of geometries by adjusting a few strands in the nanostructure design. We further developed a mechanical model to predict both geometry and mechanical properties of our compliant nanostructures that agrees well with experiments. Our results provide a basis for the design of mechanically functional DNA origami devices and materials.
Terminating DNA Tile Assembly with Nanostructured Caps.

PubMed

Agrawal, Deepak K; Jiang, Ruoyu; Reinhart, Seth; Mohammed, Abdul M; Jorgenson, Tyler D; Schulman, Rebecca

2017-10-24

Precise control over the nucleation, growth, and termination of self-assembly processes is a fundamental tool for controlling product yield and assembly dynamics. Mechanisms for altering these processes programmatically could allow the use of simple components to self-assemble complex final products or to design processes allowing for dynamic assembly or reconfiguration. Here we use DNA tile self-assembly to develop general design principles for building complexes that can bind to a growing biomolecular assembly and terminate its growth by systematically characterizing how different DNA origami nanostructures interact with the growing ends of DNA tile nanotubes. We find that nanostructures that present binding interfaces for all of the binding sites on a growing facet can bind selectively to growing ends and stop growth when these interfaces are presented on either a rigid or floppy scaffold. In contrast, nucleation of nanotubes requires the presentation of binding sites in an arrangement that matches the shape of the structure's facet. As a result, it is possible to build nanostructures that can terminate the growth of existing nanotubes but cannot nucleate a new structure. The resulting design principles for constructing structures that direct nucleation and termination of the growth of one-dimensional nanostructures can also serve as a starting point for programmatically directing two- and three-dimensional crystallization processes using nanostructure design.
Design of an ultrabroadband visible metamaterial absorber based on three-dimensional metallic nanostructures

NASA Astrophysics Data System (ADS)

Luo, Hao; Cheng, Yong Zhi

2017-09-01

We present the design and numerical simulations of an ultrabroadband visible metamaterial absorber (MMA) with polarization-insensitive and wide-angle based on three-dimensional (3D) metallic nanostructure. Distinct from previous designs, the proposed visible MMA only consisted of structured 3D metallic film constructed with an assembly of four vertical split-rings (FVSR) structure. For the optimized design of our MMA, the absorbance of over 90% with a relative bandwidth of 94.8% can be obtained. Further simulation results indicate that our design is polarization-insensitive and also operated well in a wide range of incident angles for both TE and TM modes. In addition, the designed visible MMA design can tolerate some geometric parameters errors in fabrication. Thus, the proposed visible MMA can be potential application in the photodetectors, thermal imaging, photoelectrochemical, and solar energy harvesting devices.
Porphyrin-Based Nanostructures for Photocatalytic Applications

PubMed Central

Chen, Yingzhi; Li, Aoxiang; Huang, Zheng-Hong; Wang, Lu-Ning; Kang, Feiyu

2016-01-01

Well-defined organic nanostructures with controllable size and morphology are increasingly exploited in optoelectronic devices. As promising building blocks, porphyrins have demonstrated great potentials in visible-light photocatalytic applications, because of their electrical, optical and catalytic properties. From this perspective, we have summarized the recent significant advances on the design and photocatalytic applications of porphyrin-based nanostructures. The rational strategies, such as texture or crystal modification and interfacial heterostructuring, are described. The applications of the porphyrin-based nanostructures in photocatalytic pollutant degradation and hydrogen evolution are presented. Finally, the ongoing challenges and opportunities for the future development of porphyrin nanostructures in high-quality nanodevices are also proposed. PMID:28344308
Engineering metallic nanostructures for plasmonics and nanophotonics

PubMed Central

Lindquist, Nathan C; Nagpal, Prashant; McPeak, Kevin M; Norris, David J; Oh, Sang-Hyun

2012-01-01

Metallic nanostructures now play an important role in many applications. In particular, for the emerging fields of plasmonics and nanophotonics, the ability to engineer metals on nanometric scales allows the development of new devices and the study of exciting physics. This review focuses on top-down nanofabrication techniques for engineering metallic nanostructures, along with computational and experimental characterization techniques. A variety of current and emerging applications are also covered. PMID:22790420
Engineering metallic nanostructures for plasmonics and nanophotonics

NASA Astrophysics Data System (ADS)

Lindquist, Nathan C.; Nagpal, Prashant; McPeak, Kevin M.; Norris, David J.; Oh, Sang-Hyun

2012-03-01

Metallic nanostructures now play an important role in many applications. In particular, for the emerging fields of plasmonics and nanophotonics, the ability to engineer metals on nanometric scales allows the development of new devices and the study of exciting physics. This review focuses on top-down nanofabrication techniques for engineering metallic nanostructures, along with computational and experimental characterization techniques. A variety of current and emerging applications are also covered.
The Physics and Applications of a 3D Plasmonic Nanostructure

NASA Astrophysics Data System (ADS)

Terranova, Brandon B.

In this work, the dynamics of electromagnetic field interactions with free electrons in a 3D metallic nanostructure is evaluated theoretically. This dissertation starts by reviewing the relevant fundamentals of plasmonics and modern applications of plasmonic systems. Then, motivated by the need to have a simpler way of understanding the surface charge dynamics on complex plasmonic nanostructures, a new plasmon hybridization tree method is introduced. This method provides the plasmonicist with an intuitive way to determine the response of free electrons to incident light in complex nanostructures within the electrostatic regime. Next, a novel 3D plasmonic nanostructure utilizing reflective plasmonic coupling is designed to perform biosensing and plasmonic tweezing applications. By applying analytical and numerical methods, the effectiveness of this nanostructure at performing these applications is determined from the plasmonic response of the nanostructure to an excitation beam of coherent light. During this analysis, it was discovered that under certain conditions, this 3D nanostructure exhibits a plasmonic Fano resonance resulting from the interference of an in-plane dark mode and an out-of-plane bright mode. In evaluating this nanostructure for sensing changes in the local dielectric environment, a figure of merit of 68 is calculated, which is competitive with current localized surface plasmon resonance refractometric sensors. By evaluating the Maxwell stress tensor on a test particle in the vicinity of the nanostructure, it was found that under the right conditions, this plasmonic nanostructure design is capable of imparting forces greater than 10.5 nN on dielectric objects of nanoscale dimensions. The results obtained in these studies provides new routes to the design and engineering of 3D plasmonic nanostructures and Fano resonances in these systems. In addition, the nanostructure presented in this work and the design principles it utilizes have shown
Design and fabrication of Ni nanowires having periodically hollow nanostructures.

PubMed

Sada, Takao; Fujigaya, Tsuyohiko; Nakashima, Naotoshi

2014-10-07

We propose a concept for the design and fabrication of metal nanowires having periodically hollow nanostructures inside the pores of an anodic aluminum oxide (AAO) membrane using a sacrificial metal. In this study, nickel (Ni) and silver (Ag) were used as the base metal and the sacrificial metal, respectively. Alternating an applied potential between -0.4 and -1.0 V provided alternatively deposited Ni and Ag segments in a Ni-Ag 'barcode' nanowire with a diameter of 18 or 35 nm. After etching away the Ag segments, we fabricated Ni nanowires with nanopores of 12 ± 5.3 nm. Such nanostructure formation is explained by the formation of a Ni shell layer over the surface of the Ag segments due to the strong affinity of Ni(2+) for the interior surfaces of AAO. The Ni shell layer allows the Ni segments to remain even after dissolution of the Ag segments. Because the electroplating conditions can be easily controlled, we could carefully adjust the size and pitch of the periodically hollow nanospaces. We also describe a method for the fabrication of Ni nanorods by forming an Ag shell instead of a Ni shell on the Ni-Ag barcode nanowire, in which the interior of the AAO surfaces was modified with a compound bearing a thiol group prior to electroplating.
Hierarchically nanostructured materials for sustainable environmental applications

PubMed Central

Ren, Zheng; Guo, Yanbing; Liu, Cai-Hong; Gao, Pu-Xian

2013-01-01

This review presents a comprehensive overview of the hierarchical nanostructured materials with either geometry or composition complexity in environmental applications. The hierarchical nanostructures offer advantages of high surface area, synergistic interactions, and multiple functionalities toward water remediation, biosensing, environmental gas sensing and monitoring as well as catalytic gas treatment. Recent advances in synthetic strategies for various hierarchical morphologies such as hollow spheres and urchin-shaped architectures have been reviewed. In addition to the chemical synthesis, the physical mechanisms associated with the materials design and device fabrication have been discussed for each specific application. The development and application of hierarchical complex perovskite oxide nanostructures have also been introduced in photocatalytic water remediation, gas sensing, and catalytic converter. Hierarchical nanostructures will open up many possibilities for materials design and device fabrication in environmental chemistry and technology. PMID:24790946
Design and development of plasmonic nanostructured electrodes for ITO-free organic photovoltaic cells on rigid and highly flexible substrates

NASA Astrophysics Data System (ADS)

Richardson, Beau J.; Zhu, Leize; Yu, Qiuming

2017-04-01

Indium tin oxide (ITO) is the most common transparent electrode used in organic photovoltaics (OPVs), yet limited indium reserves and poor mechanical properties make it non-ideal for large-scale OPV production. To replace ITO, we designed, fabricated, and deployed plasmonic nanostructured electrodes in inverted OPV devices. We found that active layer absorption is significantly impacted by ZnO thickness which affects the optical field distribution inside the resonant cavity formed between the plasmonic nanostructured electrode and top electrode. High quality Cr/Au nanostructured electrodes were fabricated by nanoimprint lithography and deployed in ITO-free inverted devices on glass. Devices with thinner ZnO showed a PCE as high as 5.70% and higher J SC’s than devices on thicker ZnO, in agreement with finite-difference time-domain simulations. In addition, as the active layer was made optically thin, ITO-based devices showed diminished J SC while the resonant cavity effect from plasmonic nanostructured electrodes retained J SC. Preliminary ITO-free, flexible devices on PET showed a PCE of 1.82% and those fabricated on ultrathin and conformable Parylene substrates yielded an initial PCE over 1%. The plasmonic electrodes and device designs in this work show promise for developing highly functioning conformable devices that can be applied to numerous needs for lightweight, ubiquitous power generation.
Biomimetic design processes in architecture: morphogenetic and evolutionary computational design.

PubMed

Menges, Achim

2012-03-01

Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies.
Computational modeling and simulation study of electronic and thermal properties in semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Paul, Abhijeet

2011-07-01

The technological progress in dimensional scaling has not only kept Silicon CMOS industry on Moore's law for the past five decades but has also benefited many other areas such as thermoelectricity, photo-voltaics, and energy storage. Extending CMOS beyond Si (More Moore, MM) and adding functional diversity to CMOS (More Than Moore, MTM) requires a thorough understanding of the basic electron and heat flow in semiconductors. Along with experiments computer modeling and simulation are playing an increasingly vital role in exploring the numerous possibilities in materials, devices and systems. With these aspects in mind the present work applies computational physics modeling and simulations to explore the, (i) electronic, (ii) thermal, and (iii) thermoelectric properties in nano-scale semiconductors. The electronic structure of zinc-blende and lead-chalcogenide nano-materials is calculated using an atomistic Tight-Binding model. The phonon dispersion in zinc-blende materials is obtained using the Modified Valence Force Field model. Electronic and thermal transport at the nano-scale is explored using Green's function method and Landauer's method. Thermoelectric properties of semiconductor nanostructures are calculated using Landauer's method. Using computer modeling and simulations the variation of the three physical properties (i-iii) are explored with varying size, transport orientation, shape, porosity, strain and alloying of nanostructures. The key findings are, (a) III-Vs and Ge with optimized strain and orientation can improve transistors' and thermoelectric performance, (b) porous Si nanowires provide a lucrative idea for enhancing the thermoelectric efficiency at room temperature, and (c) Si/Ge superlattice nanowires can be used for nano-scale tuning of lattice thermal conductivity by period control. The present work led to the development of two new interface trap density extraction methods in ultra-scaled FinFETs and correlation of the phonon shifts in Si
Conformational diversity and computational enzyme design

PubMed Central

Lassila, Jonathan K.

2010-01-01

The application of computational protein design methods to the design of enzyme active sites offers potential routes to new catalysts and new reaction specificities. Computational design methods have typically treated the protein backbone as a rigid structure for the sake of computational tractability. However, this fixed-backbone approximation introduces its own special challenges for enzyme design and it contrasts with an emerging picture of natural enzymes as dynamic ensembles with multiple conformations and motions throughout a reaction cycle. This review considers the impact of conformational variation and dynamics on computational enzyme design and it highlights new approaches to addressing protein conformational diversity in enzyme design including recent advances in multistate design, backbone flexibility, and computational library design. PMID:20829099
Melanin-templated rapid synthesis of silver nanostructures

PubMed Central

2014-01-01

Background As a potent antimicrobial agent, silver nanostructures have been used in nanosensors and nanomaterial-based assays for the detection of food relevant analytes such as organic molecules, aroma, chemical contaminants, gases and food borne pathogens. In addition silver based nanocomposites act as an antimicrobial for food packaging materials. In this prospective, the food grade melanin pigment extracted from sponge associated actinobacterium Nocardiopsis alba MSA10 and melanin mediated synthesis of silver nanostructures were studied. Based on the present findings, antimicrobial nanostructures can be developed against food pathogens for food industrial applications. Results Briefly, the sponge associated actinobacterium N. alba MSA10 was screened and fermentation conditions were optimized for the production of melanin pigment. The Plackett-Burman design followed by a Box-Behnken design was developed to optimize the concentration of most significant factors for improved melanin yield. The antioxidant potential, reductive capabilities and physiochemical properties of Nocardiopsis melanin was characterized. The optimum production of melanin was attained with pH 7.5, temperature 35°C, salinity 2.5%, sucrose 25 g/L and tyrosine 12.5 g/L under submerged fermentation conditions. A highest melanin production of 3.4 mg/ml was reached with the optimization using Box-Behnken design. The purified melanin showed rapid reduction and stabilization of silver nanostructures. The melanin mediated process produced uniform and stable silver nanostructures with broad spectrum antimicrobial activity against food pathogens. Conclusions The melanin pigment produced by N. alba MSA10 can be used for environmentally benign synthesis of silver nanostructures and can be useful for food packaging materials. The characteristics of broad spectrum of activity against food pathogens of silver nanostructures gives an insight for their potential applicability in incorporation of food
Parallel Computational Protein Design.

PubMed

Zhou, Yichao; Donald, Bruce R; Zeng, Jianyang

2017-01-01

Computational structure-based protein design (CSPD) is an important problem in computational biology, which aims to design or improve a prescribed protein function based on a protein structure template. It provides a practical tool for real-world protein engineering applications. A popular CSPD method that guarantees to find the global minimum energy solution (GMEC) is to combine both dead-end elimination (DEE) and A* tree search algorithms. However, in this framework, the A* search algorithm can run in exponential time in the worst case, which may become the computation bottleneck of large-scale computational protein design process. To address this issue, we extend and add a new module to the OSPREY program that was previously developed in the Donald lab (Gainza et al., Methods Enzymol 523:87, 2013) to implement a GPU-based massively parallel A* algorithm for improving protein design pipeline. By exploiting the modern GPU computational framework and optimizing the computation of the heuristic function for A* search, our new program, called gOSPREY, can provide up to four orders of magnitude speedups in large protein design cases with a small memory overhead comparing to the traditional A* search algorithm implementation, while still guaranteeing the optimality. In addition, gOSPREY can be configured to run in a bounded-memory mode to tackle the problems in which the conformation space is too large and the global optimal solution cannot be computed previously. Furthermore, the GPU-based A* algorithm implemented in the gOSPREY program can be combined with the state-of-the-art rotamer pruning algorithms such as iMinDEE (Gainza et al., PLoS Comput Biol 8:e1002335, 2012) and DEEPer (Hallen et al., Proteins 81:18-39, 2013) to also consider continuous backbone and side-chain flexibility.
Periodic nanostructural materials for nanoplasmonics

NASA Astrophysics Data System (ADS)

Choi, Dukhyun

2017-02-01

Nanoscale periodic material design and fabrication are essentially fundamental requirement for basic scientific researches and industrial applications of nanoscience and engineering. Innovative, effective, reproducible, large-area uniform, tunable and robust nanostructure/material syntheses are still challenging. Here, I would like to introduce the novel periodic nanostructural materials particularly with uniformly ordered nanoporous or nanoflower structures, which are fabricated by simple, cost-effective, and high-throughput wet chemical methods. I also report large-area periodic plasmonic nanostructures based on template-based nanolithography. The surface morphology and optical properties are characterized by SEM and UV-vis. spectroscopy. Furthermore, their enhancement factor is evaluated by using SERS signals.
Complex Hollow Nanostructures: Synthesis and Energy-Related Applications.

PubMed

Yu, Le; Hu, Han; Wu, Hao Bin; Lou, Xiong Wen David

2017-04-01

Hollow nanostructures offer promising potential for advanced energy storage and conversion applications. In the past decade, considerable research efforts have been devoted to the design and synthesis of hollow nanostructures with high complexity by manipulating their geometric morphology, chemical composition, and building block and interior architecture to boost their electrochemical performance, fulfilling the increasing global demand for renewable and sustainable energy sources. In this Review, we present a comprehensive overview of the synthesis and energy-related applications of complex hollow nanostructures. After a brief classification, the design and synthesis of complex hollow nanostructures are described in detail, which include hierarchical hollow spheres, hierarchical tubular structures, hollow polyhedra, and multi-shelled hollow structures, as well as their hybrids with nanocarbon materials. Thereafter, we discuss their niche applications as electrode materials for lithium-ion batteries and hybrid supercapacitors, sulfur hosts for lithium-sulfur batteries, and electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions. The potential superiorities of complex hollow nanostructures for these applications are particularly highlighted. Finally, we conclude this Review with urgent challenges and further research directions of complex hollow nanostructures for energy-related applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The design, fabrication, and photocatalytic utility of nanostructured semiconductors: focus on TiO2-based nanostructures

PubMed Central

Banerjee, Arghya Narayan

2011-01-01

Recent advances in basic fabrication techniques of TiO2-based nanomaterials such as nanoparticles, nanowires, nanoplatelets, and both physical- and solution-based techniques have been adopted by various research groups around the world. Our research focus has been mainly on various deposition parameters used for fabricating nanostructured materials, including TiO2-organic/inorganic nanocomposite materials. Technically, TiO2 shows relatively high reactivity under ultraviolet light, the energy of which exceeds the band gap of TiO2. The development of photocatalysts exhibiting high reactivity under visible light allows the main part of the solar spectrum to be used. Visible light-activated TiO2 could be prepared by doping or sensitizing. As far as doping of TiO2 is concerned, in obtaining tailored material with improved properties, metal and nonmetal doping has been performed in the context of improved photoactivity. Nonmetal doping seems to be more promising than metal doping. TiO2 represents an effective photocatalyst for water and air purification and for self-cleaning surfaces. Additionally, it can be used as an antibacterial agent because of its strong oxidation activity and superhydrophilicity. Therefore, applications of TiO2 in terms of photocatalytic activities are discussed here. The basic mechanisms of the photoactivities of TiO2 and nanostructures are considered alongside band structure engineering and surface modification in nanostructured TiO2 in the context of doping. The article reviews the basic structural, optical, and electrical properties of TiO2, followed by detailed fabrication techniques of 0-, 1-, and quasi-2-dimensional TiO2 nanomaterials. Applications and future directions of nanostructured TiO2 are considered in the context of various photoinduced phenomena such as hydrogen production, electricity generation via dye-sensitized solar cells, photokilling and self-cleaning effect, photo-oxidation of organic pollutant, wastewater management, and
Algorithmic Mechanism Design of Evolutionary Computation.

PubMed

Pei, Yan

2015-01-01

We consider algorithmic design, enhancement, and improvement of evolutionary computation as a mechanism design problem. All individuals or several groups of individuals can be considered as self-interested agents. The individuals in evolutionary computation can manipulate parameter settings and operations by satisfying their own preferences, which are defined by an evolutionary computation algorithm designer, rather than by following a fixed algorithm rule. Evolutionary computation algorithm designers or self-adaptive methods should construct proper rules and mechanisms for all agents (individuals) to conduct their evolution behaviour correctly in order to definitely achieve the desired and preset objective(s). As a case study, we propose a formal framework on parameter setting, strategy selection, and algorithmic design of evolutionary computation by considering the Nash strategy equilibrium of a mechanism design in the search process. The evaluation results present the efficiency of the framework. This primary principle can be implemented in any evolutionary computation algorithm that needs to consider strategy selection issues in its optimization process. The final objective of our work is to solve evolutionary computation design as an algorithmic mechanism design problem and establish its fundamental aspect by taking this perspective. This paper is the first step towards achieving this objective by implementing a strategy equilibrium solution (such as Nash equilibrium) in evolutionary computation algorithm.

Algorithmic Mechanism Design of Evolutionary Computation

PubMed Central

2015-01-01

We consider algorithmic design, enhancement, and improvement of evolutionary computation as a mechanism design problem. All individuals or several groups of individuals can be considered as self-interested agents. The individuals in evolutionary computation can manipulate parameter settings and operations by satisfying their own preferences, which are defined by an evolutionary computation algorithm designer, rather than by following a fixed algorithm rule. Evolutionary computation algorithm designers or self-adaptive methods should construct proper rules and mechanisms for all agents (individuals) to conduct their evolution behaviour correctly in order to definitely achieve the desired and preset objective(s). As a case study, we propose a formal framework on parameter setting, strategy selection, and algorithmic design of evolutionary computation by considering the Nash strategy equilibrium of a mechanism design in the search process. The evaluation results present the efficiency of the framework. This primary principle can be implemented in any evolutionary computation algorithm that needs to consider strategy selection issues in its optimization process. The final objective of our work is to solve evolutionary computation design as an algorithmic mechanism design problem and establish its fundamental aspect by taking this perspective. This paper is the first step towards achieving this objective by implementing a strategy equilibrium solution (such as Nash equilibrium) in evolutionary computation algorithm. PMID:26257777
Aggregate nanostructures of organic molecular materials.

PubMed

Liu, Huibiao; Xu, Jialiang; Li, Yongjun; Li, Yuliang

2010-12-21

Conjugated organic molecules are interesting materials because of their structures and their electronic, electrical, magnetic, optical, biological, and chemical properties. However, researchers continue to face great challenges in the construction of well-defined organic compounds that aggregate into larger molecular materials such as nanowires, tubes, rods, particles, walls, films, and other structural arrays. Such nanoscale materials could serve as direct device components. In this Account, we describe our recent progress in the construction of nanostructures formed through the aggregation of organic conjugated molecules and in the investigation of the optical, electrical, and electronic properties that depend on the size or morphology of these nanostructures. We have designed and synthesized functional conjugated organic molecules with structural features that favor assembly into aggregate nanostructures via weak intermolecular interactions. These large-area ordered molecular aggregate nanostructures are based on a variety of simpler structures such as fullerenes, perylenes, anthracenes, porphyrins, polydiacetylenes, and their derivatives. We have developed new methods to construct these larger structures including organic vapor-solid phase reaction, natural growth, association via self-polymerization and self-organization, and a combination of self-assembly and electrochemical growth. These methods are both facile and reliable, allowing us to produce ordered and aligned aggregate nanostructures, such as large-area arrays of nanowires, nanorods, and nanotubes. In addition, we can synthesize nanoscale materials with controlled properties. Large-area ordered aggregate nanostructures exhibit interesting electrical, optical, and optoelectronic properties. We also describe the preparation of large-area aggregate nanostructures of charge transfer (CT) complexes using an organic solid-phase reaction technique. By this process, we can finely control the morphologies and
Computational characterization of ordered nanostructured surfaces

NASA Astrophysics Data System (ADS)

Mohieddin Abukhdeir, Nasser

2016-08-01

A vital and challenging task for materials researchers is to determine relationships between material characteristics and desired properties. While the measurement and assessment of material properties can be complex, quantitatively characterizing their structure is frequently a more challenging task. This issue is magnified for materials researchers in the areas of nanoscience and nanotechnology, where material structure is further complicated by phenomena such as self-assembly, collective behavior, and measurement uncertainty. Recent progress has been made in this area for both self-assembled and nanostructured surfaces due to increasing accessibility of imaging techniques at the nanoscale. In this context, recent advances in nanomaterial surface structure characterization are reviewed including the development of new theory and image processing methods.
Computer-aided system design

NASA Technical Reports Server (NTRS)

Walker, Carrie K.

1991-01-01

A technique has been developed for combining features of a systems architecture design and assessment tool and a software development tool. This technique reduces simulation development time and expands simulation detail. The Architecture Design and Assessment System (ADAS), developed at the Research Triangle Institute, is a set of computer-assisted engineering tools for the design and analysis of computer systems. The ADAS system is based on directed graph concepts and supports the synthesis and analysis of software algorithms mapped to candidate hardware implementations. Greater simulation detail is provided by the ADAS functional simulator. With the functional simulator, programs written in either Ada or C can be used to provide a detailed description of graph nodes. A Computer-Aided Software Engineering tool developed at the Charles Stark Draper Laboratory (CSDL CASE) automatically generates Ada or C code from engineering block diagram specifications designed with an interactive graphical interface. A technique to use the tools together has been developed, which further automates the design process.
Optimization of LDL targeted nanostructured lipid carriers of 5-FU by a full factorial design.

PubMed

Andalib, Sare; Varshosaz, Jaleh; Hassanzadeh, Farshid; Sadeghi, Hojjat

2012-01-01

Nanostructured lipid carriers (NLC) are a mixture of solid and liquid lipids or oils as colloidal carrier systems that lead to an imperfect matrix structure with high ability for loading water soluble drugs. The aim of this study was to find the best proportion of liquid and solid lipids of different types for optimization of the production of LDL targeted NLCs used in carrying 5-Fu by the emulsification-solvent evaporation method. The influence of the lipid type, cholesterol or cholesteryl stearate for targeting LDL receptors, oil type (oleic acid or octanol), lipid and oil% on particle size, surface charge, drug loading efficiency, and drug released percent from the NLCs were studied by a full factorial design. The NLCs prepared by 54.5% cholesterol and 25% of oleic acid, showed optimum results with particle size of 105.8 nm, relatively high zeta potential of -25 mV, drug loading efficiency of 38% and release efficiency of about 40%. Scanning electron microscopy of nanoparticles confirmed the results of dynamic light scattering method used in measuring the particle size of NLCs. The optimization method by a full factorial statistical design is a useful optimization method for production of nanostructured lipid carriers.
Nanomanufacturing : nano-structured materials made layer-by-layer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cox, James V.; Cheng, Shengfeng; Grest, Gary Stephen

Large-scale, high-throughput production of nano-structured materials (i.e. nanomanufacturing) is a strategic area in manufacturing, with markets projected to exceed $1T by 2015. Nanomanufacturing is still in its infancy; process/product developments are costly and only touch on potential opportunities enabled by growing nanoscience discoveries. The greatest promise for high-volume manufacturing lies in age-old coating and imprinting operations. For materials with tailored nm-scale structure, imprinting/embossing must be achieved at high speeds (roll-to-roll) and/or over large areas (batch operation) with feature sizes less than 100 nm. Dispersion coatings with nanoparticles can also tailor structure through self- or directed-assembly. Layering films structured with thesemore » processes have tremendous potential for efficient manufacturing of microelectronics, photovoltaics and other topical nano-structured devices. This project is designed to perform the requisite R and D to bring Sandia's technology base in computational mechanics to bear on this scale-up problem. Project focus is enforced by addressing a promising imprinting process currently being commercialized.« less
Antireflective nanostructures for CPV

NASA Astrophysics Data System (ADS)

Buencuerpo, Jeronimo; Torne, Lorena; Alvaro, Raquel; Llorens, Jose Manuel; Dotor, María Luisa; Ripalda, Jose Maria

2017-09-01

We have optimized a periodic antireflective nanostructure. The optimal design has a theoretical broadband reflectivity of 0.54% on top of GaInP with an AlInP window layer. Preliminary fabrication attempts have been carried out on top of GaAs substrates. Due to the lack of a window layer, and the need to fine tune the fabrication process, the fabricated nanostructures have a reflectivity of 3.1%, but this is already significantly lower than the theoretical broadband reflectance of standard MgF2/ZnS bilayers (4.5%).
Temperature-feedback direct laser reshaping of silicon nanostructures

NASA Astrophysics Data System (ADS)

Aouassa, M.; Mitsai, E.; Syubaev, S.; Pavlov, D.; Zhizhchenko, A.; Jadli, I.; Hassayoun, L.; Zograf, G.; Makarov, S.; Kuchmizhak, A.

2017-12-01

Direct laser reshaping of nanostructures is a cost-effective and fast approach to create or tune various designs for nanophotonics. However, the narrow range of required laser parameters along with the lack of in-situ temperature control during the nanostructure reshaping process limits its reproducibility and performance. Here, we present an approach for direct laser nanostructure reshaping with simultaneous temperature control. We employ thermally sensitive Raman spectroscopy during local laser melting of silicon pillar arrays prepared by self-assembly microsphere lithography. Our approach allows establishing the reshaping threshold of an individual nanostructure, resulting in clean laser processing without overheating of the surrounding area.
Plasmonic Nanostructures for Nano-Scale Bio-Sensing

PubMed Central

Chung, Taerin; Lee, Seung-Yeol; Song, Eui Young; Chun, Honggu; Lee, Byoungho

2011-01-01

The optical properties of various nanostructures have been widely adopted for biological detection, from DNA sequencing to nano-scale single molecule biological function measurements. In particular, by employing localized surface plasmon resonance (LSPR), we can expect distinguished sensing performance with high sensitivity and resolution. This indicates that nano-scale detections can be realized by using the shift of resonance wavelength of LSPR in response to the refractive index change. In this paper, we overview various plasmonic nanostructures as potential sensing components. The qualitative descriptions of plasmonic nanostructures are supported by the physical phenomena such as plasmonic hybridization and Fano resonance. We present guidelines for designing specific nanostructures with regard to wavelength range and target sensing materials. PMID:22346679
Attitudes of Design Students toward Computer Usage in Design

ERIC Educational Resources Information Center

Pektas, Sule Tasli; Erkip, Feyzan

2006-01-01

The success of efforts to integrate technology with design education is largely affected by the attitudes of students toward technology. This paper presents the findings of a research on the attitudes of design students toward the use of computers in design and its correlates. Computer Aided Design (CAD) tools are the most widely used computer…
Enhanced blue responses in nanostructured Si solar cells by shallow doping

NASA Astrophysics Data System (ADS)

Cheon, Sieun; Jeong, Doo Seok; Park, Jong-Keuk; Kim, Won Mok; Lee, Taek Sung; Lee, Heon; Kim, Inho

2018-03-01

Optimally designed Si nanostructures are very effective for light trapping in crystalline silicon (c-Si) solar cells. However, when the lateral feature size of Si nanostructures is comparable to the junction depth of the emitter, dopant diffusion in the lateral direction leads to excessive doping in the nanostructured emitter whereby poor blue responses arise in the external quantum efficiency (EQE). The primary goal of this study is to find the correlation of emitter junction depth and carrier collection efficiency in nanostructured c-Si solar cells in order to enhance the blue responses. We prepared Si nanostructures of nanocone shape by colloidal lithography, with silica beads of 520 nm in diameter, followed by a reactive ion etching process. c-Si solar cells with a standard cell architecture of an Al back surface field were fabricated varying the emitter junction depth. We varied the emitter junction depth by adjusting the doping level from heavy doping to moderate doping to light doping and achieved greatly enhanced blue responses in EQE from 47%-92% at a wavelength of 400 nm. The junction depth analysis by secondary ion mass-spectroscopy profiling and the scanning electron microscopy measurements provided us with the design guide of the doping level depending on the nanostructure feature size for high efficiency nanostructured c-Si solar cells. Optical simulations showed us that Si nanostructures can serve as an optical resonator to amplify the incident light field, which needs to be considered in the design of nanostructured c-Si solar cells.
Addressing the instability of DNA nanostructures in tissue culture.

PubMed

Hahn, Jaeseung; Wickham, Shelley F J; Shih, William M; Perrault, Steven D

2014-09-23

DNA nanotechnology is an advanced technique that could contribute diagnostic, therapeutic, and biomedical research devices to nanomedicine. Although such devices are often developed and demonstrated using in vitro tissue culture models, these conditions may not be compatible with DNA nanostructure integrity and function. The purpose of this study was to characterize the sensitivity of 3D DNA nanostructures produced via the origami method to the in vitro tissue culture environment and identify solutions to prevent loss of nanostructure integrity. We examined whether the physiological cation concentrations of cell culture medium and the nucleases present in fetal bovine serum (FBS) used as a medium supplement result in denaturation and digestion, respectively. DNA nanostructure denaturation due to cation depletion was design- and time-dependent, with one of four tested designs remaining intact after 24 h at 37 °C. Adjustment of medium by addition of MgSO4 prevented denaturation. Digestion of nanostructures by FBS nucleases in Mg(2+)-adjusted medium did not appear design-dependent and became significant within 24 h and when medium was supplemented with greater than 5% FBS. We estimated that medium supplemented with 10% FBS contains greater than 256 U/L equivalent of DNase I activity in digestion of DNA nanostructures. Heat inactivation at 75 °C and inclusion of actin protein in medium inactivated and inhibited nuclease activity, respectively. We examined the impact of medium adjustments on cell growth, viability, and phenotype. Adjustment of Mg(2+) to 6 mM did not appear to have a detrimental impact on cells. Heat inactivation was found to be incompatible with in vitro tissue culture, whereas inclusion of actin had no observable effect on growth and viability. In two in vitro assays, immune cell activation and nanoparticle endocytosis, we show that using conditions compatible with cell phenotype and nanostructure integrity is critical for obtaining reliable
Computer Applications in the Design Process.

ERIC Educational Resources Information Center

Winchip, Susan

Computer Assisted Design (CAD) and Computer Assisted Manufacturing (CAM) are emerging technologies now being used in home economics and interior design applications. A microcomputer in a computer network system is capable of executing computer graphic functions such as three-dimensional modeling, as well as utilizing office automation packages to…
Designing deoxidation inhibiting encapsulation of metal oxide nanostructures for fluidic and biological applications

NASA Astrophysics Data System (ADS)

Ghosh, Moumita; Ghosh, Siddharth; Seibt, Michael; Schaap, Iwan A. T.; Schmidt, Christoph F.; Mohan Rao, G.

2016-12-01

Due to their photoluminescence, metal oxide nanostructures such as ZnO nanostructures are promising candidates in biomedical imaging, drug delivery and bio-sensing. To apply them as label for bio-imaging, it is important to study their structural stability in a bio-fluidic environment. We have explored the effect of water, the main constituent of biological solutions, on ZnO nanostructures with scanning electron microscopy (SEM) and photoluminescence (PL) studies which show ZnO nanorod degeneration in water. In addition, we propose and investigate a robust and inexpensive method to encapsulate these nanostructures (without structural degradation) using bio-compatible non-ionic surfactant in non-aqueous medium, which was not reported earlier. This new finding is an immediate interest to the broad audience of researchers working in biophysics, sensing and actuation, drug delivery, food and cosmetics technology, etc.
Cellular processing and destinies of artificial DNA nanostructures.

PubMed

Lee, Di Sheng; Qian, Hang; Tay, Chor Yong; Leong, David Tai

2016-08-07

Since many bionanotechnologies are targeted at cells, understanding how and where their interactions occur and the subsequent results of these interactions is important. Changing the intrinsic properties of DNA nanostructures and linking them with interactions presents a holistic and powerful strategy for understanding dual nanostructure-biological systems. With the recent advances in DNA nanotechnology, DNA nanostructures present a great opportunity to understand the often convoluted mass of information pertaining to nanoparticle-biological interactions due to the more precise control over their chemistry, sizes, and shapes. Coupling just some of these designs with an understanding of biological processes is both a challenge and a source of opportunities. Despite continuous advances in the field of DNA nanotechnology, the intracellular fate of DNA nanostructures has remained unclear and controversial. Because understanding its cellular processing and destiny is a necessary prelude to any rational design of exciting and innovative bionanotechnology, in this review, we will discuss and provide a comprehensive picture relevant to the intracellular processing and the fate of various DNA nanostructures which have been remained elusive for some time. We will also link the unique capabilities of DNA to some novel ideas for developing next-generation bionanotechnologies.
Mechanical Design Technology--Modified. (Computer Assisted Drafting, Computer Aided Design). Curriculum Grant 84/85.

ERIC Educational Resources Information Center

Schoolcraft Coll., Livonia, MI.

This document is a curriculum guide for a program in mechanical design technology (computer-assisted drafting and design developed at Schoolcraft College, Livonia, Michigan). The program helps students to acquire the skills of drafters and to interact with electronic equipment, with the option of becoming efficient in the computer-aided…
Hybrid silicon–carbon nanostructures for broadband optical absorption

DOE PAGES

Yang, Wen -Hua; Lu, Wen -Cai; Ho, K. M.; ...

2017-01-25

Proper design of nanomaterials for broadband light absorption is a key factor for improving the conversion efficiency of solar cells. Here we present a hybrid design of silicon–carbon nanostructures with silicon clusters coated by carbon cages, i.e., Si m@C 2n for potential solar cell application. The optical properties of these hybrid nanostructures were calculated based on time dependent density function theory (TDDFT). The results show that the optical spectra of Si m@C 2n are very different from those of pure Si m and C 2n clusters. While the absorption spectra of pure carbon cages and Si m clusters exhibit peaksmore » in the UV region, those of the Si m@C 2n nanostructures exhibit a significant red shift. Superposition of the optical spectra of various Si m@C 2n nanostructures forms a broad-band absorption, which extends to the visible light and infrared regions. As a result, the broadband adsorption of the assembled Si m@C 2n nanoclusters may provide a new approach for the design of high efficiency solar cell nanomaterials.« less
Plasmonic nanostructures through DNA-assisted lithography

PubMed Central

Shen, Boxuan; Linko, Veikko; Tapio, Kosti; Pikker, Siim; Lemma, Tibebe; Gopinath, Ashwin; Gothelf, Kurt V.; Kostiainen, Mauri A.; Toppari, J. Jussi

2018-01-01

Programmable self-assembly of nucleic acids enables the fabrication of custom, precise objects with nanoscale dimensions. These structures can be further harnessed as templates to build novel materials such as metallic nanostructures, which are widely used and explored because of their unique optical properties and their potency to serve as components of novel metamaterials. However, approaches to transfer the spatial information of DNA constructions to metal nanostructures remain a challenge. We report a DNA-assisted lithography (DALI) method that combines the structural versatility of DNA origami with conventional lithography techniques to create discrete, well-defined, and entirely metallic nanostructures with designed plasmonic properties. DALI is a parallel, high-throughput fabrication method compatible with transparent substrates, thus providing an additional advantage for optical measurements, and yields structures with a feature size of ~10 nm. We demonstrate its feasibility by producing metal nanostructures with a chiral plasmonic response and bowtie-shaped nanoantennas for surface-enhanced Raman spectroscopy. We envisage that DALI can be generalized to large substrates, which would subsequently enable scale-up production of diverse metallic nanostructures with tailored plasmonic features. PMID:29423446
New Deformation-Induced Nanostructure in Silicon.

PubMed

Wang, Bo; Zhang, Zhenyu; Chang, Keke; Cui, Junfeng; Rosenkranz, Andreas; Yu, Jinhong; Lin, Cheng-Te; Chen, Guoxin; Zang, Ketao; Luo, Jun; Jiang, Nan; Guo, Dongming

2018-06-18

Nanostructures in silicon (Si) induced by phase transformations have been investigated during the past 50 years. Performances of nanostructures are improved compared to that of bulk counterparts. Nevertheless, the confinement and loading conditions are insufficient to machine and fabricate high-performance devices. As a consequence, nanostructures fabricated by nanoscale deformation at loading speeds of m/s have not been demonstrated yet. In this study, grinding or scratching at a speed of 40.2 m/s was performed on a custom-made setup by an especially designed diamond tip (calculated stress under the diamond tip in the order of 5.11 GPa). This leads to a novel approach for the fabrication of nanostructures by nanoscale deformation at loading speeds of m/s. A new deformation-induced nanostructure was observed by transmission electron microscopy (TEM), consisting of an amorphous phase, a new tetragonal phase, slip bands, twinning superlattices, and a single crystal. The formation mechanism of the new phase was elucidated by ab initio simulations at shear stress of about 2.16 GPa. This approach opens a new route for the fabrication of nanostructures by nanoscale deformation at speeds of m/s. Our findings provide new insights for potential applications in transistors, integrated circuits, diodes, solar cells, and energy storage systems.
Computer Aided Design of Computer Generated Holograms for electron beam fabrication

NASA Technical Reports Server (NTRS)

Urquhart, Kristopher S.; Lee, Sing H.; Guest, Clark C.; Feldman, Michael R.; Farhoosh, Hamid

1989-01-01

Computer Aided Design (CAD) systems that have been developed for electrical and mechanical design tasks are also effective tools for the process of designing Computer Generated Holograms (CGHs), particularly when these holograms are to be fabricated using electron beam lithography. CAD workstations provide efficient and convenient means of computing, storing, displaying, and preparing for fabrication many of the features that are common to CGH designs. Experience gained in the process of designing CGHs with various types of encoding methods is presented. Suggestions are made so that future workstations may further accommodate the CGH design process.

Modeling of space environment impact on nanostructured materials. General principles

NASA Astrophysics Data System (ADS)

Voronina, Ekaterina; Novikov, Lev

2016-07-01

In accordance with the resolution of ISO TC20/SC14 WG4/WG6 joint meeting, Technical Specification (TS) 'Modeling of space environment impact on nanostructured materials. General principles' which describes computer simulation methods of space environment impact on nanostructured materials is being prepared. Nanomaterials surpass traditional materials for space applications in many aspects due to their unique properties associated with nanoscale size of their constituents. This superiority in mechanical, thermal, electrical and optical properties will evidently inspire a wide range of applications in the next generation spacecraft intended for the long-term (~15-20 years) operation in near-Earth orbits and the automatic and manned interplanetary missions. Currently, ISO activity on developing standards concerning different issues of nanomaterials manufacturing and applications is high enough. Most such standards are related to production and characterization of nanostructures, however there is no ISO documents concerning nanomaterials behavior in different environmental conditions, including the space environment. The given TS deals with the peculiarities of the space environment impact on nanostructured materials (i.e. materials with structured objects which size in at least one dimension lies within 1-100 nm). The basic purpose of the document is the general description of the methodology of applying computer simulation methods which relate to different space and time scale to modeling processes occurring in nanostructured materials under the space environment impact. This document will emphasize the necessity of applying multiscale simulation approach and present the recommendations for the choice of the most appropriate methods (or a group of methods) for computer modeling of various processes that can occur in nanostructured materials under the influence of different space environment components. In addition, TS includes the description of possible
Designing and Creating Computer-Assisted Instruction.

ERIC Educational Resources Information Center

McMeen, George R.

Designed to encourage the use of a defined methodology and careful planning in creating computer-assisted instructional programs, this paper describes the instructional design process, compares computer-assisted instruction (CAI) and programmed instruction (PI), and discusses pragmatic concerns in computer programming. Topics addressed include:…
Volume accumulator design analysis computer codes

NASA Technical Reports Server (NTRS)

Whitaker, W. D.; Shimazaki, T. T.

1973-01-01

The computer codes, VANEP and VANES, were written and used to aid in the design and performance calculation of the volume accumulator units (VAU) for the 5-kwe reactor thermoelectric system. VANEP computes the VAU design which meets the primary coolant loop VAU volume and pressure performance requirements. VANES computes the performance of the VAU design, determined from the VANEP code, at the conditions of the secondary coolant loop. The codes can also compute the performance characteristics of the VAU's under conditions of possible modes of failure which still permit continued system operation.
Photogrammetry and computer-aided piping design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keneflick, J.F.; Chirillo, R.D.

1985-02-18

Three-dimensional measurements taken from photographs of a plant model can be digitized and linked with computer-aided piping design. This can short-cut the design and construction of new plants and expedite repair and retrofitting projects. Some designers bridge the gap between model and computer by digitizing from orthographic prints obtained via orthography or the laser scanning of model sections. Such valve or fitting then processed is described in this paper. The marriage of photogrammetry and computer-aided piping design can economically produce such numerical drawings.
Multifunctional Carbon Nanostructures for Advanced Energy Storage Applications

PubMed Central

Wang, Yiran; Wei, Huige; Lu, Yang; Wei, Suying; Wujcik, Evan K.; Guo, Zhanhu

2015-01-01

Carbon nanostructures—including graphene, fullerenes, etc.—have found applications in a number of areas synergistically with a number of other materials.These multifunctional carbon nanostructures have recently attracted tremendous interest for energy storage applications due to their large aspect ratios, specific surface areas, and electrical conductivity. This succinct review aims to report on the recent advances in energy storage applications involving these multifunctional carbon nanostructures. The advanced design and testing of multifunctional carbon nanostructures for energy storage applications—specifically, electrochemical capacitors, lithium ion batteries, and fuel cells—are emphasized with comprehensive examples. PMID:28347034
Nanostructured lipid carriers as a potential vehicle for Carvedilol delivery: Application of factorial design approach.

PubMed

Patil, Ganesh B; Patil, Nandkishor D; Deshmukh, Prashant K; Patil, Pravin O; Bari, Sanjay B

2016-01-01

Present invention relates to design of nanostructured lipid carriers (NLC) to augment oral bioavailability of Carvedilol (CAR). In this attempt, formulations of CAR-NLCs were prepared with glyceryl-monostearate (GMS) as a lipid, poloxamer 188 as a surfactant and tween 80 as a co-surfactant using high pressure homogenizer by 2(3) factorial design approach. Formed CAR-NLCs were assessed for various performance parameters. Accelerated stability studies demonstrated negligible change in particle size and entrapment efficiency, after storage at specified time up to 3 months. The promising findings in this investigation suggest the practicability of these systems for enhancement of bioavailability of drugs like CAR.
Optical Design Using Small Dedicated Computers

NASA Astrophysics Data System (ADS)

Sinclair, Douglas C.

1980-09-01

Since the time of the 1975 International Lens Design Conference, we have developed a series of optical design programs for Hewlett-Packard desktop computers. The latest programs in the series, OSLO-25G and OSLO-45G, have most of the capabilities of general-purpose optical design programs, including optimization based on exact ray-trace data. The computational techniques used in the programs are similar to ones used in other programs, but the creative environment experienced by a designer working directly with these small dedicated systems is typically much different from that obtained with shared-computer systems. Some of the differences are due to the psychological factors associated with using a system having zero running cost, while others are due to the design of the program, which emphasizes graphical output and ease of use, as opposed to computational speed.
Spin Dependent Transport Properties of Metallic and Semiconducting Nanostructures

NASA Astrophysics Data System (ADS)

Sapkota, Keshab R.

Present computing and communication devices rely on two different classes of technologies; information processing devices are based on electrical charge transport in semiconducting materials while information storage devices are based on orientation of electron spins in magnetic materials. A realization of a hybrid-type device that is based on charge as well as spin properties of electrons would perform both of these actions thereby enhancing computation power to many folds and reducing power consumptions. This dissertation focuses on the fabrication of such spin-devices based on metallic and semiconducting nanostructures which can utilize spin as well as charge properties of electrons. A simplified design of the spin-device consists of a spin injector, a semiconducting or metallic channel, and a spin detector. The channel is the carrier of the spin signal from the injector to the detector and therefore plays a crucial role in the manipulation of spin properties in the device. In this work, nanostructures like nanowires and nanostripes are used to function the channel in the spin-device. Methods like electrospinning, hydrothermal, and wet chemical were used to synthesize nanowires while physical vapor deposition followed by heat treatment in controlled environment was used to synthesis nanostripes. Spin-devices fabrication of the synthesized nanostructures were carried out by electron beam lithography process. The details of synthesis of nanostructures, device fabrication procedures and measurement techniques will be discussed in the thesis. We have successfully fabricated the spin-devices of tellurium nanowire, indium nanostripe, and indium oxide nanostripe and studied their spin transport properties for the first time. These spin-devices show large spin relaxation length compared to normal metals like copper and offer potentials for the future technologies. Further, Heusler alloys nanowires like nanowires of Co 2FeAl were synthesized and studied for electrical
de novo computational enzyme design.

PubMed

Zanghellini, Alexandre

2014-10-01

Recent advances in systems and synthetic biology as well as metabolic engineering are poised to transform industrial biotechnology by allowing us to design cell factories for the sustainable production of valuable fuels and chemicals. To deliver on their promises, such cell factories, as much as their brick-and-mortar counterparts, will require appropriate catalysts, especially for classes of reactions that are not known to be catalyzed by enzymes in natural organisms. A recently developed methodology, de novo computational enzyme design can be used to create enzymes catalyzing novel reactions. Here we review the different classes of chemical reactions for which active protein catalysts have been designed as well as the results of detailed biochemical and structural characterization studies. We also discuss how combining de novo computational enzyme design with more traditional protein engineering techniques can alleviate the shortcomings of state-of-the-art computational design techniques and create novel enzymes with catalytic proficiencies on par with natural enzymes. Copyright © 2014 Elsevier Ltd. All rights reserved.
Computational protein design with backbone plasticity

PubMed Central

MacDonald, James T.; Freemont, Paul S.

2016-01-01

The computational algorithms used in the design of artificial proteins have become increasingly sophisticated in recent years, producing a series of remarkable successes. The most dramatic of these is the de novo design of artificial enzymes. The majority of these designs have reused naturally occurring protein structures as ‘scaffolds’ onto which novel functionality can be grafted without having to redesign the backbone structure. The incorporation of backbone flexibility into protein design is a much more computationally challenging problem due to the greatly increased search space, but promises to remove the limitations of reusing natural protein scaffolds. In this review, we outline the principles of computational protein design methods and discuss recent efforts to consider backbone plasticity in the design process. PMID:27911735
Nanostructured sensors for biomedical applications--a current perspective.

PubMed

Krishnamoorthy, Sivashankar

2015-08-01

Nanostructured sensors have unique capabilities that can be tailored to advantage in advancing the diagnosis, monitoring and cure of several diseases and health conditions. This report aims at providing a current perspective on, (a) the emerging clinical needs that defines the challenges to be addressed by nanostructured sensors, with specific emphasis on early stage diagnosis, drug-diagnostic combinations, and predictive models to design therapy, (b) the emerging industry trends in in vitro diagnostics, mobile health care, high-throughput molecular and cell-based diagnostic platforms, and (c) recent instances of nanostructured biosensors, including promising sensing concepts that can be enhanced using nanostructures that carry high promise towards catering to the emerging clinical needs, as well as the market/industry trends. Copyright © 2014 Elsevier Ltd. All rights reserved.
Functionalization of DNA Nanostructures for Cell Signaling Applications

NASA Astrophysics Data System (ADS)

Pedersen, Ronnie O.

Transforming growth factor beta (TGF-beta) is an important cytokine responsible for a wide range of different cellular functions including extracellular matrix formation, angiogenesis and epithelial-mesenchymal transition. We have sought to use self-assembling DNA nanostructures to influence TGF-beta signaling. The predictable Watson Crick base pairing allows for designing self-assembling nanoscale structures using oligonucleotides. We have used the method of DNA origami to assemble structures functionalized with multiple peptides that bind TGF-beta receptors outside the ligand binding domain. This allows the nanostructures to cluster TGF-beta receptors and lower the energy barrier of ligand binding thus sensitizing the cells to TGF-beta stimulation. To prove efficacy of our nanostructures we have utilized immunofluorescent staining of Smad2/4 in order to monitor TGF-beta mediated translocation of Smad2/4 to the cell nucleus. We have also utilized Smad2/4 responsive luminescence constructs that allows us to quantify TGF-beta stimulation with and without nanostructures. To functionalize our nanostructures we relied on biotin-streptavidin linkages. This introduces a multivalency that is not necessarily desirable in all designs. Therefore we have investigated alternative means of functionalization. The first approach is based on targeting DNA nanostructure by using zinc finger binding proteins. Efficacy of zinc finger binding proteins was assayed by the use of enzyme-linked immunosorbent (ELISA) assay and atomic force microscopy (AFM). While ELISA indicated a relative specificity of zinc finger proteins for target DNA sequences AFM showed a high degree of non-specific binding and insufficient affinity. The second approach is based on using peptide nucleic acid (PNA) incorporated in the nanostructure through base pairing. PNA is a synthetic DNA analog consisting of a backbone of repeating N-(2-aminoethyl)-glycine units to which purine and pyrimidine bases are linked by
Self-assembled peptide nanostructures for functional materials

NASA Astrophysics Data System (ADS)

Sardan Ekiz, Melis; Cinar, Goksu; Aref Khalily, Mohammad; Guler, Mustafa O.

2016-10-01

Nature is an important inspirational source for scientists, and presents complex and elegant examples of adaptive and intelligent systems created by self-assembly. Significant effort has been devoted to understanding these sophisticated systems. The self-assembly process enables us to create supramolecular nanostructures with high order and complexity, and peptide-based self-assembling building blocks can serve as suitable platforms to construct nanostructures showing diverse features and applications. In this review, peptide-based supramolecular assemblies will be discussed in terms of their synthesis, design, characterization and application. Peptide nanostructures are categorized based on their chemical and physical properties and will be examined by rationalizing the influence of peptide design on the resulting morphology and the methods employed to characterize these high order complex systems. Moreover, the application of self-assembled peptide nanomaterials as functional materials in information technologies and environmental sciences will be reviewed by providing examples from recently published high-impact studies.
Can the Computer Design a School Building?

ERIC Educational Resources Information Center

Roberts, Charles

The implications of computer technology and architecture are discussed with reference to school building design. A brief introduction is given of computer applications in other fields leading to the conclusions that computers alone cannot design school buildings but may serve as a useful tool in the overall design process. Specific examples are…
Design of a modular digital computer system DRL 4 and 5. [design of airborne/spaceborne computer system

NASA Technical Reports Server (NTRS)

1973-01-01

Design and development efforts for a spaceborne modular computer system are reported. An initial baseline description is followed by an interface design that includes definition of the overall system response to all classes of failure. Final versions for the register level designs for all module types were completed. Packaging, support and control executive software, including memory utilization estimates and design verification plan, were formalized to insure a soundly integrated design of the digital computer system.
Biomimetic gyroid nanostructures exceeding their natural origins.

PubMed

Gan, Zongsong; Turner, Mark D; Gu, Min

2016-05-01

Using optical two-beam lithography with improved resolution and enhanced mechanical strength, we demonstrate the replication of gyroid photonic nanostructures found in the butterfly Callophrys rubi. These artificial structures are shown to have size, controllability, and uniformity that are superior to those of their biological counterparts. In particular, the elastic Young's modulus of fabricated nanowires is enhanced by up to 20%. As such, the circular dichroism enabled by the gyroid nanostructures can operate in the near-ultraviolet wavelength region, shorter than that supported by the natural butterfly wings of C. rubi. This fabrication technique provides a unique tool for extracting three-dimensional photonic designs from nature and will aid the investigation of biomimetic nanostructures.
Biomimetic gyroid nanostructures exceeding their natural origins

PubMed Central

Gan, Zongsong; Turner, Mark D.; Gu, Min

2016-01-01

Using optical two-beam lithography with improved resolution and enhanced mechanical strength, we demonstrate the replication of gyroid photonic nanostructures found in the butterfly Callophrys rubi. These artificial structures are shown to have size, controllability, and uniformity that are superior to those of their biological counterparts. In particular, the elastic Young’s modulus of fabricated nanowires is enhanced by up to 20%. As such, the circular dichroism enabled by the gyroid nanostructures can operate in the near-ultraviolet wavelength region, shorter than that supported by the natural butterfly wings of C. rubi. This fabrication technique provides a unique tool for extracting three-dimensional photonic designs from nature and will aid the investigation of biomimetic nanostructures. PMID:27386542
Investigation of Transport Parameters of Graphene-Based Nanostructures

NASA Astrophysics Data System (ADS)

Sergeyev, D. M.; Shunkeyev, K. Sh.

2018-03-01

The paper presents results of computer simulation of the main transport parameters of nanostructures obtained through the row-by-row removal of carbon atoms from graphene ribbon. Research into the electrical parameters is carried out within the density functional theory using the non-equilibrium Green functions in the local-density approximation. Virtual NanoLab based on Atomistix ToolKit is used to construct structures and analyze simulation results. Current-voltage characteristics, differential conductivity and transmittance spectra of nanostructures are calculated at different values of bias voltage. It is found that there is a large region of negative differential resistance in current-voltage characteristics of nanostructures caused by resonant tunneling of quasi-particles. Differential (dI/dV) characteristic also has similar changes. The obtained results can be useful for building novel electronic devices in the field of nanoelectronics.
Giant magnetic anisotropy of heavy p-elements on high-symmetry substrates: a new paradigm for supported nanostructures

NASA Astrophysics Data System (ADS)

Pang, Rui; Deng, Bei; Shi, Xingqiang; Zheng, Xiaohong

2018-04-01

Nanostructures with giant magnetic anisotropy energies (MAEs) are desired in designing miniaturized magnetic storage and quantum computing devices. Previous works focused mainly on materials or elements with d electrons. Here, by taking Bi–X(X = In, Tl, Ge, Sn, Pb) adsorbed on nitrogenized divacancy of graphene and Bi atoms adsorbed on MgO(100) as examples, through ab initio and model calculations, we propose that special p-element dimers and single-adatoms on symmetry-matched substrates possess giant atomic MAEs of 72–200 meV, and has room temperature structural stability. The huge MAEs originate from the p-orbital degeneracy around the Fermi level in a symmetry-matched surface ligand field and the lifting of this degeneracy when spin–orbit interaction (SOI) is taken into account. Especially, we developed a simplified quantum mechanical model for the design principles of giant MAEs of supported magnetic adatoms and dimers. Thus, our discoveries and mechanisms provide a new paradigm to design giant atomic MAE of p electrons in supported nanostructures.
Uncovering the self-assembly of DNA nanostructures by thermodynamics and kinetics.

PubMed

Wei, Xixi; Nangreave, Jeanette; Liu, Yan

2014-06-17

CONSPECTUS: DNA nanotechnology is one of the most flourishing interdisciplinary research fields. DNA nanostructures can be designed to self-assemble into a variety of periodic or aperiodic patterns of different shapes and length scales. They can be used as scaffolds for organizing other nanoparticles, proteins, and chemical groups, leveraging their functions for creating complex bioinspired materials that may serve as smart drug delivery systems, in vitro or in vivo biomolecular computing platforms, and diagnostic devices. Achieving optimal structural features, efficient assembly protocols, and precise functional group positioning and modification requires a thorough understanding of the thermodynamics and kinetics of the DNA nanostructure self-assembly process. The most common real-time measurement strategies include monitoring changes in UV absorbance based on the hyperchromic effect of DNA, and the emission signal changes of DNA intercalating dyes or covalently conjugated fluorescent dyes/pairs that accompany temperature dependent structural changes. Thermodynamic studies of a variety of DNA nanostructures have been performed, from simple double stranded DNA formation to more complex origami assembly. The key parameters that have been evaluated in terms of stability and cooperativity include the overall dimensions, the folding path of the scaffold, crossover and nick point arrangement, length and sequence of single strands, and salt and ion concentrations. DNA tile-tile interactions through sticky end hybridization have also been analyzed, and the steric inhibition and rigidity of tiles turn out to be important factors. Many kinetic studies have also been reported, and most are based on double stranded DNA formation. A two-state assumption and the hypothesis of several intermediate states have been applied to determine the rate constant and activation energy of the DNA hybridization process. A few simulated models were proposed to represent the structural

Computational Nanotechnology Program

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1997-01-01

The objectives are: (1) development of methodological and computational tool for the quantum chemistry study of carbon nanostructures and (2) development of the fundamental understanding of the bonding, reactivity, and electronic structure of carbon nanostructures. Our calculations have continued to play a central role in understanding the outcome of the carbon nanotube macroscopic production experiment. The calculations on buckyonions offer the resolution of a long controversy between experiment and theory. Our new tight binding method offers increased speed for realistic simulations of large carbon nanostructures.
Computer-Aided Drug Design in Epigenetics

NASA Astrophysics Data System (ADS)

Lu, Wenchao; Zhang, Rukang; Jiang, Hao; Zhang, Huimin; Luo, Cheng

2018-03-01

Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field.
Computer-Aided Drug Design in Epigenetics

PubMed Central

Lu, Wenchao; Zhang, Rukang; Jiang, Hao; Zhang, Huimin; Luo, Cheng

2018-01-01

Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation, and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field. PMID:29594101
Magnetic nanostructuring and overcoming Brown's paradox to realize extraordinary high-temperature energy products

NASA Astrophysics Data System (ADS)

Balasubramanian, Balamurugan; Mukherjee, Pinaki; Skomski, Ralph; Manchanda, Priyanka; Das, Bhaskar; Sellmyer, David J.

2014-09-01

Nanoscience has been one of the outstanding driving forces in technology recently, arguably more so in magnetism than in any other branch of science and technology. Due to nanoscale bit size, a single computer hard disk is now able to store the text of 3,000,000 average-size books, and today's high-performance permanent magnets--found in hybrid cars, wind turbines, and disk drives--are nanostructured to a large degree. The nanostructures ideally are designed from Co- and Fe-rich building blocks without critical rare-earth elements, and often are required to exhibit high coercivity and magnetization at elevated temperatures of typically up to 180 °C for many important permanent-magnet applications. Here we achieve this goal in exchange-coupled hard-soft composite films by effective nanostructuring of high-anisotropy HfCo7 nanoparticles with a high-magnetization Fe65Co35 phase. An analysis based on a model structure shows that the soft-phase addition improves the performance of the hard-magnetic material by mitigating Brown's paradox in magnetism, a substantial reduction of coercivity from the anisotropy field. The nanostructures exhibit a high room-temperature energy product of about 20.3 MGOe (161.5 kJ/m3), which is a record for a rare earth- or Pt-free magnetic material and retain values as high as 17.1 MGOe (136.1 kJ/m3) at 180°C.
Computational Ion Optics Design Evaluations

NASA Technical Reports Server (NTRS)

Malone, Shane P.; Soulas, George C.

2004-01-01

Ion optics computational models are invaluable tools in the design of ion optics systems. In this study a new computational model developed by an outside vendor for use at the NASA Glenn Research Center (GRC) is presented. This computational model is a gun code that has been modified to model the plasma sheaths both upstream and downstream of the ion optics. The model handles multiple species (e.g. singly and doubly-charged ions) and includes a charge-exchange model to support erosion estimations. The model uses commercially developed solid design and meshing software to allow high flexibility in ion optics geometric configurations. The results from this computational model are applied to the NEXT project to investigate the effects of crossover impingement erosion seen during the 2000-hour wear test.
Broadband angle-independent antireflection coatings on nanostructured light trapping solar cells

NASA Astrophysics Data System (ADS)

Vázquez-Guardado, Abraham; Boroumand, Javaneh; Franklin, Daniel; Chanda, Debashis

2018-03-01

Backscattering from nanostructured surfaces greatly diminishes the efficacy of light trapping solar cells. While the analytical design of broadband, angle-independent antireflection coatings on nanostructured surfaces proved inefficient, numerical optimization proves a viable alternative. Here, we numerically design and experimentally verify the performance of single and bilayer antireflection coatings on a 2D hexagonal diffractive light trapping pattern on crystalline silicon substrates. Three well-known antireflection coatings, aluminum oxide, silicon nitride, and silicon oxide, which also double as high-quality surface passivation materials, are studied in the 400-1000 nm band. By varying thickness and conformity, the optimal parameters that minimize the broadband total reflectance (specular and scattering) from the nanostructured surface are obtained. The design results in a single-layer antireflection coating with normal-angle wavelength-integrated reflectance below 4% and a bilayer antireflection coating demonstrating reflection down to 1.5%. We show experimentally an angle-averaged reflectance of ˜5.2 % up to 60° incident angle from the optimized bilayer antireflection-coated nanostructured surface, paving the path toward practical implementation of the light trapping solar cells.
Integration of Nanostructures into Microsensor Devices on Whole Wafers

NASA Technical Reports Server (NTRS)

Biaggi-Labiosa, Azlin M.; Evans, Laura J.; Berger, Gordon M.; Hunter, Gary W.

2015-01-01

Chemical sensors are used in a wide variety of applications, such as environmental monitoring, fire detection, emission monitoring, and health monitoring. The fabrication of chemical sensors involving nanostructured materials holds the potential for the development of sensor systems with unique properties and improved performance. However, the fabrication and processing of nanostructures for sensor applications currently are limited in the ability to control their location on the sensor, which in turn hinders the progress for batch fabrication. This report discusses the advantages of using nanomaterials in sensor designs, some of the challenges encountered with the integration of nanostructures into microsensor / devices, and then briefly describes different methods attempted by other groups to address this issue. Finally, this report will describe how our approach for the controlled alignment of nanostructures onto a sensor platform was applied to demonstrate an approach for the mass production of sensors with nanostructures.
Computational Design of DNA-Binding Proteins.

PubMed

Thyme, Summer; Song, Yifan

2016-01-01

Predicting the outcome of engineered and naturally occurring sequence perturbations to protein-DNA interfaces requires accurate computational modeling technologies. It has been well established that computational design to accommodate small numbers of DNA target site substitutions is possible. This chapter details the basic method of design used in the Rosetta macromolecular modeling program that has been successfully used to modulate the specificity of DNA-binding proteins. More recently, combining computational design and directed evolution has become a common approach for increasing the success rate of protein engineering projects. The power of such high-throughput screening depends on computational methods producing multiple potential solutions. Therefore, this chapter describes several protocols for increasing the diversity of designed output. Lastly, we describe an approach for building comparative models of protein-DNA complexes in order to utilize information from homologous sequences. These models can be used to explore how nature modulates specificity of protein-DNA interfaces and potentially can even be used as starting templates for further engineering.
Generative Representations for Computer-Automated Design Systems

NASA Technical Reports Server (NTRS)

Hornby, Gregory S.

2004-01-01

With the increasing computational power of Computers, software design systems are progressing from being tools for architects and designers to express their ideas to tools capable of creating designs under human guidance. One of the main limitations for these computer-automated design programs is the representation with which they encode designs. If the representation cannot encode a certain design, then the design program cannot produce it. Similarly, a poor representation makes some types of designs extremely unlikely to be created. Here we define generative representations as those representations which can create and reuse organizational units within a design and argue that reuse is necessary for design systems to scale to more complex and interesting designs. To support our argument we describe GENRE, an evolutionary design program that uses both a generative and a non-generative representation, and compare the results of evolving designs with both types of representations.
Maximum projection designs for computer experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joseph, V. Roshan; Gul, Evren; Ba, Shan

Space-filling properties are important in designing computer experiments. The traditional maximin and minimax distance designs only consider space-filling in the full dimensional space. This can result in poor projections onto lower dimensional spaces, which is undesirable when only a few factors are active. Restricting maximin distance design to the class of Latin hypercubes can improve one-dimensional projections, but cannot guarantee good space-filling properties in larger subspaces. We propose designs that maximize space-filling properties on projections to all subsets of factors. We call our designs maximum projection designs. As a result, our design criterion can be computed at a cost nomore » more than a design criterion that ignores projection properties.« less
Maximum projection designs for computer experiments

DOE PAGES

Joseph, V. Roshan; Gul, Evren; Ba, Shan

2015-03-18

Space-filling properties are important in designing computer experiments. The traditional maximin and minimax distance designs only consider space-filling in the full dimensional space. This can result in poor projections onto lower dimensional spaces, which is undesirable when only a few factors are active. Restricting maximin distance design to the class of Latin hypercubes can improve one-dimensional projections, but cannot guarantee good space-filling properties in larger subspaces. We propose designs that maximize space-filling properties on projections to all subsets of factors. We call our designs maximum projection designs. As a result, our design criterion can be computed at a cost nomore » more than a design criterion that ignores projection properties.« less
Office ergonomics: deficiencies in computer workstation design.

PubMed

Shikdar, Ashraf A; Al-Kindi, Mahmoud A

2007-01-01

The objective of this research was to study and identify ergonomic deficiencies in computer workstation design in typical offices. Physical measurements and a questionnaire were used to study 40 workstations. Major ergonomic deficiencies were found in physical design and layout of the workstations, employee postures, work practices, and training. The consequences in terms of user health and other problems were significant. Forty-five percent of the employees used nonadjustable chairs, 48% of computers faced windows, 90% of the employees used computers more than 4 hrs/day, 45% of the employees adopted bent and unsupported back postures, and 20% used office tables for computers. Major problems reported were eyestrain (58%), shoulder pain (45%), back pain (43%), arm pain (35%), wrist pain (30%), and neck pain (30%). These results indicated serious ergonomic deficiencies in office computer workstation design, layout, and usage. Strategies to reduce or eliminate ergonomic deficiencies in computer workstation design were suggested.
Interactive graphical computer-aided design system

NASA Technical Reports Server (NTRS)

Edge, T. M.

1975-01-01

System is used for design, layout, and modification of large-scale-integrated (LSI) metal-oxide semiconductor (MOS) arrays. System is structured around small computer which provides real-time support for graphics storage display unit with keyboard, slave display unit, hard copy unit, and graphics tablet for designer/computer interface.
Integrated computer-aided design using minicomputers

NASA Technical Reports Server (NTRS)

Storaasli, O. O.

1980-01-01

Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.
Fixed Full Arches Supported by Tapered Implants with Knife-Edge Thread Design and Nanostructured, Calcium-Incorporated Surface: A Short-Term Prospective Clinical Study

PubMed Central

Bechara, Soheil; Lukosiunas, Algirdas; Kubilius, Ricardas

2017-01-01

Purpose. To evaluate implant survival, peri-implant bone loss, and complications affecting fixed full-arch (FFA) restorations supported by implants with a knife-edge thread design and nanostructured, calcium-incorporated surface. Methods. Between January 2013 and December 2015, all patients referred for implant-supported FFA restorations were considered for enrollment in this study. All patients received implants with a knife-edge thread design and nanostructured calcium-incorporated surface (Anyridge®, Megagen, South Korea) were restored with FFA restorations and enrolled in a recall program. The final outcomes were implant survival, peri-implant bone loss, biologic/prosthetic complications, and “complication-free” survival of restorations. Results. Twenty-four patients were selected. Overall, 215 implants were inserted (130 maxilla, 85 mandible), 144 in extraction sockets and 71 in healed ridges. Thirty-six FFAs were delivered (21 maxilla, 15 mandible): 27 were immediately loaded and 9 were conventionally loaded. The follow-up ranged from 1 to 3 years. Two fixtures failed, yielding an implant survival rate of 95.9% (patient-based). A few complications were registered, for a “complication-free” survival of restorations of 88.9%. Conclusions. FFA restorations supported by implants with a knife-edge thread design and nanostructured, calcium-incorporated surface are successful in the short term, with high survival and low complication rates; long-term studies are needed to confirm these outcomes. PMID:28246595
Design and analysis of sustainable computer mouse using design for disassembly methodology

NASA Astrophysics Data System (ADS)

Roni Sahroni, Taufik; Fitri Sukarman, Ahmad; Agung Mahardini, Karunia

2017-12-01

This paper presents the design and analysis of computer mouse using Design for Disassembly methodology. Basically, the existing computer mouse model consist a number of unnecessary part that cause the assembly and disassembly time in production. The objective of this project is to design a new computer mouse based on Design for Disassembly (DFD) methodology. The main methodology of this paper was proposed from sketch generation, concept selection, and concept scoring. Based on the design screening, design concept B was selected for further analysis. New design of computer mouse is proposed using fastening system. Furthermore, three materials of ABS, Polycarbonate, and PE high density were prepared to determine the environmental impact category. Sustainable analysis was conducted using software SolidWorks. As a result, PE High Density gives the lowers amount in the environmental category with great maximum stress value.
Current Advances in Lanthanide‐Doped Upconversion Nanostructures for Detection and Bioapplication

PubMed Central

Chen, Cailing

2016-01-01

Along with the development of science and technology, lanthanide‐doped upconversion nanostructures as a new type of materials have taken their place in the field of nanomaterials. Upconversion luminescence is a nonlinear optical phenomenon, which absorbs two or more photons and emits one photon. Compared with traditional luminescence materials, upconversion nanostructures have many advantages, such as weak background interference, long lifetime, low excitation energy, and strong tissue penetration. These interesting nanostructures can be applied in anticounterfeit, solar cell, detection, bioimaging, therapy, and so on. This review is focused on the current advances in lanthanide‐doped upconversion nanostructures, covering not only basic luminescence mechanism, synthesis, and modification methods but also the design and fabrication of upconversion nanostructures, like core–shell nanoparticles or nanocomposites. At last, this review emphasizes the application of upconversion nanostructure in detection and bioimaging and therapy. Learning more about the advances of upconversion nanostructures can help us better exploit their excellent performance and use them in practice. PMID:27840794
Space-filling designs for computer experiments: A review

DOE PAGES

Joseph, V. Roshan

2016-01-29

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less
Space-filling designs for computer experiments: A review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joseph, V. Roshan

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less
Computer Designed Instruction & Testing.

ERIC Educational Resources Information Center

New Mexico State Univ., Las Cruces.

Research findings on computer designed instruction and testing at the college level are discussed in 13 papers from the first Regional Conference on University Teaching at New Mexico State University. Titles and authors are as follows: "Don't Bother Me with Instructional Design, I'm Busy Programming! Suggestions for More Effective Educational…

Spaceborne computer executive routine functional design specification. Volume 2: Computer executive design for space station/base

NASA Technical Reports Server (NTRS)

Kennedy, J. R.; Fitzpatrick, W. S.

1971-01-01

The computer executive functional system design concepts derived from study of the Space Station/Base are presented. Information Management System hardware configuration as directly influencing the executive design is reviewed. The hardware configuration and generic executive design requirements are considered in detail in a previous report (System Configuration and Executive Requirements Specifications for Reusable Shuttle and Space Station/Base, 9/25/70). This report defines basic system primitives and delineates processes and process control. Supervisor states are considered for describing basic multiprogramming and multiprocessing systems. A high-level computer executive including control of scheduling, allocation of resources, system interactions, and real-time supervisory functions is defined. The description is oriented to provide a baseline for a functional simulation of the computer executive system.
Computer aided flexible envelope designs

NASA Technical Reports Server (NTRS)

Resch, R. D.

1975-01-01

Computer aided design methods are presented for the design and construction of strong, lightweight structures which require complex and precise geometric definition. The first, flexible structures, is a unique system of modeling folded plate structures and space frames. It is possible to continuously vary the geometry of a space frame to produce large, clear spans with curvature. The second method deals with developable surfaces, where both folding and bending are explored with the observed constraint of available building materials, and what minimal distortion result in maximum design capability. Alternative inexpensive fabrication techniques are being developed to achieve computer defined enclosures which are extremely lightweight and mathematically highly precise.
Generative Representations for Computer-Automated Evolutionary Design

NASA Technical Reports Server (NTRS)

Hornby, Gregory S.

2006-01-01

With the increasing computational power of computers, software design systems are progressing from being tools for architects and designers to express their ideas to tools capable of creating designs under human guidance. One of the main limitations for these computer-automated design systems is the representation with which they encode designs. If the representation cannot encode a certain design, then the design system cannot produce it. To be able to produce new types of designs, and not just optimize pre-defined parameterizations, evolutionary design systems must use generative representations. Generative representations are assembly procedures, or algorithms, for constructing a design thereby allowing for truly novel design solutions to be encoded. In addition, by enabling modularity, regularity and hierarchy, the level of sophistication that can be evolved is increased. We demonstrate the advantages of generative representations on two different design domains: the evolution of spacecraft antennas and the evolution of 3D objects.
In Vitro Selection of pH-Activated DNA Nanostructures.

PubMed

Fong, Faye Yi; Oh, Seung Soo; Hawker, Craig J; Soh, H Tom

2016-12-05

We report the first in vitro selection of DNA nanostructures that switch their conformation when triggered by change in pH. Previously, most pH-active nanostructures were designed using known pH-active motifs, such as the i-motif or the triplex structure. In contrast, we performed de novo selections starting from a random library and generated nanostructures that can sequester and release Mipomersen, a clinically approved antisense DNA drug, in response to pH change. We demonstrate extraordinary pH-selectivity, releasing up to 714-fold more Mipomersen at pH 5.2 compared to pH 7.5. Interestingly, none of our nanostructures showed significant sequence similarity to known pH-sensitive motifs, suggesting that they may operate via novel structure-switching mechanisms. We believe our selection scheme is general and could be adopted for generating DNA nanostructures for many applications including drug delivery, sensors and pH-active surfaces. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Superhydrophilic nanostructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mao, Samuel S; Zormpa, Vasileia; Chen, Xiaobo

2015-05-12

An embodiment of a superhydrophilic nanostructure includes nanoparticles. The nanoparticles are formed into porous clusters. The porous clusters are formed into aggregate clusters. An embodiment of an article of manufacture includes the superhydrophilic nanostructure on a substrate. An embodiment of a method of fabricating a superhydrophilic nanostructure includes applying a solution that includes nanoparticles to a substrate. The substrate is heated to form aggregate clusters of porous clusters of the nanoparticles.
Computational Aerothermodynamic Design Issues for Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.; Weilmuenster, K. James; Hamilton, H. Harris, II; Olynick, David R.; Venkatapathy, Ethiraj

2005-01-01

A brief review of the evolutionary progress in computational aerothermodynamics is presented. The current status of computational aerothermodynamics is then discussed, with emphasis on its capabilities and limitations for contributions to the design process of hypersonic vehicles. Some topics to be highlighted include: (1) aerodynamic coefficient predictions with emphasis on high temperature gas effects; (2) surface heating and temperature predictions for thermal protection system (TPS) design in a high temperature, thermochemical nonequilibrium environment; (3) methods for extracting and extending computational fluid dynamic (CFD) solutions for efficient utilization by all members of a multidisciplinary design team; (4) physical models; (5) validation process and error estimation; and (6) gridding and solution generation strategies. Recent experiences in the design of X-33 will be featured. Computational aerothermodynamic contributions to Mars Path finder, METEOR, and Stardust (Comet Sample return) will also provide context for this discussion. Some of the barriers that currently limit computational aerothermodynamics to a predominantly reactive mode in the design process will also be discussed, with the goal of providing focus for future research.
Computational Aerothermodynamic Design Issues for Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Olynick, David R.; Venkatapathy, Ethiraj

2004-01-01

A brief review of the evolutionary progress in computational aerothermodynamics is presented. The current status of computational aerothermodynamics is then discussed, with emphasis on its capabilities and limitations for contributions to the design process of hypersonic vehicles. Some topics to be highlighted include: (1) aerodynamic coefficient predictions with emphasis on high temperature gas effects; (2) surface heating and temperature predictions for thermal protection system (TPS) design in a high temperature, thermochemical nonequilibrium environment; (3) methods for extracting and extending computational fluid dynamic (CFD) solutions for efficient utilization by all members of a multidisciplinary design team; (4) physical models; (5) validation process and error estimation; and (6) gridding and solution generation strategies. Recent experiences in the design of X-33 will be featured. Computational aerothermodynamic contributions to Mars Pathfinder, METEOR, and Stardust (Comet Sample return) will also provide context for this discussion. Some of the barriers that currently limit computational aerothermodynamics to a predominantly reactive mode in the design process will also be discussed, with the goal of providing focus for future research.
Computational Aerothermodynamic Design Issues for Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.; Weilmuenster, K. James; Hamilton, H. Harris, II; Olynick, David R.; Venkatapathy, Ethiraj

1997-01-01

A brief review of the evolutionary progress in computational aerothermodynamics is presented. The current status of computational aerothermodynamics is then discussed, with emphasis on its capabilities and limitations for contributions to the design process of hypersonic vehicles. Some topics to be highlighted include: (1) aerodynamic coefficient predictions with emphasis on high temperature gas effects; (2) surface heating and temperature predictions for thermal protection system (TPS) design in a high temperature, thermochemical nonequilibrium environment; (3) methods for extracting and extending computational fluid dynamic (CFD) solutions for efficient utilization by all members of a multidisciplinary design team; (4) physical models; (5) validation process and error estimation; and (6) gridding and solution generation strategies. Recent experiences in the design of X-33 will be featured. Computational aerothermodynamic contributions to Mars Pathfinder, METEOR, and Stardust (Comet Sample return) will also provide context for this discussion. Some of the barriers that currently limit computational aerothermodynamics to a predominantly reactive mode in the design process will also be discussed, with the goal of providing focus for future research.
Spatially-Interactive Biomolecular Networks Organized by Nucleic Acid Nanostructures

PubMed Central

Fu, Jinglin; Liu, Minghui; Liu, Yan; Yan, Hao

2013-01-01

Conspectus Living systems have evolved a variety of nanostructures to control the molecular interactions that mediate many functions including the recognition of targets by receptors, the binding of enzymes to substrates, and the regulation of enzymatic activity. Mimicking these structures outside of the cell requires methods that offer nanoscale control over the organization of individual network components. Advances in DNA nanotechnology have enabled the design and fabrication of sophisticated one-, two- and three-dimensional (1D, 2D and 3D) nanostructures that utilize spontaneous and sequence specific DNA hybridization. Compared to other self-assembling biopolymers, DNA nanostructures offer predictable and programmable interactions, and surface features to which other nanoparticles and bio-molecules can be precisely positioned. The ability to control the spatial arrangement of the components while constructing highly-organized networks will lead to various applications of these systems. For example, DNA nanoarrays with surface displays of molecular probes can sense noncovalent hybridization interactions with DNA, RNA, and proteins and covalent chemical reactions. DNA nanostructures can also align external molecules into well-defined arrays, which may improve the resolution of many structural determination methods, such as X-ray diffraction, cryo-EM, NMR, and super-resolution fluorescence. Moreover, by constraining target entities to specific conformations, self-assembled DNA nanostructures can serve as molecular rulers to evaluate conformation-dependent activities. This Account describes the most recent advances in the DNA nanostructure directed assembly of biomolecular networks and explores the possibility of applying this technology to other fields of study. Recently, several reports have demonstrated the DNA nanostructure directed assembly of spatially-interactive biomolecular networks. For example, researchers have constructed synthetic multi-enzyme cascades
Metal nanostructures for non-enzymatic glucose sensing.

PubMed

Tee, Si Yin; Teng, Choon Peng; Ye, Enyi

2017-01-01

This review covers the recent development of metal nanostructures in electrochemical non-enzymatic glucose sensing. It highlights a variety of nanostructured materials including noble metals, other transition metals, bimetallic systems, and their hybrid with carbon-based nanomaterials. Particularly, attention is devoted to numerous approaches that have been implemented for improving the sensors performance by tailoring size, shape, composition, effective surface area, adsorption capability and electron-transfer properties. The correlation of the metal nanostructures to the glucose sensing performance is addressed with respect to the linear concentration range, sensitivity and detection limit. In overall, this review provides important clues from the recent scientific achievements of glucose sensor nanomaterials which will be essentially useful in designing better and more effective electrocatalysts for future electrochemical sensing industry. Copyright © 2016 Elsevier B.V. All rights reserved.
Design geometry and design/off-design performance computer codes for compressors and turbines

NASA Technical Reports Server (NTRS)

Glassman, Arthur J.

1995-01-01

This report summarizes some NASA Lewis (i.e., government owned) computer codes capable of being used for airbreathing propulsion system studies to determine the design geometry and to predict the design/off-design performance of compressors and turbines. These are not CFD codes; velocity-diagram energy and continuity computations are performed fore and aft of the blade rows using meanline, spanline, or streamline analyses. Losses are provided by empirical methods. Both axial-flow and radial-flow configurations are included.
Magneto-optical Phase Transition in a Nanostructured Co/Pd Thin Film

NASA Astrophysics Data System (ADS)

Nwokoye, Chidubem; Bennett, Lawrence; Della Torre, Edward; Siddique, Abid; Zhang, Ming; Wagner, Michael; Narducci, Frank

Interest in the study of magnetism in nanostructures at low temperatures is growing. We report work that extends the magnetics experiments in that studied Bose-Einstein Condensation (BEC) of magnons in confined nanostructures. We report experimental investigation of the magneto-optical properties, influenced by photon-magnon interactions, of a Co/Pd thin film below and above the magnon BEC temperature. Comparison of results from SQUID and MOKE experiments revealed a phase transition temperature in both magnetic and magneto-optical properties of the material that is attributed to the magnon BEC. Recent research in magnonics has provided a realization scheme for developing magnon BEC qubit gates for a quantum computing processor. Future research work will explore this technology and find ways to apply quantum computing to address some computational challenges in communication systems. We recognize financial support from the Naval Air Systems Command Section 219 grant.
Nanostructured Ion-Exchange Membranes for Fuel Cells: Recent Advances and Perspectives.

PubMed

He, Guangwei; Li, Zhen; Zhao, Jing; Wang, Shaofei; Wu, Hong; Guiver, Michael D; Jiang, Zhongyi

2015-09-23

Polymer-based materials with tunable nanoscale structures and associated microenvironments hold great promise as next-generation ion-exchange membranes (IEMs) for acid or alkaline fuel cells. Understanding the relationships between nanostructure, physical and chemical microenvironment, and ion-transport properties are critical to the rational design and development of IEMs. These matters are addressed here by discussing representative and important advances since 2011, with particular emphasis on aromatic-polymer-based nanostructured IEMs, which are broadly divided into nanostructured polymer membranes and nanostructured polymer-filler composite membranes. For each category of membrane, the core factors that influence the physical and chemical microenvironments of the ion nanochannels are summarized. In addition, a brief perspective on the possible future directions of nanostructured IEMs is presented. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Polymer adsorption-driven self-assembly of nanostructures.

PubMed

Chakraborty, A K; Golumbfskie, A J

2001-01-01

Driven by prospective applications, there is much interest in developing materials that can perform specific functions in response to external conditions. One way to design such materials is to create systems which, in response to external inputs, can self-assemble to form structures that are functionally useful. This review focuses on the principles that can be employed to design macromolecules that when presented with an appropriate two-dimensional surface, will self-assemble to form nanostructures that may be functionally useful. We discuss three specific examples: (a) biomimetic recognition between polymers and patterned surfaces. (b) control and manipulation of nanomechanical motion generated by biopolymer adsorption and binding, and (c) creation of patterned nanostructuctures by exposing molten diblock copolymers to patterned surfaces. The discussion serves to illustrate how polymer sequence can be manipulated to affect self-assembly characteristics near adsorbing surfaces. The focus of this review is on theoretical and computational work aimed toward elucidating the principles underlying the phenomena pertinent to the three topics noted above. However, synergistic experiments are also described in the appropriate context.
A surface curvature oscillation model for vapour-liquid-solid growth of periodic one-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Wang, Hui; Wang, Jian-Tao; Cao, Ze-Xian; Zhang, Wen-Jun; Lee, Chun-Sing; Lee, Shuit-Tong; Zhang, Xiao-Hong

2015-03-01

While the vapour-liquid-solid process has been widely used for growing one-dimensional nanostructures, quantitative understanding of the process is still far from adequate. For example, the origins for the growth of periodic one-dimensional nanostructures are not fully understood. Here we observe that morphologies in a wide range of periodic one-dimensional nanostructures can be described by two quantitative relationships: first, inverse of the periodic spacing along the length direction follows an arithmetic sequence; second, the periodic spacing in the growth direction varies linearly with the diameter of the nanostructure. We further find that these geometric relationships can be explained by considering the surface curvature oscillation of the liquid sphere at the tip of the growing nanostructure. The work reveals the requirements of vapour-liquid-solid growth. It can be applied for quantitative understanding of vapour-liquid-solid growth and to design experiments for controlled growth of nanostructures with custom-designed morphologies.
Recycled diesel carbon nanoparticles for nanostructured battery anodes

NASA Astrophysics Data System (ADS)

Chen, Yuming; Liu, Chang; Sun, Xiaoxuan; Ye, Han; Cheung, Chunshun; Zhou, Limin

2015-02-01

Considerable attention has been devoted to using rational nanostructure design to address critical carbonaceous anode material issues for next-generation lithium-ion batteries (LIBs). However, the fabrication of nanostructured carbonaceous anode materials often involves complex processes and expensive starting materials. Diesel engine is an important source of nanostructured carbon particles with diameters ranging 20 nm-60 nm suspended in air, resulting in a serious scourge of global climate and a series of diseases such as lung cancer, asthma, and cardiovascular disease. Here, we show that diesel carbon nanoparticles collected from diesel engines can be chemically activated to create a porous structure. The resulting nanostructured carbon electrodes have a high specific capacity of 936 mAh g-1 after 40 cycles at 0.05 A/g, and excellent cycle stability while retaining a capacity of ∼210 mAh g-1 after 1200 cycles at 5 A/g. As recycled diesel carbon nanoparticles are readily available due to the several billion tons of diesel fuel consumed every year by diesel engines, their use represents an exciting source for nanostructured carbonaceous anode materials for high-performance LIBs and improves our environment and health.
DNA nanostructure-based drug delivery nanosystems in cancer therapy.

PubMed

Wu, Dandan; Wang, Lei; Li, Wei; Xu, Xiaowen; Jiang, Wei

2017-11-25

DNA as a novel biomaterial can be used to fabricate different kinds of DNA nanostructures based on its principle of GC/AT complementary base pairing. Studies have shown that DNA nanostructure is a nice drug carrier to overcome big obstacles existing in cancer therapy such as systemic toxicity and unsatisfied drug efficacy. Thus, different types of DNA nanostructure-based drug delivery nanosystems have been designed in cancer therapy. To improve treating efficacy, they are also developed into more functional drug delivery nanosystems. In recent years, some important progresses have been made. The objective of this review is to make a retrospect and summary about these different kinds of DNA nanostructure-based drug delivery nanosystems and their latest progresses: (1) active targeting; (2) mutidrug co-delivery; (3) construction of stimuli-responsive/intelligent nanosystems. Copyright © 2017 Elsevier B.V. All rights reserved.
Nanostructured layers of thermoelectric materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Urban, Jeffrey J.; Lynch, Jared; Coates, Nelson

This disclosure provides systems, methods, and apparatus related to thermoelectric materials. In one aspect, a method includes providing a plurality of nanostructures. The plurality of nanostructures comprise a thermoelectric material, with each nanostructure of the plurality of nanostructures having first ligands disposed on a surface of the nanostructure. The plurality of nanostructures is mixed with a solution containing second ligands and a ligand exchange process occurs in which the first ligands disposed on the plurality of nanostructures are replaced with the second ligands. The plurality of nanostructures is deposited on a substrate to form a layer. The layer is thermallymore » annealed.« less
The Computer Aided Aircraft-design Package (CAAP)

NASA Technical Reports Server (NTRS)

Yalif, Guy U.

1994-01-01

The preliminary design of an aircraft is a complex, labor-intensive, and creative process. Since the 1970's, many computer programs have been written to help automate preliminary airplane design. Time and resource analyses have identified, 'a substantial decrease in project duration with the introduction of an automated design capability'. Proof-of-concept studies have been completed which establish 'a foundation for a computer-based airframe design capability', Unfortunately, today's design codes exist in many different languages on many, often expensive, hardware platforms. Through the use of a module-based system architecture, the Computer aided Aircraft-design Package (CAAP) will eventually bring together many of the most useful features of existing programs. Through the use of an expert system, it will add an additional feature that could be described as indispensable to entry level engineers and students: the incorporation of 'expert' knowledge into the automated design process.
Effects of antibacterial nanostructured composite films on vascular stents: hemodynamic behaviors, microstructural characteristics, and biomechanical properties.

PubMed

Cheng, Han-Yi; Hsiao, Wen-Tien; Lin, Li-Hsiang; Hsu, Ya-Ju; Sinrang, Andi Wardihan; Ou, Keng-Liang

2015-01-01

The purpose of this research was to investigate stresses resulting from different thicknesses and compositions of hydrogenated Cu-incorporated diamond-like carbon (a-C:H/Cu) films at the interface between vascular stent and the artery using three-dimensional reversed finite element models (FEMs). Blood flow velocity variation in vessels with plaques was examined by angiography, and the a-C:H/Cu films were characterized by transmission electron microscopy to analyze surface morphology. FEMs were constructed using a computer-aided reverse design system, and the effects of antibacterial nanostructured composite films in the stress field were investigated. The maximum stress in the vascular stent occurred at the intersections of net-like structures. Data analysis indicated that the stress decreased by 15% in vascular stents with antibacterial nanostructured composite films compared to the control group, and the stress decreased with increasing film thickness. The present results confirmed that antibacterial nanostructured composite films improve the biomechanical properties of vascular stents and release abnormal stress to prevent restenosis. The results of the present study offer the clinical benefit of inducing superior biomechanical behavior in vascular stents. © 2014 Wiley Periodicals, Inc.

Computer-Aided Drug Design Methods.

PubMed

Yu, Wenbo; MacKerell, Alexander D

2017-01-01

Computational approaches are useful tools to interpret and guide experiments to expedite the antibiotic drug design process. Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the two general types of computer-aided drug design (CADD) approaches in existence. SBDD methods analyze macromolecular target 3-dimensional structural information, typically of proteins or RNA, to identify key sites and interactions that are important for their respective biological functions. Such information can then be utilized to design antibiotic drugs that can compete with essential interactions involving the target and thus interrupt the biological pathways essential for survival of the microorganism(s). LBDD methods focus on known antibiotic ligands for a target to establish a relationship between their physiochemical properties and antibiotic activities, referred to as a structure-activity relationship (SAR), information that can be used for optimization of known drugs or guide the design of new drugs with improved activity. In this chapter, standard CADD protocols for both SBDD and LBDD will be presented with a special focus on methodologies and targets routinely studied in our laboratory for antibiotic drug discoveries.
Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters.

PubMed

Torre, A La; Åhlgren, E H; Fay, M W; Ben Romdhane, F; Skowron, S T; Parmenter, C; Davies, A J; Jouhannaud, J; Pourroy, G; Khlobystov, A N; Brown, P D; Besley, E; Banhart, F

2016-08-11

We report on the growth and formation of single-layer boron nitride dome-shaped nanostructures mediated by small iron clusters located on flakes of hexagonal boron nitride. The nanostructures were synthesized in situ at high temperature inside a transmission electron microscope while the e-beam was blanked. The formation process, typically originating at defective step-edges on the boron nitride support, was investigated using a combination of transmission electron microscopy, electron energy loss spectroscopy and computational modelling. Computational modelling showed that the domes exhibit a nanotube-like structure with flat circular caps and that their stability was comparable to that of a single boron nitride layer.
One-Dimensional Hetero-Nanostructures for Rechargeable Batteries.

PubMed

Mai, Liqiang; Sheng, Jinzhi; Xu, Lin; Tan, Shuangshuang; Meng, Jiashen

2018-04-17

Rechargeable batteries are regarded as one of the most practical electrochemical energy storage devices that are able to convert and store the electrical energy generated from renewable resources, and they function as the key power sources for electric vehicles and portable electronics. The ultimate goals for electrochemical energy storage devices are high power and energy density, long lifetime, and high safety. To achieve the above goals, researchers have tried to apply various morphologies of nanomaterials as the electrodes to enhance the electrochemical performance. Among them, one-dimensional (1D) materials show unique superiorities, such as cross-linked structures for external stress buffering and large draw ratios for internal stress dispersion. However, a homogeneous single-component electrode material can hardly have the characteristics of high electronic/ionic conductivity and high stability in the electrochemical environment simultaneously. Therefore, designing well-defined functional 1D hetero-nanostructures that combine the advantages and overcome the limitations of different electrochemically active materials is of great significance. This Account summarizes fabrication strategies for 1D hetero-nanostructures, including nucleation and growth, deposition, and melt-casting and electrospinning. Besides, the chemical principles for each strategy are discussed. The nucleation and growth strategy is suitable for growing and constructing 1D hetero-nanostructures of partial transition metal compounds, and the experimental conditions for this strategy are relatively accessible. Deposition is a reliable strategy to synthesize 1D hetero-nanostructures by decorating functional layers on 1D substrate materials, on the condition that the preobtained substrate materials must be stable in the following deposition process. The melt-casting strategy, in which 1D hetero-nanostructures are synthesizes via a melting and molding process, is also widely used. Additionally
Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids

DOE PAGES

Nebgen, Benjamin Tyler; Magurudeniya, Harsha D.; Kwock, Kevin Wen Chi; ...

2017-07-18

Molecular dynamics simulations (up to the nanoscale) were performed on the 3-methyl-1-pentylimidazolium ionic liquid cation paired with three anions; chloride, nitrate, and thiocyanate as aqueous mixtures, using the effective fragment potential (EFP) method, a computationally inexpensive way of modeling intermolecular interactions. The simulations provided insight (preferred geometries, radial distribution functions and theoretical proton NMR resonances) into the interactions within the ionic domain and are validated against 1H NMR spectroscopy and small- and wide-angle X-ray scattering experiments on 1-decyl-3-methylimidazolium. Ionic liquids containing thiocyanate typically resist gelation and form poorly ordered lamellar structures upon mixing with water. Conversely, chloride, a strongly coordinatingmore » anion, normally forms strong physical gels and produces well-ordered nanostructures adopting a variety of structural motifs over a very wide range of water compositions. Nitrate is intermediate in character, whereby upon dispersal in water it displays a range of viscosities and self-assembles into nanostructures with considerable variability in the fidelity of ordering and symmetry, as a function of water content in the binary mixtures. The observed changes in the macro and nanoscale characteristics were directly correlated to ionic domain structures and intermolecular interactions as theoretically predicted by the analysis of MD trajectories and calculated RDFs. Specifically, both chloride and nitrate are positioned in the plane of the cation. Anion to cation proximity is dependent on water content. Thiocyanate is more susceptible to water insertion into the second solvent shell. Experimental 1H NMR chemical shifts monitor the site-specific competition dependence with water content in the binary mixtures. As a result, thiocyanate preferentially sits above and below the aromatic ring plane, a state disallowing interaction with the protons on the imidazolium
Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids.

PubMed

Nebgen, Benjamin T; Magurudeniya, Harsha D; Kwock, Kevin W C; Ringstrand, Bryan S; Ahmed, Towfiq; Seifert, Sönke; Zhu, Jian-Xin; Tretiak, Sergei; Firestone, Millicent A

2017-12-14

Molecular dynamics simulations (up to the nanoscale) were performed on the 3-methyl-1-pentylimidazolium ionic liquid cation paired with three anions; chloride, nitrate, and thiocyanate as aqueous mixtures, using the effective fragment potential (EFP) method, a computationally inexpensive way of modeling intermolecular interactions. The simulations provided insight (preferred geometries, radial distribution functions and theoretical proton NMR resonances) into the interactions within the ionic domain and are validated against 1 H NMR spectroscopy and small- and wide-angle X-ray scattering experiments on 1-decyl-3-methylimidazolium. Ionic liquids containing thiocyanate typically resist gelation and form poorly ordered lamellar structures upon mixing with water. Conversely, chloride, a strongly coordinating anion, normally forms strong physical gels and produces well-ordered nanostructures adopting a variety of structural motifs over a very wide range of water compositions. Nitrate is intermediate in character, whereby upon dispersal in water it displays a range of viscosities and self-assembles into nanostructures with considerable variability in the fidelity of ordering and symmetry, as a function of water content in the binary mixtures. The observed changes in the macro and nanoscale characteristics were directly correlated to ionic domain structures and intermolecular interactions as theoretically predicted by the analysis of MD trajectories and calculated RDFs. Specifically, both chloride and nitrate are positioned in the plane of the cation. Anion to cation proximity is dependent on water content. Thiocyanate is more susceptible to water insertion into the second solvent shell. Experimental 1 H NMR chemical shifts monitor the site-specific competition dependence with water content in the binary mixtures. Thiocyanate preferentially sits above and below the aromatic ring plane, a state disallowing interaction with the protons on the imidazolium ring.
Bottom-Up Synthesis and Sensor Applications of Biomimetic Nanostructures

PubMed Central

Wang, Li; Sun, Yujing; Li, Zhuang; Wu, Aiguo; Wei, Gang

2016-01-01

The combination of nanotechnology, biology, and bioengineering greatly improved the developments of nanomaterials with unique functions and properties. Biomolecules as the nanoscale building blocks play very important roles for the final formation of functional nanostructures. Many kinds of novel nanostructures have been created by using the bioinspired self-assembly and subsequent binding with various nanoparticles. In this review, we summarized the studies on the fabrications and sensor applications of biomimetic nanostructures. The strategies for creating different bottom-up nanostructures by using biomolecules like DNA, protein, peptide, and virus, as well as microorganisms like bacteria and plant leaf are introduced. In addition, the potential applications of the synthesized biomimetic nanostructures for colorimetry, fluorescence, surface plasmon resonance, surface-enhanced Raman scattering, electrical resistance, electrochemistry, and quartz crystal microbalance sensors are presented. This review will promote the understanding of relationships between biomolecules/microorganisms and functional nanomaterials in one way, and in another way it will guide the design and synthesis of biomimetic nanomaterials with unique properties in the future. PMID:28787853
Theory of hyperbolic stratified nanostructures for surface-enhanced Raman scattering

NASA Astrophysics Data System (ADS)

Wong, Herman M. K.; Dezfouli, Mohsen Kamandar; Axelrod, Simon; Hughes, Stephen; Helmy, Amr S.

2017-11-01

We theoretically investigate the enhancement of surface enhanced Raman spectroscopy (SERS) using hyperbolic stratified nanostructures and compare to metal nanoresonators. The photon Green function of each nanostructure within its environment is first obtained from a semianalytical modal theory, which is used in a quantum optics formalism of the molecule-nanostructure interaction to model the SERS spectrum. An intuitive methodology is presented for calculating the single-molecule enhancement factor (SMEF), which is also able to predict known experimental SERS enhancement factors of a gold nanodimer. We elucidate the important figures-of-merit of the enhancement and explore these for different designs. We find that the use of hyperbolic stratified materials can enhance the photonic local density of states (LDOS) by close to two times in comparison to pure metal nanostructures, when both designed to work at the same operating wavelengths. However, the increased LDOS is accompanied by higher electric field concentration within the lossy hyperbolic material, which leads to increased quenching that serves to reduce the overall detected SERS enhancement in the far field. For nanoresonators with resonant localized surface plasmon wavelengths in the near-infrared, the SMEF for the hyperbolic stratified nanostructure is approximately one order of magnitude lower than the pure metal counterpart. Conversely, we show that by detecting the Raman signal using a near-field probe, hyperbolic materials can provide an improvement in SERS enhancement compared to using pure metal nanostructures when the probe is sufficiently close (<50 nm ) to the Raman active molecule at the plasmonic hotspot.
Theoretical Investigations of Well-Defined Graphene Nanostructures: Catalysis, Spectroscopy, and Development of Novel Fragment-Based Models

NASA Astrophysics Data System (ADS)

Noffke, Benjamin W.

Carbon materials have the potential to replace some precious metals in renewable energy applications. These materials are particularly attractive because of the elemental abundance and relatively low nuclear mass of carbon, implying economically feasible and lightweight materials. Targeted design of carbon materials is hindered by the lack of fundamental understanding that is required to tailor their properties for the desired application. However, most available synthetic methods to create carbon materials involve harsh conditions that limit the control of the resulting structure. Without a well-defined structure, the system is too complex and fundamental studies cannot be definitive. This work seeks to gain fundamental understanding through the development and application of efficient computational models for these systems, in conjunction with experiments performed on soluble, well-defined graphene nanostructures prepared by our group using a bottom-up synthetic approach. Theory is used to determine mechanistic details for well-defined carbon systems in applications of catalysis and electrochemical transformations. The resulting computational models do well to explain previous observations of carbon materials and provide suggestions for future directions. However, as the system size of the nanostructures gets larger, the computational cost can become prohibitive. To reduce the computational scaling of quantum chemical calculations, a new fragmentation scheme has been developed that addresses the challenges of fragmenting conjugated molecules. By selecting fragments that retain important structural characteristics in graphene, a more efficient method is achieved. The new method paves the way for an automated, systematic fragmentation scheme of graphene molecules.
Computer Aided Drug Design: Success and Limitations.

PubMed

Baig, Mohammad Hassan; Ahmad, Khurshid; Roy, Sudeep; Ashraf, Jalaluddin Mohammad; Adil, Mohd; Siddiqui, Mohammad Haris; Khan, Saif; Kamal, Mohammad Amjad; Provazník, Ivo; Choi, Inho

2016-01-01

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.
Lyotropic liquid crystal engineering moving beyond binary compositional space - ordered nanostructured amphiphile self-assembly materials by design.

PubMed

van 't Hag, Leonie; Gras, Sally L; Conn, Charlotte E; Drummond, Calum J

2017-05-22

Ordered amphiphile self-assembly materials with a tunable three-dimensional (3D) nanostructure are of fundamental interest, and crucial for progressing several biological and biomedical applications, including in meso membrane protein crystallization, as drug and medical contrast agent delivery vehicles, and as biosensors and biofuel cells. In binary systems consisting of an amphiphile and a solvent, the ability to tune the 3D cubic phase nanostructure, lipid bilayer properties and the lipid mesophase is limited. A move beyond the binary compositional space is therefore required for efficient engineering of the required material properties. In this critical review, the phase transitions upon encapsulation of more than 130 amphiphilic and soluble additives into the bicontinuous lipidic cubic phase under excess hydration are summarized. The data are interpreted using geometric considerations, interfacial curvature, electrostatic interactions, partition coefficients and miscibility of the alkyl chains. The obtained lyotropic liquid crystal engineering design rules can be used to enhance the formulation of self-assembly materials and provides a large library of these materials for use in biomedical applications (242 references).
Nanostructured composite reinforced material

DOEpatents

Seals, Roland D [Oak Ridge, TN; Ripley, Edward B [Knoxville, TN; Ludtka, Gerard M [Oak Ridge, TN

2012-07-31

A family of materials wherein nanostructures and/or nanotubes are incorporated into a multi-component material arrangement, such as a metallic or ceramic alloy or composite/aggregate, producing a new material or metallic/ceramic alloy. The new material has significantly increased strength, up to several thousands of times normal and perhaps substantially more, as well as significantly decreased weight. The new materials may be manufactured into a component where the nanostructure or nanostructure reinforcement is incorporated into the bulk and/or matrix material, or as a coating where the nanostructure or nanostructure reinforcement is incorporated into the coating or surface of a "normal" substrate material. The nanostructures are incorporated into the material structure either randomly or aligned, within grains, or along or across grain boundaries.
Computer-aided design of antenna structures and components

NASA Technical Reports Server (NTRS)

Levy, R.

1976-01-01

This paper discusses computer-aided design procedures for antenna reflector structures and related components. The primary design aid is a computer program that establishes cross sectional sizes of the structural members by an optimality criterion. Alternative types of deflection-dependent objectives can be selected for designs subject to constraints on structure weight. The computer program has a special-purpose formulation to design structures of the type frequently used for antenna construction. These structures, in common with many in other areas of application, are represented by analytical models that employ only the three translational degrees of freedom at each node. The special-purpose construction of the program, however, permits coding and data management simplifications that provide advantages in problem size and execution speed. Size and speed are essentially governed by the requirements of structural analysis and are relatively unaffected by the added requirements of design. Computation times to execute several design/analysis cycles are comparable to the times required by general-purpose programs for a single analysis cycle. Examples in the paper illustrate effective design improvement for structures with several thousand degrees of freedom and within reasonable computing times.
Computer-aided design development transition for IPAD environment

NASA Technical Reports Server (NTRS)

Owens, H. G.; Mock, W. D.; Mitchell, J. C.

1980-01-01

The relationship of federally sponsored computer-aided design/computer-aided manufacturing (CAD/CAM) programs to the aircraft life cycle design process, an overview of NAAD'S CAD development program, an evaluation of the CAD design process, a discussion of the current computing environment within which NAAD is developing its CAD system, some of the advantages/disadvantages of the NAAD-IPAD approach, and CAD developments during transition into the IPAD system are discussed.
Nanostructured thick 3D nanofibrous scaffold can induce bone.

PubMed

Eap, Sandy; Morand, David; Clauss, François; Huck, Olivier; Stoltz, Jean-François; Lutz, Jean-Christophe; Gottenberg, Jacques-Eric; Benkirane-Jessel, Nadia; Keller, Laetitia; Fioretti, Florence

2015-01-01

Designing unique nanostructured biomimetic materials is a new challenge in modern regenerative medicine. In order to develop functional substitutes for damaged organs or tissues, several methods have been used to create implants able to regenerate robust and durable bone. Electrospinning produces nonwoven scaffolds based on polymer nanofibers mimicking the fibrillar organization of bone extracellular matrix. Here, we describe a biomimetic 3D thick nanofibrous scaffold obtained by electrospinning of the biodegradable, bioresorbable and FDA-approved polymer, poly(ε-caprolactone). Such scaffold presents a thickness reaching one centimeter. We report here the demonstration that the designed nanostructured implant is able to induce in vivo bone regeneration.
Computational design and multiscale modeling of a nanoactuator using DNA actuation.

PubMed

Hamdi, Mustapha

2009-12-02

Developments in the field of nanobiodevices coupling nanostructures and biological components are of great interest in medical nanorobotics. As the fundamentals of bio/non-bio interaction processes are still poorly understood in the design of these devices, design tools and multiscale dynamics modeling approaches are necessary at the fabrication pre-project stage. This paper proposes a new concept of optimized carbon nanotube based servomotor design for drug delivery and biomolecular transport applications. The design of an encapsulated DNA-multi-walled carbon nanotube actuator is prototyped using multiscale modeling. The system is parametrized by using a quantum level approach and characterized by using a molecular dynamics simulation. Based on the analysis of the simulation results, a servo nanoactuator using ionic current feedback is simulated and analyzed for application as a drug delivery carrier.
Polycrystallinity of Lithographically Fabricated Plasmonic Nanostructures Dominates Their Acoustic Vibrational Damping.

PubMed

Yi, Chongyue; Su, Man-Nung; Dongare, Pratiksha D; Chakraborty, Debadi; Cai, Yi-Yu; Marolf, David M; Kress, Rachael N; Ostovar, Behnaz; Tauzin, Lawrence J; Wen, Fangfang; Chang, Wei-Shun; Jones, Matthew R; Sader, John E; Halas, Naomi J; Link, Stephan

2018-06-13

The study of acoustic vibrations in nanoparticles provides unique and unparalleled insight into their mechanical properties. Electron-beam lithography of nanostructures allows precise manipulation of their acoustic vibration frequencies through control of nanoscale morphology. However, the dissipation of acoustic vibrations in this important class of nanostructures has not yet been examined. Here we report, using single-particle ultrafast transient extinction spectroscopy, the intrinsic damping dynamics in lithographically fabricated plasmonic nanostructures. We find that in stark contrast to chemically synthesized, monocrystalline nanoparticles, acoustic energy dissipation in lithographically fabricated nanostructures is solely dominated by intrinsic damping. A quality factor of Q = 11.3 ± 2.5 is observed for all 147 nanostructures, regardless of size, geometry, frequency, surface adhesion, and mode. This result indicates that the complex Young's modulus of this material is independent of frequency with its imaginary component being approximately 11 times smaller than its real part. Substrate-mediated acoustic vibration damping is strongly suppressed, despite strong binding between the glass substrate and Au nanostructures. We anticipate that these results, characterizing the optomechanical properties of lithographically fabricated metal nanostructures, will help inform their design for applications such as photoacoustic imaging agents, high-frequency resonators, and ultrafast optical switches.
Fabrication and characterization of ordered arrays of nanostructures

NASA Astrophysics Data System (ADS)

Larson, Preston

2005-11-01

Nanostructures are currently of great interest because of their unique properties and potential applications in a wide range of areas such as opto-electronic and biomedical devices. Current research in nanotechnology involves fabrication and characterization of these structures, as well as theoretical and experimental studies to explore their unique and novel properties. Not only do nanostructures have the potential to be both evolutionary (state-of-the-art ICs have more and more features on the nanoscale) but revolutionary (quantum computing) as well. In this thesis, a combination of bottom-up and top-down approaches is explored to fabricate ordered arrays of nanostrucutures. The bottom-up approach involves the growth of self-organized porous anodic aluminum oxide (AAO) films. AAO films consist of a well ordered hexagonal array of close-packed pores with diameters and spacings ranging from around 5 to 500 nm. Via a top-down approach, these AAO films are then used as masks or templates to fabricate ordered arrays of nanostructures (i.e. dots, holes, meshes, pillars, rings, etc.) of various materials using conventional deposition and/or etching techniques. Using AAO films as masks allows a simple and economical method to fabricate arrays of structures with nano-scale dimensions. Furthermore, they allow the fabrication of large areas (many millimeters on a side) of highly uniform and well-ordered arrays of nanostructures, a crucial requirement for most characterization techniques and applications. Characterization of these nanostructures using various techniques (electron microscopy, atomic force microscopy, UV-Vis absorption spectroscopy, photoluminescence, capacitance-voltage measurements, magnetization hysteresis curves, etc.) will be presented. Finally, these structures provide a unique opportunity to determine the single and collective properties of nanostructure arrays and will have various future applications including but not limited to: data storage, light
Equivalent-Continuum Modeling of Nano-Structured Materials

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2001-01-01

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.
Optimizing the design of nanostructures for improved thermal conduction within confined spaces

PubMed Central

2011-01-01

Maintaining constant temperature is of particular importance to the normal operation of electronic devices. Aiming at the question, this paper proposes an optimum design of nanostructures made of high thermal conductive nanomaterials to provide outstanding heat dissipation from the confined interior (possibly nanosized) to the micro-spaces of electronic devices. The design incorporates a carbon nanocone for conducting heat from the interior to the exterior of a miniature electronic device, with the optimum diameter, D0, of the nanocone satisfying the relationship: D02(x) ∝ x1/2 where x is the position along the length direction of the carbon nanocone. Branched structure made of single-walled carbon nanotubes (CNTs) are shown to be particularly suitable for the purpose. It was found that the total thermal resistance of a branched structure reaches a minimum when the diameter ratio, β* satisfies the relationship: β* = γ-0.25bN-1/k*, where γ is ratio of length, b = 0.3 to approximately 0.4 on the single-walled CNTs, b = 0.6 to approximately 0.8 on the multiwalled CNTs, k* = 2 and N is the bifurcation number (N = 2, 3, 4 ...). The findings of this research provide a blueprint in designing miniaturized electronic devices with outstanding heat dissipation. PACS numbers: 44.10.+i, 44.05.+e, 66.70.-f, 61.48.De PMID:21711953
Interlinked multiphase Fe-doped MnO2 nanostructures: a novel design for enhanced pseudocapacitive performance

NASA Astrophysics Data System (ADS)

Wang, Ziya; Wang, Fengping; Li, Yan; Hu, Jianlin; Lu, Yanzhen; Xu, Mei

2016-03-01

Structure designing and morphology control can lead to high performance pseudocapacitive materials for supercapacitors. In this work, we have designed interlinked multiphase Fe-doped MnO2 nanostructures (α-MnO2/R-MnO2/ε-MnO2) to enhance the electrochemical properties by a facile method. These hierarchical hollow microspheres assembled by interconnected nanoflakes, and with plenty of porous nanorods radiating from the spherical shells were hydrothermally obtained. The supercapacitor electrode prepared from the unique construction exhibits outstanding specific capacitance of 267.0 F g-1 even under a high mass loading (~5 mg cm-2). Obviously improved performances compared to pure MnO2 are also demonstrated with a good rate capability, high energy density (1.30 mW h cm-3) and excellent cycling stability of 100% capacitance retention after 2000 cycles at 2 A g-1. The synergistic effects of alternative crystal structures, appropriate crystallinity and optimal morphology are identified to be responsible for the observations. This rational multiphase composite strategy provides a promising idea for materials scientists to design and prepare scalable electrode materials for energy storage devices.Structure designing and morphology control can lead to high performance pseudocapacitive materials for supercapacitors. In this work, we have designed interlinked multiphase Fe-doped MnO2 nanostructures (α-MnO2/R-MnO2/ε-MnO2) to enhance the electrochemical properties by a facile method. These hierarchical hollow microspheres assembled by interconnected nanoflakes, and with plenty of porous nanorods radiating from the spherical shells were hydrothermally obtained. The supercapacitor electrode prepared from the unique construction exhibits outstanding specific capacitance of 267.0 F g-1 even under a high mass loading (~5 mg cm-2). Obviously improved performances compared to pure MnO2 are also demonstrated with a good rate capability, high energy density (1.30 mW h cm-3) and

Teaching Engineering Design Using Computer Workstations.

ERIC Educational Resources Information Center

Hodgson, J. M.

1988-01-01

Explains the use of computer workstations in Electronic Engineering and in Control and Computer Engineering. Provides an introduction; initial teaching exercises at the first year, second, and third year design, research and development; and conclusions. (YP)
Reflectance analysis of porosity gradient in nanostructured silicon layers

NASA Astrophysics Data System (ADS)

Jurečka, Stanislav; Imamura, Kentaro; Matsumoto, Taketoshi; Kobayashi, Hikaru

2017-12-01

In this work we study optical properties of nanostructured layers formed on silicon surface. Nanostructured layers on Si are formed in order to reach high suppression of the light reflectance. Low spectral reflectance is important for improvement of the conversion efficiency of solar cells and for other optoelectronic applications. Effective method of forming nanostructured layers with ultralow reflectance in a broad interval of wavelengths is in our approach based on metal assisted etching of Si. Si surface immersed in HF and H2O2 solution is etched in contact with the Pt mesh roller and the structure of the mesh is transferred on the etched surface. During this etching procedure the layer density evolves gradually and the spectral reflectance decreases exponentially with the depth in porous layer. We analyzed properties of the layer porosity by incorporating the porosity gradient into construction of the layer spectral reflectance theoretical model. Analyzed layer is splitted into 20 sublayers in our approach. Complex dielectric function in each sublayer is computed by using Bruggeman effective media theory and the theoretical spectral reflectance of modelled multilayer system is computed by using Abeles matrix formalism. Porosity gradient is extracted from the theoretical reflectance model optimized in comparison to the experimental values. Resulting values of the structure porosity development provide important information for optimization of the technological treatment operations.
Quantum Mechanical Simulations of Complex Nanostructures for Photovoltaic Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Zhigang

A quantitative understanding of the electronic excitations in nanostructures, especially complex nanostructures, is crucial for making new-generation photovoltaic (PV) cells based on nanotechnology, which have high efficiency and low cost. Yet current quantum mechanical simulation methods are either computationally too expensive or not accurate and reliable enough, hindering the rational design of the nanoscale PV cells. The PI seeks to develop new methodologies to overcome the challenges in this very difficult and long-lasting problem, pushing the field forward so that electronic excitations can be accurately predicted for systems involving thousands of atoms. The primary objective of this project is tomore » develop new approaches for electronic excitation calculations that are more accurate than traditional density functional theory (DFT) and are applicable to systems larger than what current beyond-DFT methods can treat. In this proposal, the PI will first address the excited-state problem within the DFT framework to obtain quasiparticle energies from both Kohn-Sham (KS) eigenvalues and orbitals; and the electron-hole binding energy will be computed based on screened Coulomb interaction of corresponding DFT orbitals. The accuracy of these approaches will be examined against many-body methods of GW/BSE and quantum Monte Carlo (QMC). The PI will also work on improving the accuracy and efficiency of the GW/BSE and QMC methods in electronic excitation computations by using better KS orbitals obtained from orbital-dependent DFT as inputs. Then an extended QMC database of ground- and excited-state properties will be developed, and this will be spot checked and supplemented with data from GW/BSE calculations. The investigation will subsequently focus on the development of an improved exchange-correlation (XC) density functional beyond the current generalized gradient approximation (GGA) level of parameterization, with parameters fitted to the QMC database. This will
High-performance noncontact thermal diode via asymmetric nanostructures

NASA Astrophysics Data System (ADS)

Shen, Jiadong; Liu, Xianglei; He, Huan; Wu, Weitao; Liu, Baoan

2018-05-01

Electric diodes, though laying the foundation of modern electronics and information processing industries, suffer from ineffectiveness and even failure at high temperatures. Thermal diodes are promising alternatives to relieve above limitations, but usually possess low rectification ratios, and how to obtain a high-performance thermal rectification effect is still an open question. This paper proposes an efficient contactless thermal diode based on the near-field thermal radiation of asymmetric doped silicon nanostructures. The rectification ratio computed via exact scattering theories is demonstrated to be as high as 10 at a nanoscale gap distance and period, outperforming the counterpart flat-plate diode by more than one order of magnitude. This extraordinary performance mainly lies in the higher forward and lower reverse radiative heat flux within the low frequency band compared with the counterpart flat-plate diode, which is caused by a lower loss and smaller cut-off wavevector of nanostructures for the forward and reversed scheme, respectively. This work opens new routes to realize high performance thermal diodes, and may have wide applications in efficient thermal computing, thermal information processing, and thermal management.
Design, Fabrication, and Characterization of Hematite (α-Fe2O3) Nanostructures

NASA Astrophysics Data System (ADS)

Jansi Rani, B.; Mageswari, R.; Ravi, G.; Ganesh, V.; Yuvakkumar, R.

2017-12-01

The influence of processing parameters on the physicochemical properties of hematite α-Fe2O3 nanostructures was investigated. X-ray diffraction results revealed the hematite phase rhombohedral structure. Scanning electron microscope results explored nanospheres, nanohexagonal platelets, nanoellipsoids, distorted nanocubes, and interconnected platelets nanostructures. Rhombohedral single-phase hematite was confirmed through five Raman active modes. 2 P 3/2 (1) → 2 P 1/2 transition in photoluminescence spectra and Fourier-transform infrared spectroscopy band observed at 555 cm-1 revealed the hematite formation. The highest specific capacitance value of 151.09 F/g for scan rate of 10 mV/s was obtained for the hydrothermal-assisted product using an Fe(NO3)2·9H2O precursor in KOH electrolyte solutions.
Teaching Design Patterns through Computer Game Development

ERIC Educational Resources Information Center

Gestwicki, Paul; Sun, Fu-Shing

2008-01-01

We present an approach for teaching design patterns that emphasizes object-orientation and patterns integration. The context of computer game development is used to engage and motivate students, and it is additionally rich with design patterns. A case study is presented based on "EEClone," an arcade-style computer game implemented in Java. Our…
Enhancing Solar Cell Efficiencies through 1-D Nanostructures

PubMed Central

2009-01-01

The current global energy problem can be attributed to insufficient fossil fuel supplies and excessive greenhouse gas emissions resulting from increasing fossil fuel consumption. The huge demand for clean energy potentially can be met by solar-to-electricity conversions. The large-scale use of solar energy is not occurring due to the high cost and inadequate efficiencies of existing solar cells. Nanostructured materials have offered new opportunities to design more efficient solar cells, particularly one-dimensional (1-D) nanomaterials for enhancing solar cell efficiencies. These 1-D nanostructures, including nanotubes, nanowires, and nanorods, offer significant opportunities to improve efficiencies of solar cells by facilitating photon absorption, electron transport, and electron collection; however, tremendous challenges must be conquered before the large-scale commercialization of such cells. This review specifically focuses on the use of 1-D nanostructures for enhancing solar cell efficiencies. Other nanostructured solar cells or solar cells based on bulk materials are not covered in this review. Major topics addressed include dye-sensitized solar cells, quantum-dot-sensitized solar cells, and p-n junction solar cells.
Computer-Aided Design Of Turbine Blades And Vanes

NASA Technical Reports Server (NTRS)

Hsu, Wayne Q.

1988-01-01

Quasi-three-dimensional method for determining aerothermodynamic configuration of turbine uses computer-interactive analysis and design and computer-interactive graphics. Design procedure executed rapidly so designer easily repeats it to arrive at best performance, size, structural integrity, and engine life. Sequence of events in aerothermodynamic analysis and design starts with engine-balance equations and ends with boundary-layer analysis and viscous-flow calculations. Analysis-and-design procedure interactive and iterative throughout.
Computer aided drug design

NASA Astrophysics Data System (ADS)

Jain, A.

2017-08-01

Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.
Nanostructures having high performance thermoelectric properties

DOEpatents

Yang, Peidong; Majumdar, Arunava; Hochbaum, Allon I.; Chen, Renkun; Delgado, Raul Diaz

2015-12-22

The invention provides for a nanostructure, or an array of such nanostructures, each comprising a rough surface, and a doped or undoped semiconductor. The nanostructure is an one-dimensional (1-D) nanostructure, such a nanowire, or a two-dimensional (2-D) nanostructure. The nanostructure can be placed between two electrodes and used for thermoelectric power generation or thermoelectric cooling.
Nanostructures having high performance thermoelectric properties

DOEpatents

Yang, Peidong; Majumdar, Arunava; Hochbaum, Allon I; Chen, Renkun; Delgado, Raul Diaz

2014-05-20

The invention provides for a nanostructure, or an array of such nanostructures, each comprising a rough surface, and a doped or undoped semiconductor. The nanostructure is an one-dimensional (1-D) nanostructure, such a nanowire, or a two-dimensional (2-D) nanostructure. The nanostructure can be placed between two electrodes and used for thermoelectric power generation or thermoelectric cooling.
Design of microstrip components by computer

NASA Technical Reports Server (NTRS)

Cisco, T. C.

1972-01-01

Development of computer programs for component analysis and design aids used in production of microstrip components is discussed. System includes designs for couplers, filters, circulators, transformers, power splitters, diode switches, and attenuators.
Computer Aided Conceptual Design of Submarines

DTIC Science & Technology

1984-06-01

Department 5f i ngi eering . May 19134 Certified by: Thesi Supervisor Accepted Y.’.I Cr’rman, (IeaV gineer ing Departmental Comimitte C - nuusý"(Xwa has...the equilibrium polygon. The Package interfaces with a pressure hull design module developed separately in an O.E. thesis by Marvin Meade. Interactive...computers or computer aided design systems. c- A𔃺ccession -or4 Thesis Supervisor: Dr. David V. Burke NI R~ Title: Professor of Ocean Engineering DTIC
Concentration gradient induced morphology evolution of silica nanostructure growth on photoresist-derived carbon micropatterns

NASA Astrophysics Data System (ADS)

Liu, Dan; Shi, Tielin; Xi, Shuang; Lai, Wuxing; Liu, Shiyuan; Li, Xiaoping; Tang, Zirong

2012-09-01

The evolution of silica nanostructure morphology induced by local Si vapor source concentration gradient has been investigated by a smart design of experiments. Silica nanostructure or their assemblies with different morphologies are obtained on photoresist-derived three-dimensional carbon microelectrode array. At a temperature of 1,000°C, rope-, feather-, and octopus-like nanowire assemblies can be obtained along with the Si vapor source concentration gradient flow. While at 950°C, stringlike assemblies, bamboo-like nanostructures with large joints, and hollow structures with smaller sizes can be obtained along with the Si vapor source concentration gradient flow. Both vapor-liquid-solid and vapor-quasiliquid-solid growth mechanisms have been applied to explain the diverse morphologies involving branching, connecting, and batch growth behaviors. The present approach offers a potential method for precise design and controlled synthesis of nanostructures with different features.
A computational workflow for designing silicon donor qubits

DOE PAGES

Humble, Travis S.; Ericson, M. Nance; Jakowski, Jacek; ...

2016-09-19

Developing devices that can reliably and accurately demonstrate the principles of superposition and entanglement is an on-going challenge for the quantum computing community. Modeling and simulation offer attractive means of testing early device designs and establishing expectations for operational performance. However, the complex integrated material systems required by quantum device designs are not captured by any single existing computational modeling method. We examine the development and analysis of a multi-staged computational workflow that can be used to design and characterize silicon donor qubit systems with modeling and simulation. Our approach integrates quantum chemistry calculations with electrostatic field solvers to performmore » detailed simulations of a phosphorus dopant in silicon. We show how atomistic details can be synthesized into an operational model for the logical gates that define quantum computation in this particular technology. In conclusion, the resulting computational workflow realizes a design tool for silicon donor qubits that can help verify and validate current and near-term experimental devices.« less
Determining suitable lego-structures to estimate stability of larger peptide nanostructures using computational methods.

PubMed

Beke, Tamás; Czajlik, András; Csizmadia, Imre G; Perczel, András

2006-02-02

Nanofibers, nanofilms and nanotubes constructed of one to four strands of oligo-alpha- and oligo-beta-peptides were obtained by using carefully selected building units. Lego-type approaches based on thermoneutral isodesmic reactions can be used to reconstruct the total energies of both linear and tubular periodic nanostructures with acceptable accuracy. Total energies of several different nanostructures were accurately determined with errors typically falling in the subchemical range. Thus, attention will be focused on the description of suitable isodesmic reactions that have enabled the determination of the total energy of polypeptides and therefore offer a very fast, efficient and accurate method to obtain energetic information on large and even very large nanosystems.
[Computational chemistry in structure-based drug design].

PubMed

Cao, Ran; Li, Wei; Sun, Han-Zi; Zhou, Yu; Huang, Niu

2013-07-01

Today, the understanding of the sequence and structure of biologically relevant targets is growing rapidly and researchers from many disciplines, physics and computational science in particular, are making significant contributions to modern biology and drug discovery. However, it remains challenging to rationally design small molecular ligands with desired biological characteristics based on the structural information of the drug targets, which demands more accurate calculation of ligand binding free-energy. With the rapid advances in computer power and extensive efforts in algorithm development, physics-based computational chemistry approaches have played more important roles in structure-based drug design. Here we reviewed the newly developed computational chemistry methods in structure-based drug design as well as the elegant applications, including binding-site druggability assessment, large scale virtual screening of chemical database, and lead compound optimization. Importantly, here we address the current bottlenecks and propose practical solutions.
Jumping-Droplet-Enhanced Condensation on Scalable Superhydrophobic Nanostructured Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miljkovic, N; Enright, R; Nam, Y

When droplets coalesce on a superhydrophobic nanostructured surface, the resulting droplet can jump from the surface due to the release of excess surface energy. If designed properly, these superhydrophobic nanostructured surfaces can not only allow for easy droplet removal at micrometric length scales during condensation but also promise to enhance heat transfer performance. However, the rationale for the design of an ideal nanostructured surface as well as heat transfer experiments demonstrating the advantage of this jumping behavior are lacking. Here, we show that silanized copper oxide surfaces created via a simple fabrication method can achieve highly efficient jumping-droplet condensation heatmore » transfer. We experimentally demonstrated a 25% higher overall heat flux and 30% higher condensation heat transfer coefficient compared to state-of-the-art hydrophobic condensing surfaces at low supersaturations (<1.12). This work not only shows significant condensation heat transfer enhancement but also promises a low cost and scalable approach to increase efficiency for applications such as atmospheric water harvesting and dehumidification. Furthermore, the results offer insights and an avenue to achieve high flux superhydrophobic condensation.« less
Computational protein design: a review

NASA Astrophysics Data System (ADS)

Coluzza, Ivan

2017-04-01

Proteins are one of the most versatile modular assembling systems in nature. Experimentally, more than 110 000 protein structures have been identified and more are deposited every day in the Protein Data Bank. Such an enormous structural variety is to a first approximation controlled by the sequence of amino acids along the peptide chain of each protein. Understanding how the structural and functional properties of the target can be encoded in this sequence is the main objective of protein design. Unfortunately, rational protein design remains one of the major challenges across the disciplines of biology, physics and chemistry. The implications of solving this problem are enormous and branch into materials science, drug design, evolution and even cryptography. For instance, in the field of drug design an effective computational method to design protein-based ligands for biological targets such as viruses, bacteria or tumour cells, could give a significant boost to the development of new therapies with reduced side effects. In materials science, self-assembly is a highly desired property and soon artificial proteins could represent a new class of designable self-assembling materials. The scope of this review is to describe the state of the art in computational protein design methods and give the reader an outline of what developments could be expected in the near future.
Printable nanostructured silicon solar cells for high-performance, large-area flexible photovoltaics.

PubMed

Lee, Sung-Min; Biswas, Roshni; Li, Weigu; Kang, Dongseok; Chan, Lesley; Yoon, Jongseung

2014-10-28

Nanostructured forms of crystalline silicon represent an attractive materials building block for photovoltaics due to their potential benefits to significantly reduce the consumption of active materials, relax the requirement of materials purity for high performance, and hence achieve greatly improved levelized cost of energy. Despite successful demonstrations for their concepts over the past decade, however, the practical application of nanostructured silicon solar cells for large-scale implementation has been hampered by many existing challenges associated with the consumption of the entire wafer or expensive source materials, difficulties to precisely control materials properties and doping characteristics, or restrictions on substrate materials and scalability. Here we present a highly integrable materials platform of nanostructured silicon solar cells that can overcome these limitations. Ultrathin silicon solar microcells integrated with engineered photonic nanostructures are fabricated directly from wafer-based source materials in configurations that can lower the materials cost and can be compatible with deterministic assembly procedures to allow programmable, large-scale distribution, unlimited choices of module substrates, as well as lightweight, mechanically compliant constructions. Systematic studies on optical and electrical properties, photovoltaic performance in experiments, as well as numerical modeling elucidate important design rules for nanoscale photon management with ultrathin, nanostructured silicon solar cells and their interconnected, mechanically flexible modules, where we demonstrate 12.4% solar-to-electric energy conversion efficiency for printed ultrathin (∼ 8 μm) nanostructured silicon solar cells when configured with near-optimal designs of rear-surface nanoposts, antireflection coating, and back-surface reflector.

Computational Design of Molecularly Imprinted Polymers

NASA Astrophysics Data System (ADS)

Subrahmanyam, Sreenath; Piletsky, Sergey A.

Artificial receptors have been in use for several decades as sensor elements, in affinity separation, and as models for investigation of molecular recognition. Although there have been numerous publications on the use of molecular modeling in characterization of their affinity and selectivity, very few attempts have been made on the application of molecular modeling in computational design of synthetic receptors. This chapter discusses recent successes in the use of computational design for the development of one particular branch of synthetic receptors - molecularly imprinted polymers.
Geometric modeling for computer aided design

NASA Technical Reports Server (NTRS)

Schwing, James L.

1993-01-01

Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.
Synthesis and characterization of transition metal oxide/sulfide nanostructures for electrochemical applications

NASA Astrophysics Data System (ADS)

Yilmaz, Gamze

This thesis is essentially oriented to develop low-cost nanostructured transition metal (nickel and vanadium) oxides and sulfides with high energy density, power density and electrochemical stability via strategies of structural design, hybridization, functionalization and surface engineering. Metal oxide and metal oxide/sulfide hybrid nanostructures in several designs, including hierarchical porous nanostructures, hollow polyhedrons, nanocubes, nanoframes, octopod nanoframes, and nanocages, were synthesized to study the contribution of structural design, compositional engineering, functionalization and surface engineering to the electrochemical properties of the materials. Modulated compositional and structural features disclosed the opportunities of large accessible active sites, facile ion transport, robustness and enhanced electrical conductivity. The best electrochemical performance with merits of highest energy density (38.9 Wh kg-1), power density (7.4 kW kg-1) and electrochemical stability (90.9% after 10000 cycles) was obtained for nickel cobalt layered double hydroxide/cobalt sulfide (NiCo-LDH/Co9S8) hybrid hollow polyhedron structure.
Integrating nanostructured electrodes in organic photovoltaic devices for enhancing near-infrared photoresponse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nardes, Alexandre M.; Ahn, Sungmo; Rourke, Devin

2016-12-01

We introduce a simple methodology to integrate prefabricated nanostructured-electrodes in solution-processed organic photovoltaic (OPV) devices. The tailored 'photonic electrode' nanostructure is used for light management in the device and for hole collection. This approach opens up new possibilities for designing photonically active structures that can enhance the absorption of sub-bandgap photons in the active layer. We discuss the design, fabrication and characterization of photonic electrodes, and the methodology for integrating them to OPV devices using a simple lamination technique. We demonstrate theoretically and experimentally that OPV devices using photonic electrodes show a factor of ca. 5 enhancement in external quantummore » efficiency (EQE) in the near infrared region. We use simulations to trace this observed efficiency enhancement to surface plasmon polariton modes in the nanostructure.« less
Electromagnetic plasmon propagation and coupling through gold nanoring heptamers: a route to design optimized telecommunication photonic nanostructures.

PubMed

Ahmadivand, Arash; Golmohammadi, Saeed

2014-06-20

In this work, a configuration of bulk gold nanorings with certain geometrical sizes has been utilized for designing efficient photonic subwavelength nanostructures. We verify that adjacent heptamers based on gold nanorings are able to couple and transport magnetic plasmon resonance along a nanoring array in chrysene and triphenylene molecule orientations. This magnetic resonance transmission is caused by an antiphase circular current through the heptamer arrays. An orientation model of nanoring heptamers helps us to provide efficient optical structures with a remarkable decay length and a trivial ratio of destructive interferences. Exploiting the robust magnetic plasmon resonance coupling effect between heptamers arrays, we would be able to propose a practical plasmonic waveguide, a Y-shaped optical power divider (splitter), and an ON/OFF router that is operating based on destructive and constructive interferences. The quality of power splitting has been discussed comprehensively and also, the effect of undesirable occasions on the functioning performance of the proposed router has been investigated numerically. Ultimately, we verify that employing heptamers based on gold nanorings leads us to propose efficient plasmonic nanostructures and devices that are able to work in the telecommunication spectrum.
New computing systems, future computing environment, and their implications on structural analysis and design

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Housner, Jerrold M.

1993-01-01

Recent advances in computer technology that are likely to impact structural analysis and design of flight vehicles are reviewed. A brief summary is given of the advances in microelectronics, networking technologies, and in the user-interface hardware and software. The major features of new and projected computing systems, including high performance computers, parallel processing machines, and small systems, are described. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed. The impact of the advances in computer technology on structural analysis and the design of flight vehicles is described. A scenario for future computing paradigms is presented, and the near-term needs in the computational structures area are outlined.
Survey: Computer Usage in Design Courses.

ERIC Educational Resources Information Center

Henley, Ernest J.

1983-01-01

Presents results of a survey of chemical engineering departments regarding computer usage in senior design courses. Results are categorized according to: computer usage (use of process simulators, student-written programs, faculty-written or "canned" programs; costs (hard and soft money); and available software. Programs offered are…
Records for conversion of laser energy to nuclear energy in exploding nanostructures

NASA Astrophysics Data System (ADS)

Jortner, Joshua; Last, Isidore

2017-09-01

Table-top nuclear fusion reactions in the chemical physics laboratory can be driven by high-energy dynamics of Coulomb exploding, multicharged, deuterium containing nanostructures generated by ultraintense, femtosecond, near-infrared laser pulses. Theoretical-computational studies of table-top laser-driven nuclear fusion of high-energy (up to 15 MeV) deuterons with 7Li, 6Li and D nuclei demonstrate the attainment of high fusion yields within a source-target reaction design, which constitutes the highest table-top fusion efficiencies obtained up to date. The conversion efficiency of laser energy to nuclear energy (0.1-1.0%) for table-top fusion is comparable to that for DT fusion currently accomplished for 'big science' inertial fusion setups.
Nanostructured electrocatalysts with tunable activity and selectivity

NASA Astrophysics Data System (ADS)

Mistry, Hemma; Varela, Ana Sofia; Kühl, Stefanie; Strasser, Peter; Cuenya, Beatriz Roldan

2016-04-01

The field of electrocatalysis has undergone tremendous advancement in the past few decades, in part owing to improvements in catalyst design at the nanoscale. These developments have been crucial for the realization of and improvement in alternative energy technologies based on electrochemical reactions such as fuel cells. Through the development of novel synthesis methods, characterization techniques and theoretical methods, rationally designed nanoscale electrocatalysts with tunable activity and selectivity have been achieved. This Review explores how nanostructures can be used to control electrochemical reactivity, focusing on three model reactions: O2 electroreduction, CO2 electroreduction and ethanol electrooxidation. The mechanisms behind nanoscale control of reactivity are discussed, such as the presence of low-coordinated sites or facets, strain, ligand effects and bifunctional effects in multimetallic materials. In particular, studies of how particle size, shape and composition in nanostructures can be used to tune reactivity are highlighted.
Computer Assisted Instructional Design for Computer-Based Instruction. Final Report. Working Papers.

ERIC Educational Resources Information Center

Russell, Daniel M.; Pirolli, Peter

Recent advances in artificial intelligence and the cognitive sciences have made it possible to develop successful intelligent computer-aided instructional systems for technical and scientific training. In addition, computer-aided design (CAD) environments that support the rapid development of such computer-based instruction have also been recently…
Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire.

PubMed

Pan, Hui

2014-01-01

Design of novel materials for efficient solar energy conversion is critical to the development of green energy technology. In this work, we present a first-principles study on the design of nanostructures for solar energy harvesting on the basis of the density functional theory. We show that the indirect band structure of bulk silicon nitride is transferred to direct bandgap in nanowire. We find that intermediate bands can be created by doping, leading to enhancement of sunlight absorption. We further show that codoping not only reduces the bandgap and introduces intermediate bands but also enhances the solubility of dopants in silicon nitride nanowires due to reduced formation energy of substitution. Importantly, the codoped nanowire is ferromagnetic, leading to the improvement of carrier mobility. The silicon nitride nanowires with direct bandgap, intermediate bands, and ferromagnetism may be applicable to solar energy harvesting.
How To Identify Plasmons from the Optical Response of Nanostructures

PubMed Central

2017-01-01

A promising trend in plasmonics involves shrinking the size of plasmon-supporting structures down to a few nanometers, thus enabling control over light–matter interaction at extreme-subwavelength scales. In this limit, quantum mechanical effects, such as nonlocal screening and size quantization, strongly affect the plasmonic response, rendering it substantially different from classical predictions. For very small clusters and molecules, collective plasmonic modes are hard to distinguish from other excitations such as single-electron transitions. Using rigorous quantum mechanical computational techniques for a wide variety of physical systems, we describe how an optical resonance of a nanostructure can be classified as either plasmonic or nonplasmonic. More precisely, we define a universal metric for such classification, the generalized plasmonicity index (GPI), which can be straightforwardly implemented in any computational electronic-structure method or classical electromagnetic approach to discriminate plasmons from single-particle excitations and photonic modes. Using the GPI, we investigate the plasmonicity of optical resonances in a wide range of systems including: the emergence of plasmonic behavior in small jellium spheres as the size and the number of electrons increase; atomic-scale metallic clusters as a function of the number of atoms; and nanostructured graphene as a function of size and doping down to the molecular plasmons in polycyclic aromatic hydrocarbons. Our study provides a rigorous foundation for the further development of ultrasmall nanostructures based on molecular plasmonics. PMID:28651057
Segmented metallic nanostructures, homogeneous metallic nanostructures and methods for producing same

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, Stanislaus; Koenigsmann, Christopher

The present invention includes a method of producing a segmented 1D nanostructure. The method includes providing a vessel containing a template wherein on one side of the template is a first metal reagent solution and on the other side of the template is a reducing agent solution, wherein the template comprises at least one pore; allowing a first segment of a 1D nanostructure to grow within a pore of the template until a desired length is reached; replacing the first metal reagent solution with a second metal reagent solution; allowing a second segment of a 1D nanostructure to grow frommore » the first segment until a desired length is reached, wherein a segmented 1D nanostructure is produced.« less
Study of Growth Kinetics in One Dimensional and Two Dimensional ZnO Nanostructures

NASA Astrophysics Data System (ADS)

Yin, Xin

Because of the merits arising from the unique geometry, nanostructure materials have been an essential class of materials, which have shown great potentials in the fields of electronics, photonics, and biology. With various nanostructures being intensively investigated and successfully complemented into device applications, there has been one increasing demand to the investigation of the growth mechanism devoted to the controlled nanostructure synthesis. Motivated by this situation, this thesis is focused on the fundamental understanding of the nanostructure growth. Specifically, by taking zinc oxide as an example material, through controlling the basic driving force, that is, the supersaturation, I have rationally designed and synthesized various of nanostructures, and further applied the classical layer-by-layer growth mechanism to the understanding on the formation of these nanostructures, they are, the convex-plate-capped nanowires, the concave-plate-capped nanowires, the facet evolution at the tip of the nanowires, and the ultrathin 2D nanosheets.
In vivo production of RNA nanostructures via programmed folding of single-stranded RNAs.

PubMed

Li, Mo; Zheng, Mengxi; Wu, Siyu; Tian, Cheng; Liu, Di; Weizmann, Yossi; Jiang, Wen; Wang, Guansong; Mao, Chengde

2018-06-06

Programmed self-assembly of nucleic acids is a powerful approach for nano-constructions. The assembled nanostructures have been explored for various applications. However, nucleic acid assembly often requires chemical or in vitro enzymatical synthesis of DNA or RNA, which is not a cost-effective production method on a large scale. In addition, the difficulty of cellular delivery limits the in vivo applications. Herein we report a strategy that mimics protein production. Gene-encoded DNA duplexes are transcribed into single-stranded RNAs, which self-fold into well-defined RNA nanostructures in the same way as polypeptide chains fold into proteins. The resulting nanostructure contains only one component RNA molecule. This approach allows both in vitro and in vivo production of RNA nanostructures. In vivo synthesized RNA strands can fold into designed nanostructures inside cells. This work not only suggests a way to synthesize RNA nanostructures on a large scale and at a low cost but also facilitates the in vivo applications.
The NASA computer aided design and test system

NASA Technical Reports Server (NTRS)

Gould, J. M.; Juergensen, K.

1973-01-01

A family of computer programs facilitating the design, layout, evaluation, and testing of digital electronic circuitry is described. CADAT (computer aided design and test system) is intended for use by NASA and its contractors and is aimed predominantly at providing cost effective microelectronic subsystems based on custom designed metal oxide semiconductor (MOS) large scale integrated circuits (LSIC's). CADAT software can be easily adopted by installations with a wide variety of computer hardware configurations. Its structure permits ease of update to more powerful component programs and to newly emerging LSIC technologies. The components of the CADAT system are described stressing the interaction of programs rather than detail of coding or algorithms. The CADAT system provides computer aids to derive and document the design intent, includes powerful automatic layout software, permits detailed geometry checks and performance simulation based on mask data, and furnishes test pattern sequences for hardware testing.
Aptamer-integrated DNA nanostructures for biosensing, bioimaging and cancer therapy.

PubMed

Meng, Hong-Min; Liu, Hui; Kuai, Hailan; Peng, Ruizi; Mo, Liuting; Zhang, Xiao-Bing

2016-05-03

The combination of nanostructures with biomolecules leading to the generation of functional nanosystems holds great promise for biotechnological and biomedical applications. As a naturally occurring biomacromolecule, DNA exhibits excellent biocompatibility and programmability. Also, scalable synthesis can be readily realized through automated instruments. Such unique properties, together with Watson-Crick base-pairing interactions, make DNA a particularly promising candidate to be used as a building block material for a wide variety of nanostructures. In the past few decades, various DNA nanostructures have been developed, including one-, two- and three-dimensional nanomaterials. Aptamers are single-stranded DNA or RNA molecules selected by Systematic Evolution of Ligands by Exponential Enrichment (SELEX), with specific recognition abilities to their targets. Therefore, integrating aptamers into DNA nanostructures results in powerful tools for biosensing and bioimaging applications. Furthermore, owing to their high loading capability, aptamer-modified DNA nanostructures have also been altered to play the role of drug nanocarriers for in vivo applications and targeted cancer therapy. In this review, we summarize recent progress in the design of aptamers and related DNA molecule-integrated DNA nanostructures as well as their applications in biosensing, bioimaging and cancer therapy. To begin with, we first introduce the SELEX technology. Subsequently, the methodologies for the preparation of aptamer-integrated DNA nanostructures are presented. Then, we highlight their applications in biosensing and bioimaging for various targets, as well as targeted cancer therapy applications. Finally, we discuss several challenges and further opportunities in this emerging field.
Fabry-Perot magnonic ballistic coherent transport across ultrathin ferromagnetic lamellar bcc Ni nanostructures between Fe leads

NASA Astrophysics Data System (ADS)

Khater, A.; Saim, L.; Tigrine, R.; Ghader, D.

2018-06-01

We propose thermodynamically stable systems of ultrathin lamellar bcc Ni nanostructures between bcc Fe leads, sbnd Fe[Ni(n)]Fesbnd , based on the available literature for bcc Ni overlayers on Fe(001) surfaces, and establish the necessary criteria for their structural and ferromagnetic order, for thicknesses n ≤ 6 bcc Ni monatomic layers. The system is globally ferromagnetic. A theoretical model is presented to investigate and understand the ballistic coherent scattering of Fe spin-waves, incident from the leads, at the ferromagnetic bcc Ni nanostructure. The Nisbnd Ni and Nisbnd Fe exchange are computed using the Ising effective field theory (EFT), and the magnetic ground state of the system is constructed in the Heisenberg representation. We compute the spin-wave eigenmodes localized on the bcc Ni nanostructure, using the phase field matching theory (PFMT), illustrating the effects of symmetry breaking on the confinement of localized spin excitations. The reflection and transmission scattering properties of spin-waves incident from the Fe leads, across the embedded Ni nanostructures are investigated within the framework of the same PFMT methodology. A highly refined Fabry-Perot magnonic ballistic coherent transmission spectra is observed for these sbnd Fe[Ni(n)]Fesbnd systems.
One-dimensional ZnO nanostructures.

PubMed

Jayadevan, K P; Tseng, T Y

2012-06-01

The wide-gap semiconductor ZnO with nanostructures such as nanoparticle, nanorod, nanowire, nanobelt, nanotube has high potential for a variety of applications. This article reviews the fundamentals of one-dimensional ZnO nanostructures, including processing, structure, property, application and their processing-microstructure-property correlation. Various fabrication methods of the ZnO nanostructures including vapor-liquid-solid process, vapor-solid growth, solution growth, solvothermal growth, template-assisted growth and self-assembly are introduced. The characterization and properties of the ZnO nanostructures are described. The possible applications of these nanostructures are also discussed.
Designing Interaction for Next Generation Personal Computing

NASA Astrophysics Data System (ADS)

de Michelis, Giorgio; Loregian, Marco; Moderini, Claudio; Marti, Patrizia; Colombo, Cesare; Bannon, Liam; Storni, Cristiano; Susani, Marco

Over two decades of research in the field of Interaction Design and Computer Supported Cooperative Work convinced us that the current design of workstations no longer fits users’ needs. It is time to design new personal computers based on metaphors alternative to the desktop one. With this SIG, we are seeking to involve international HCI professionals into the challenges of designing products that are radically new and tackling the many different issues of modern knowledge workers. We would like to engage a wider cross-section of the community: our focus will be on issues of development and participation and the impact of different values in our work.

Computer aided airship design

NASA Technical Reports Server (NTRS)

Davis, S. J.; Rosenstein, H.

1975-01-01

The Comprehensive Airship Sizing and Performance Computer Program (CASCOMP) is described which was developed and used in the design and evaluation of advanced lighter-than-air (LTA) craft. The program defines design details such as engine size and number, component weight buildups, required power, and the physical dimensions of airships which are designed to meet specified mission requirements. The program is used in a comparative parametric evaluation of six advanced lighter-than-air concepts. The results indicate that fully buoyant conventional airships have the lightest gross lift required when designed for speeds less than 100 knots and the partially buoyant concepts are superior above 100 knots. When compared on the basis of specific productivity, which is a measure of the direct operating cost, the partially buoyant lifting body/tilting prop-rotor concept is optimum.
Computer Aided Design in Engineering Education.

ERIC Educational Resources Information Center

Gobin, R.

1986-01-01

Discusses the use of Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) systems in an undergraduate engineering education program. Provides a rationale for CAD/CAM use in the already existing engineering program. Describes the methods used in choosing the systems, some initial results, and warnings for first-time users. (TW)
Deformation Behavior of Al/a-Si Core-shell Nanostructures

NASA Astrophysics Data System (ADS)

Fleming, Robert

), while the Al nanodots have both higher friction (COF 0.044) and are deformed when subjected to contact loads as low as 250 microN. This integrated experimental and computational study elucidates the mechanisms that contribute to the novel properties of Al/a-Si CSNs and characterizes the tribological properties of surface composed of these nanostructures, which provides a foundation for the rational design of novel technologies based on CSNs.
Subwavelength core/shell cylindrical nanostructures for novel plasmonic and metamaterial devices

NASA Astrophysics Data System (ADS)

Kim, Kyoung-Ho; No, You-Shin

2017-12-01

In this review, we introduce novel plasmonic and metamaterial devices based on one-dimensional subwavelength nanostructures with cylindrical symmetry. Individual single devices with semiconductor/metal core/shell or dielectric/metal core/multi-shell structures experience strong light-matter interaction and yield unique optical properties with a variety of functions, e.g., invisibility cloaking, super-scattering/super-absorption, enhanced luminescence and nonlinear optical activities, and deep subwavelength-scale optical waveguiding. We describe the rational design of core/shell cylindrical nanostructures and the proper choice of appropriate constituent materials, which allow the efficient manipulation of electromagnetic waves and help to overcome the limitations of conventional homogeneous nanostructures. The recent developments of bottom-up synthesis combined with the top-down fabrication technologies for the practical applications and the experimental realizations of 1D subwavelength core/shell nanostructure devices are briefly discussed.
Robust peptide bundles designed computationally

NASA Astrophysics Data System (ADS)

Haider, Michael; Zhang, Huixi Violet; Kiick, Kristi; Saven, Jeffery; Pochan, Darrin

Peptides are ideal candidates for the design and controlled assembly of nanoscale materials due to their potential to assemble with atomistic precision as in biological systems. Unlike other work utilizing natural proteins and structural motifs, this effort is completely de novo in order to build arbitrary structures with desired size for the specific placement and separation of functional groups. We have successfully computationally designed soluble, coiled coil, peptide, tetramer bundles which are robust and stable. Using circular dichroism we demonstrated the thermal stability of these bundles as well as confirmed their alpha helical and coiled coil nature. The stability of these bundles arises from the computational design of the coiled coil interior core residues. The coiled coil tetramer was confirmed to be the dominant species by analytical ultra-centrifugation sedimentation studies. We also established how these bundles behave in solution using small angle neutron scattering. The form factor of the bundles is well represented by a cylinder model and their behavior at high concentrations is modeled using a structure factor for aggregates of the cylinders. All of these experiments support our claim that the designed coiled coil bundles were achieved in solution. NSF DMREF 1234161.
Engineering Technology Programs Courses Guide for Computer Aided Design and Computer Aided Manufacturing.

ERIC Educational Resources Information Center

Georgia Univ., Athens. Div. of Vocational Education.

This guide describes the requirements for courses in computer-aided design and computer-aided manufacturing (CAD/CAM) that are part of engineering technology programs conducted in vocational-technical schools in Georgia. The guide is organized in five sections. The first section provides a rationale for occupations in design and in production,…
Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics.

PubMed

Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi

2016-01-01

Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design.
Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics

PubMed Central

Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi

2016-01-01

Abstract: Background Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design. PMID:27075578
Bioinspired phase-separated disordered nanostructures for thin photovoltaic absorbers.

PubMed

Siddique, Radwanul H; Donie, Yidenekachew J; Gomard, Guillaume; Yalamanchili, Sisir; Merdzhanova, Tsvetelina; Lemmer, Uli; Hölscher, Hendrik

2017-10-01

The wings of the black butterfly, Pachliopta aristolochiae , are covered by micro- and nanostructured scales that harvest sunlight over a wide spectral and angular range. Considering that these properties are particularly attractive for photovoltaic applications, we analyze the contribution of these micro- and nanostructures, focusing on the structural disorder observed in the wing scales. In addition to microspectroscopy experiments, we conduct three-dimensional optical simulations of the exact scale structure. On the basis of these results, we design nanostructured thin photovoltaic absorbers of disordered nanoholes, which combine efficient light in-coupling and light-trapping properties together with a high angular robustness. Finally, inspired by the phase separation mechanism of self-assembled biophotonic nanostructures, we fabricate these bioinspired absorbers using a scalable, self-assembly patterning technique based on the phase separation of binary polymer mixture. The nanopatterned absorbers achieve a relative integrated absorption increase of 90% at a normal incident angle of light to as high as 200% at large incident angles, demonstrating the potential of black butterfly structures for light-harvesting purposes in thin-film solar cells.
Bioinspired phase-separated disordered nanostructures for thin photovoltaic absorbers

PubMed Central

Siddique, Radwanul H.; Donie, Yidenekachew J.; Gomard, Guillaume; Yalamanchili, Sisir; Merdzhanova, Tsvetelina; Lemmer, Uli; Hölscher, Hendrik

2017-01-01

The wings of the black butterfly, Pachliopta aristolochiae, are covered by micro- and nanostructured scales that harvest sunlight over a wide spectral and angular range. Considering that these properties are particularly attractive for photovoltaic applications, we analyze the contribution of these micro- and nanostructures, focusing on the structural disorder observed in the wing scales. In addition to microspectroscopy experiments, we conduct three-dimensional optical simulations of the exact scale structure. On the basis of these results, we design nanostructured thin photovoltaic absorbers of disordered nanoholes, which combine efficient light in-coupling and light-trapping properties together with a high angular robustness. Finally, inspired by the phase separation mechanism of self-assembled biophotonic nanostructures, we fabricate these bioinspired absorbers using a scalable, self-assembly patterning technique based on the phase separation of binary polymer mixture. The nanopatterned absorbers achieve a relative integrated absorption increase of 90% at a normal incident angle of light to as high as 200% at large incident angles, demonstrating the potential of black butterfly structures for light-harvesting purposes in thin-film solar cells. PMID:29057320
Nanostructures Exploit Hybrid-Polariton Resonances

NASA Technical Reports Server (NTRS)

Anderson, Mark

2008-01-01

designing a nanostructure to exhibit the desired radiation-absorption properties translates, in large part, to selecting particle sizes and shapes to obtain the desired enhanced coupling of energy from photons to plasmons and phonons. To broaden the spectral region(s) of enhanced absorption, one would select a distribution of particle sizes and shapes.
Design for approaching Cicada-wing reflectance in low- and high-index biomimetic nanostructures.

PubMed

Huang, Yi-Fan; Jen, Yi-Jun; Chen, Li-Chyong; Chen, Kuei-Hsien; Chattopadhyay, Surojit

2015-01-27

Natural nanostructures in low refractive index Cicada wings demonstrate ≤ 1% reflectance over the visible spectrum. We provide design parameters for Cicada-wing-inspired nanotip arrays as efficient light harvesters over a 300-1000 nm spectrum and up to 60° angle of incidence in both low-index, such as silica and indium tin oxide, and high-index, such as silicon and germanium, photovoltaic materials. Biomimicry of the Cicada wing design, demonstrating gradient index, onto these material surfaces, either by real electron cyclotron resonance microwave plasma processing or by modeling, was carried out to achieve a target reflectance of ∼ 1%. Design parameters of spacing/wavelength and length/spacing fitted into a finite difference time domain model could simulate the experimental reflectance values observed in real silicon and germanium or in model silica and indium tin oxide nanotip arrays. A theoretical mapping of the length/spacing and spacing/wavelength space over varied refractive index materials predicts that lengths of ∼ 1.5 μm and spacings of ∼ 200 nm in high-index and lengths of ∼ 200-600 nm and spacings of ∼ 100-400 nm in low-index materials would exhibit ≤ 1% target reflectance and ∼ 99% optical absorption over the entire UV-vis region and angle of incidence up to 60°.
Designing User-Computer Dialogues: Basic Principles and Guidelines.

ERIC Educational Resources Information Center

Harrell, Thomas H.

This discussion of the design of computerized psychological assessment or testing instruments stresses the importance of the well-designed computer-user interface. The principles underlying the three main functional elements of computer-user dialogue--data entry, data display, and sequential control--are discussed, and basic guidelines derived…
Quantum Computing Architectural Design

NASA Astrophysics Data System (ADS)

West, Jacob; Simms, Geoffrey; Gyure, Mark

2006-03-01

Large scale quantum computers will invariably require scalable architectures in addition to high fidelity gate operations. Quantum computing architectural design (QCAD) addresses the problems of actually implementing fault-tolerant algorithms given physical and architectural constraints beyond those of basic gate-level fidelity. Here we introduce a unified framework for QCAD that enables the scientist to study the impact of varying error correction schemes, architectural parameters including layout and scheduling, and physical operations native to a given architecture. Our software package, aptly named QCAD, provides compilation, manipulation/transformation, multi-paradigm simulation, and visualization tools. We demonstrate various features of the QCAD software package through several examples.
Transitioning Rationally Designed Catalytic Materials to Real 'Working' Catalysts Produced at Commercial Scale: Nanoparticle Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schaidle, Joshua A.; Habas, Susan E.; Baddour, Frederick G.

Catalyst design, from idea to commercialization, requires multi-disciplinary scientific and engineering research and development over 10-20 year time periods. Historically, the identification of new or improved catalyst materials has largely been an empirical trial-and-error process. However, advances in computational capabilities (new tools and increased processing power) coupled with new synthetic techniques have started to yield rationally-designed catalysts with controlled nano-structures and tailored properties. This technological advancement represents an opportunity to accelerate the catalyst development timeline and to deliver new materials that outperform existing industrial catalysts or enable new applications, once a number of unique challenges associated with the scale-up ofmore » nano-structured materials are overcome.« less
(Poly)cation-induced protection of conventional and wireframe DNA origami nanostructures.

PubMed

Ahmadi, Yasaman; De Llano, Elisa; Barišić, Ivan

2018-04-26

DNA nanostructures hold immense potential to be used for biological and medical applications. However, they are extremely vulnerable towards salt depletion and nucleases, which are common under physiological conditions. In this contribution, we used chitosan and linear polyethyleneimine for coating and long-term stabilization of several three-dimensional DNA origami nanostructures. The impact of the degree of polymerization and the charge density of the polymer together with the N/P charge ratio (ratio of the amines in polycations to the phosphates in DNA) on the stability of encapsulated DNA origami nanostructures in the presence of nucleases and in low-salt media was examined. The polycation shells were compatible with enzyme- and aptamer-based functionalization of the DNA nanostructures. Additionally, we showed that despite being highly vulnerable to salt depletion and nucleolytic digestion, self-assembled DNA nanostructures are stable in cell culture media up to a week. This was contrary to unassembled DNA scaffolds that degraded in one hour, showing that placing DNA strands into a spatially designed configuration crucially affect the structural integrity. The stability of naked DNA nanostructures in cell culture was shown to be mediated by growth media. DNA origami nanostructures kept in growth media were significantly more resistant towards low-salt denaturation, DNase I and serum-mediated digestion than when in a conventional buffer. Moreover, we confirmed that DNA origami nanostructures remain not only structurally intact but also fully functional after exposure to cell media. Agarose gel electrophoresis and negative stain transmission electron microscopy analysis revealed the hybridization of DNA origami nanostructures to their targets in the presence of serum proteins and nucleases. The structural integrity and functionality of DNA nanostructures in physiological fluids validate their use particularly for short-time biological applications in which the
Protein-driven RNA nanostructured devices that function in vitro and control mammalian cell fate.

PubMed

Shibata, Tomonori; Fujita, Yoshihiko; Ohno, Hirohisa; Suzuki, Yuki; Hayashi, Karin; Komatsu, Kaoru R; Kawasaki, Shunsuke; Hidaka, Kumi; Yonehara, Shin; Sugiyama, Hiroshi; Endo, Masayuki; Saito, Hirohide

2017-09-14

Nucleic acid nanotechnology has great potential for future therapeutic applications. However, the construction of nanostructured devices that control cell fate by detecting and amplifying protein signals has remained a challenge. Here we design and build protein-driven RNA-nanostructured devices that actuate in vitro by RNA-binding-protein-inducible conformational change and regulate mammalian cell fate by RNA-protein interaction-mediated protein assembly. The conformation and function of the RNA nanostructures are dynamically controlled by RNA-binding protein signals. The protein-responsive RNA nanodevices are constructed inside cells using RNA-only delivery, which may provide a safe tool for building functional RNA-protein nanostructures. Moreover, the designed RNA scaffolds that control the assembly and oligomerization of apoptosis-regulatory proteins on a nanometre scale selectively kill target cells via specific RNA-protein interactions. These findings suggest that synthetic RNA nanodevices could function as molecular robots that detect signals and localize target proteins, induce RNA conformational changes, and programme mammalian cellular behaviour.Nucleic acid nanotechnology has great potential for future therapeutic applications. Here the authors build protein-driven RNA nanostructures that can function within mammalian cells and regulate the cell fate.
5 CFR 838.805 - OPM computation of formulas in computing the designated base.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 5 Administrative Personnel 2 2010-01-01 2010-01-01 false OPM computation of formulas in computing... computing the designated base. (a) A court order awarding a former spouse survivor annuity is not a court...) To provide sufficient instructions and information for OPM to compute the amount of a former spouse...
Probing the effects of the ester functional group, alkyl side chain length and anions on the bulk nanostructure of ionic liquids: a computational study.

PubMed

Fakhraee, Mostafa; Gholami, Mohammad Reza

2016-04-14

The effects of ester addition on nanostructural properties of biodegradable ILs composed of 1-alkoxycarbonyl-3-alkyl-imidazolium cations ([C1COOCnC1im](+), n = 1, 2, 4) combined with [Br](-), [NO3](-), [BF4](-), [PF6](-), [TfO](-), and [Tf2N](-) were explored by using the molecular dynamics (MD) simulations and quantum theory of atoms in molecules (QTAIM) analysis at 400 K. Various thermodynamic properties of these ILs were extensively computed in our earlier work (Ind. Eng. Chem. Res., 2015, 54, 11678-11700). Nano-scale segregation analysis demonstrates the formation of a small spherical island-like hydrocarbon within the continuous ionic domain for ILs with short alkyl side chain ([C1COOC1C1im]), and a sponge-like nanostructure for the compound with long alkyl side chain ([C1COOC4C1im]). Ester-functionalized ILs with ethyl side chain ([C1COOC2C1im]) are the turning point between two different morphologies. Non-polar channels were observed for [C1COOC4C1im] ILs composed of smaller anions such as [Br] and [NO3], whereas clustering organization was found for the other anions. Formation of the spherical micelle-like nanostructure was seen for lengthened cations. Finally, the incorporation of an ester group into the alkyl side chain of the cation leads to stronger segregation between charged and uncharged networks, which consequently increased the possibility of self-assembly and micelle formation.
Control Law Design in a Computational Aeroelasticity Environment

NASA Technical Reports Server (NTRS)

Newsom, Jerry R.; Robertshaw, Harry H.; Kapania, Rakesh K.

2003-01-01

A methodology for designing active control laws in a computational aeroelasticity environment is given. The methodology involves employing a systems identification technique to develop an explicit state-space model for control law design from the output of a computational aeroelasticity code. The particular computational aeroelasticity code employed in this paper solves the transonic small disturbance aerodynamic equation using a time-accurate, finite-difference scheme. Linear structural dynamics equations are integrated simultaneously with the computational fluid dynamics equations to determine the time responses of the structure. These structural responses are employed as the input to a modern systems identification technique that determines the Markov parameters of an "equivalent linear system". The Eigensystem Realization Algorithm is then employed to develop an explicit state-space model of the equivalent linear system. The Linear Quadratic Guassian control law design technique is employed to design a control law. The computational aeroelasticity code is modified to accept control laws and perform closed-loop simulations. Flutter control of a rectangular wing model is chosen to demonstrate the methodology. Various cases are used to illustrate the usefulness of the methodology as the nonlinearity of the aeroelastic system is increased through increased angle-of-attack changes.

Ternary manganese ferrite/graphene/polyaniline nanostructure with enhanced electrochemical capacitance performance

NASA Astrophysics Data System (ADS)

Xiong, Pan; Hu, Chenyao; Fan, Ye; Zhang, Wenyao; Zhu, Junwu; Wang, Xin

2014-11-01

A ternary manganese ferrite/graphene/polyaniline (MGP) nanostructure is designed and synthesized via a facile two-step approach. This nanostructure exhibits outstanding electrochemical performances, such as high specific capacitance (454.8 F g-1 at 0.2 A g-1), excellent rate capability (75.8% capacity retention at 5 A g-1), and good cycling stability (76.4% capacity retention after 5000 cycles at 2 A g-1), which are superior to those of its individual components (manganese ferrite, reduced-graphene oxide, polyaniline) and corresponding binary hybrids (manganese ferrite/graphene (MG), manganese ferrite/polyaniline (MP), and graphene/polyaniline (GP)). A symmetric supercapacitor device using the as-obtained hybrid has been fabricated and tested. The device exhibits a high specific capacitance of 307.2 F g-1 at 0.1 A g-1 with a maximum energy density of 13.5 W h kg-1. The high electrochemical performance of ternary MGP can be attributed to its well-designed nanostructure and the synergistic effect of the individual components.
Tunable Electromagnetic Coupling in Plasmonic Nanostructures Mediated by Thermoresponsive Polymer Brushes.

PubMed

Nguyen, Mai; Kanaev, Andrei; Sun, Xiaonan; Lacaze, Emmanuelle; Lau-Truong, Stéphanie; Lamouri, Aazdine; Aubard, Jean; Felidj, Nordin; Mangeney, Claire

2015-11-24

A smart and highly SERS-active plasmonic platform was designed by coupling regular arrays of nanotriangles to colloidal gold nanorods via a thermoresponsive polymer spacer (poly(N-isopropylacrylamide), PNIPAM). The substrates were prepared by combining a top-down and a bottom-up approach based on nanosphere lithography, surface-initiated controlled radical polymerization, and colloidal assembly. This multistep strategy provided regular hexagonal arrays of nanotriangles functionalized by polymer brushes and colloidal gold nanorods, confined exclusively on the nanotriangle surface. Interestingly, one could finely tune the gold nanorod impregnation on the polymer-coated nanostructures by adjusting the polymer layer thickness, leading to highly coupled plasmonic systems for intense SERS signal. Moreover, the thermoresponsive properties of the PNIPAM brushes could be wisely handled in order to monitor the SERS activity of the nanostructures coupled via this polymer spacer. The coupled hybrid plasmonic nanostructures designed in this work are therefore very promising smart platforms for the sensitive detection of analytes by SERS.
Surface design and engineering of hierarchical hybrid nanostructures for asymmetric supercapacitors with improved electrochemical performance.

PubMed

Achilleos, Demetra S; Hatton, T Alan

2015-06-01

With the current rising world demand for energy sufficiency, there is an increased necessity for the development of efficient energy storage devices. To address these needs, the scientific community has focused on the improvement of the electrochemical properties of the most well known energy storage devices; the Li-ion batteries and electrochemical capacitors, also called supercapacitors. Despite the fact that supercapacitors exhibit high power densities, good reversibility and long cycle life, they still exhibit lower energy densities than batteries, which limit their practical application. Various strategies have been employed to circumvent this problem, specifically targetting an increase in the specific capacitance and the broadening of the potential window of operation of these systems. In recent years, sophisticated surface design and engineering of hierarchical hybrid nanostructures has facilitated significant improvements in the specific and volumetric storage capabilities of supercapacitors. These nanostructured electrodes exhibit higher surface areas for ion adsorption and reduced ion diffusion lengths for the electrolyte ions. Significant advances have also been achieved in broadening the electrochemical window of operation of these systems, as realized via the development of asymmetric two-electrode cells consisting of nanocomposite positive and negative electrodes with complementary electrochemical windows, which operate in environmentally benign aqueous media. We provide an overview of the diverse approaches, in terms of chemistry and nanoscale architecture, employed recently for the development of asymmetric supercapacitors of improved electrochemical performance. Copyright © 2014 Elsevier Inc. All rights reserved.
Topical phenytoin nanostructured lipid carriers: design and development.

PubMed

Motawea, Amira; Borg, Thanaa; Abd El-Gawad, Abd El-Gawad H

2018-01-01

Phenytoin (PHT) is an antiepileptic drug that was reported to exhibit high wound healing activity. Nevertheless, its limited solubility, bioavailability, and inefficient distribution during topical administration limit its use. Therefore, this study aims to develop, characterize nanostructured lipid carriers (NLCs), and evaluate their potential in topical delivery of PHT to improve the drug entrapment efficiency and sustained release. The NLCs were prepared by hot homogenization followed by ultra sonication method using 2 3 factorial design. NLC formulations were characterized regarding their particle size (PS), zeta potential (ZP), entrapment efficiency percent (%EE), surface morphology, physicochemical stability, and in vitro release studies. The optimized NLC (F7) was further incorporated in 1%w/v carbopol gel and then characterized for appearance, pH, viscosity, stability, and in vitro drug release. The prepared NLCs were spherical in shape and possessed an average PS of 121.4-258.2 nm, ZP of (-15.4)-(-32.2) mV, and 55.24-88.80 %EE. Solid-state characterization revealed that the drug is dispersed in an amorphous state with hydrogen bond interaction between the drug and the NLC components. NLC formulations were found to be stable at 25 °C for six months. The stored F7-hydrogel showed insignificant changes in viscosity and drug content (p>.05) up to six months at 25 °C that pave a way for industrial fabrication of efficient PHT products. In vitro release studies showed a sustained release from NLC up to 48 h at pH 7.4 following non-Fickian Higuchi kinetics model. These promising findings encourage the potential use of phenytoin loaded lipid nanoparticles for future topical application.
Retrosynthetic Analysis-Guided Breaking Tile Symmetry for the Assembly of Complex DNA Nanostructures.

PubMed

Wang, Pengfei; Wu, Siyu; Tian, Cheng; Yu, Guimei; Jiang, Wen; Wang, Guansong; Mao, Chengde

2016-10-11

Current tile-based DNA self-assembly produces simple repetitive or highly symmetric structures. In the case of 2D lattices, the unit cell often contains only one basic tile because the tiles often are symmetric (in terms of either the backbone or the sequence). In this work, we have applied retrosynthetic analysis to determine the minimal asymmetric units for complex DNA nanostructures. Such analysis guides us to break the intrinsic structural symmetries of the tiles to achieve high structural complexities. This strategy has led to the construction of several DNA nanostructures that are not accessible from conventional symmetric tile designs. Along with previous studies, herein we have established a set of four fundamental rules regarding tile-based assembly. Such rules could serve as guidelines for the design of DNA nanostructures.
General aviation design synthesis utilizing interactive computer graphics

NASA Technical Reports Server (NTRS)

Galloway, T. L.; Smith, M. R.

1976-01-01

Interactive computer graphics is a fast growing area of computer application, due to such factors as substantial cost reductions in hardware, general availability of software, and expanded data communication networks. In addition to allowing faster and more meaningful input/output, computer graphics permits the use of data in graphic form to carry out parametric studies for configuration selection and for assessing the impact of advanced technologies on general aviation designs. The incorporation of interactive computer graphics into a NASA developed general aviation synthesis program is described, and the potential uses of the synthesis program in preliminary design are demonstrated.
Electrostatic and dispersion interactions during protein adsorption on topographic nanostructures.

PubMed

Elter, Patrick; Lange, Regina; Beck, Ulrich

2011-07-19

Recently, biomaterials research has focused on developing functional implant surfaces with well-defined topographic nanostructures in order to influence protein adsorption and cellular behavior. To enhance our understanding of how proteins interact with such surfaces, we analyze the adsorption of lysozyme on an oppositely charged nanostructure using a computer simulation. We present an algorithm that combines simulated Brownian dynamics with numerical field calculation methods to predict the preferred adsorption sites for arbitrarily shaped substrates. Either proteins can be immobilized at their initial adsorption sites or surface diffusion can be considered. Interactions are analyzed on the basis of Derjaguin-Landau-Verway-Overbeek (DLVO) theory, including electrostatic and London dispersion forces, and numerical solutions are derived using the Poisson-Boltzmann and Hamaker equations. Our calculations show that for a grooved nanostructure (i.e., groove and plateau width 8 nm, height 4 nm), proteins first contact the substrate primarily near convex edges because of better geometric accessibility and increased electric field strengths. Subsequently, molecules migrate by surface diffusion into grooves and concave corners, where short-range dispersion interactions are maximized. In equilibrium, this mechanism leads to an increased surface protein concentration in the grooves, demonstrating that the total amount of protein per surface area can be increased if substrates have concave nanostructures.
The application of computer-aided technologies in automotive styling design

NASA Astrophysics Data System (ADS)

Zheng, Ze-feng; Zhang, Ji; Zheng, Ying

2012-04-01

In automotive industry, outline design is its life and creative design is its soul indeed. Computer-aided technology has been widely used in the automotive industry and more and more attention has been paid. This paper chiefly introduce the application of computer-aided technologies including CAD, CAM and CAE, analyses the process of automotive structural design and describe the development tendency of computer-aided design.
Computer Language For Optimization Of Design

NASA Technical Reports Server (NTRS)

Scotti, Stephen J.; Lucas, Stephen H.

1991-01-01

SOL is computer language geared to solution of design problems. Includes mathematical modeling and logical capabilities of computer language like FORTRAN; also includes additional power of nonlinear mathematical programming methods at language level. SOL compiler takes SOL-language statements and generates equivalent FORTRAN code and system calls. Provides syntactic and semantic checking for recovery from errors and provides detailed reports containing cross-references to show where each variable used. Implemented on VAX/VMS computer systems. Requires VAX FORTRAN compiler to produce executable program.
Computer Code Aids Design Of Wings

NASA Technical Reports Server (NTRS)

Carlson, Harry W.; Darden, Christine M.

1993-01-01

AERO2S computer code developed to aid design engineers in selection and evaluation of aerodynamically efficient wing/canard and wing/horizontal-tail configurations that includes simple hinged-flap systems. Code rapidly estimates longitudinal aerodynamic characteristics of conceptual airplane lifting-surface arrangements. Developed in FORTRAN V on CDC 6000 computer system, and ported to MS-DOS environment.
Computer-aided linear-circuit design.

NASA Technical Reports Server (NTRS)

Penfield, P.

1971-01-01

Usually computer-aided design (CAD) refers to programs that analyze circuits conceived by the circuit designer. Among the services such programs should perform are direct network synthesis, analysis, optimization of network parameters, formatting, storage of miscellaneous data, and related calculations. The program should be embedded in a general-purpose conversational language such as BASIC, JOSS, or APL. Such a program is MARTHA, a general-purpose linear-circuit analyzer embedded in APL.
Nanostructured materials for hydrogen storage

DOEpatents

Williamson, Andrew J.; Reboredo, Fernando A.

2007-12-04

A system for hydrogen storage comprising a porous nano-structured material with hydrogen absorbed on the surfaces of the porous nano-structured material. The system of hydrogen storage comprises absorbing hydrogen on the surfaces of a porous nano-structured semiconductor material.
Interlinked multiphase Fe-doped MnO2 nanostructures: a novel design for enhanced pseudocapacitive performance.

PubMed

Wang, Ziya; Wang, Fengping; Li, Yan; Hu, Jianlin; Lu, Yanzhen; Xu, Mei

2016-04-07

Structure designing and morphology control can lead to high performance pseudocapacitive materials for supercapacitors. In this work, we have designed interlinked multiphase Fe-doped MnO2 nanostructures (α-MnO2/R-MnO2/ε-MnO2) to enhance the electrochemical properties by a facile method. These hierarchical hollow microspheres assembled by interconnected nanoflakes, and with plenty of porous nanorods radiating from the spherical shells were hydrothermally obtained. The supercapacitor electrode prepared from the unique construction exhibits outstanding specific capacitance of 267.0 F g(-1) even under a high mass loading (∼5 mg cm(-2)). Obviously improved performances compared to pure MnO2 are also demonstrated with a good rate capability, high energy density (1.30 mW h cm(-3)) and excellent cycling stability of 100% capacitance retention after 2000 cycles at 2 A g(-1). The synergistic effects of alternative crystal structures, appropriate crystallinity and optimal morphology are identified to be responsible for the observations. This rational multiphase composite strategy provides a promising idea for materials scientists to design and prepare scalable electrode materials for energy storage devices.
The Use of Computer Graphics in the Design Process.

ERIC Educational Resources Information Center

Palazzi, Maria

This master's thesis examines applications of computer technology to the field of industrial design and ways in which technology can transform the traditional process. Following a statement of the problem, the history and applications of the fields of computer graphics and industrial design are reviewed. The traditional industrial design process…
Giga-voxel computational morphogenesis for structural design

NASA Astrophysics Data System (ADS)

Aage, Niels; Andreassen, Erik; Lazarov, Boyan S.; Sigmund, Ole

2017-10-01

In the design of industrial products ranging from hearing aids to automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer-aided design approaches. The computer-aided approach known as topology optimization enables unrestricted design freedom and shows great promise with regard to weight savings, but its applicability has so far been limited to the design of single components or simple structures, owing to the resolution limits of current optimization methods. Here we report a computational morphogenesis tool, implemented on a supercomputer, that produces designs with giga-voxel resolution—more than two orders of magnitude higher than previously reported. Such resolution provides insights into the optimal distribution of material within a structure that were hitherto unachievable owing to the challenges of scaling up existing modelling and optimization frameworks. As an example, we apply the tool to the design of the internal structure of a full-scale aeroplane wing. The optimized full-wing design has unprecedented structural detail at length scales ranging from tens of metres to millimetres and, intriguingly, shows remarkable similarity to naturally occurring bone structures in, for example, bird beaks. We estimate that our optimized design corresponds to a reduction in mass of 2-5 per cent compared to currently used aeroplane wing designs, which translates into a reduction in fuel consumption of about 40-200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems, antennas, nano-optics and micro-systems.
Giga-voxel computational morphogenesis for structural design.

PubMed

Aage, Niels; Andreassen, Erik; Lazarov, Boyan S; Sigmund, Ole

2017-10-04

In the design of industrial products ranging from hearing aids to automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer-aided design approaches. The computer-aided approach known as topology optimization enables unrestricted design freedom and shows great promise with regard to weight savings, but its applicability has so far been limited to the design of single components or simple structures, owing to the resolution limits of current optimization methods. Here we report a computational morphogenesis tool, implemented on a supercomputer, that produces designs with giga-voxel resolution-more than two orders of magnitude higher than previously reported. Such resolution provides insights into the optimal distribution of material within a structure that were hitherto unachievable owing to the challenges of scaling up existing modelling and optimization frameworks. As an example, we apply the tool to the design of the internal structure of a full-scale aeroplane wing. The optimized full-wing design has unprecedented structural detail at length scales ranging from tens of metres to millimetres and, intriguingly, shows remarkable similarity to naturally occurring bone structures in, for example, bird beaks. We estimate that our optimized design corresponds to a reduction in mass of 2-5 per cent compared to currently used aeroplane wing designs, which translates into a reduction in fuel consumption of about 40-200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems, antennas, nano-optics and micro-systems.
Design of Ultrathin Pt-Based Multimetallic Nanostructures for Efficient Oxygen Reduction Electrocatalysis.

PubMed

Lai, Jianping; Guo, Shaojun

2017-12-01

Nanocatalysts with high platinum (Pt) utilization efficiency are attracting extensive attention for oxygen reduction reactions (ORR) conducted at the cathode of fuel cells. Ultrathin Pt-based multimetallic nanostructures show obvious advantages in accelerating the sluggish cathodic ORR due to their ultrahigh Pt utilization efficiency. A focus on recent important developments is provided in using wet chemistry techniques for making/tuning the multimetallic nanostructures with high Pt utilization efficiency for boosting ORR activity and durability. First, new synthetic methods for multimetallic core/shell nanoparticles with ultrathin shell sizes for achieving highly efficient ORR catalysts are reviewed. To obtain better ORR activity and stability, multimetallic nanowires or nanosheets with well-defined structure and surface are further highlighted. Furthermore, ultrathin Pt-based multimetallic nanoframes that feature 3D molecularly accessible surfaces for achieving more efficient ORR catalysis are discussed. Finally, the remaining challenges and outlooks for the future will be provided for this promising research field. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Computer assisted blast design and assessment tools

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cameron, A.R.; Kleine, T.H.; Forsyth, W.W.

1995-12-31

In general the software required by a blast designer includes tools that graphically present blast designs (surface and underground), can analyze a design or predict its result, and can assess blasting results. As computers develop and computer literacy continues to rise the development of and use of such tools will spread. An example of the tools that are becoming available includes: Automatic blast pattern generation and underground ring design; blast design evaluation in terms of explosive distribution and detonation simulation; fragmentation prediction; blast vibration prediction and minimization; blast monitoring for assessment of dynamic performance; vibration measurement, display and signal processing;more » evaluation of blast results in terms of fragmentation; and risk and reliability based blast assessment. The authors have identified a set of criteria that are essential in choosing appropriate software blasting tools.« less
Designing Artificial Enzymes by Intuition and Computation

PubMed Central

Nanda, Vikas; Koder, Ronald L.

2012-01-01

The rational design of artificial enzymes either by applying physio-chemical intuition of protein structure and function or with the aid of computation methods is a promising area of research with the potential to tremendously impact medicine, industrial chemistry and energy production. Designed proteins also provide a powerful platform for dissecting enzyme mechanisms of natural systems. Artificial enzymes have come a long way, from simple α-helical peptide catalysts to proteins that facilitate multi-step chemical reactions designed by state-of-the-art computational methods. Looking forward, we examine strategies employed by natural enzymes which could be used to improve the speed and selectivity of artificial catalysts. PMID:21124375
Uni-directional liquid spreading on asymmetric nanostructured surfaces

NASA Astrophysics Data System (ADS)

Chu, Kuang-Han; Xiao, Rong; Wang, Evelyn N.

2010-05-01

Controlling surface wettability and liquid spreading on patterned surfaces is of significant interest for a broad range of applications, including DNA microarrays, digital lab-on-a-chip, anti-fogging and fog-harvesting, inkjet printing and thin-film lubrication. Advancements in surface engineering, with the fabrication of various micro/nanoscale topographic features, and selective chemical patterning on surfaces, have enhanced surface wettability and enabled control of the liquid film thickness and final wetted shape. In addition, groove geometries and patterned surface chemistries have produced anisotropic wetting, where contact-angle variations in different directions resulted in elongated droplet shapes. In all of these studies, however, the wetting behaviour preserves left-right symmetry. Here, we demonstrate that we can harness the design of asymmetric nanostructured surfaces to achieve uni-directional liquid spreading, where the liquid propagates in a single preferred direction and pins in all others. Through experiments and modelling, we determined that the spreading characteristic is dependent on the degree of nanostructure asymmetry, the height-to-spacing ratio of the nanostructures and the intrinsic contact angle. The theory, based on an energy argument, provides excellent agreement with experimental data. The insights gained from this work offer new opportunities to tailor advanced nanostructures to achieve active control of complex flow patterns and wetting on demand.

Skyrmion states in thin confined polygonal nanostructures

NASA Astrophysics Data System (ADS)

Pepper, Ryan Alexander; Beg, Marijan; Cortés-Ortuño, David; Kluyver, Thomas; Bisotti, Marc-Antonio; Carey, Rebecca; Vousden, Mark; Albert, Maximilian; Wang, Weiwei; Hovorka, Ondrej; Fangohr, Hans

2018-03-01

Recent studies have demonstrated that skyrmionic states can be the ground state in thin-film FeGe disk nanostructures in the absence of a stabilising applied magnetic field. In this work, we advance this understanding by investigating to what extent this stabilisation of skyrmionic structures through confinement exists in geometries that do not match the cylindrical symmetry of the skyrmion—such as squares and triangles. Using simulation, we show that skyrmionic states can form the ground state for a range of system sizes in both triangular and square-shaped FeGe nanostructures of 10 nm thickness in the absence of an applied field. We further provide data to assist in the experimental verification of our prediction; to imitate an experiment where the system is saturated with a strong applied field before the field is removed, we compute the time evolution and show the final equilibrium configuration of magnetization fields, starting from a uniform alignment.
Functionalized nanostructures for enhanced photocatalytic performance under solar light.

PubMed

Guo, Liejin; Jing, Dengwei; Liu, Maochang; Chen, Yubin; Shen, Shaohua; Shi, Jinwen; Zhang, Kai

2014-01-01

Photocatalytic hydrogen production from water has been considered to be one of the most promising solar-to-hydrogen conversion technologies. In the last decade, various functionalized nanostructures were designed to address the primary requirements for an efficient photocatalytic generation of hydrogen by using solar energy: visible-light activity, chemical stability, appropriate band-edge characteristics, and potential for low-cost fabrication. Our aim is to present a short review of our recent attempts that center on the above requirements. We begin with a brief introduction of photocatalysts coupling two or more semiconductors, followed by a further discussion of the heterostructures with improved matching of both band structures and crystal lattices. We then elaborate on the heterostructure design of the targeted materials from macroscopic regulation of compositions and phases, to the more precise control at the nanoscale, i.e., materials with the same compositions but different phases with certain band alignment. We conclude this review with perspectives on nanostructure design that might direct future research of this technology.
Design Optimization Programmable Calculators versus Campus Computers.

ERIC Educational Resources Information Center

Savage, Michael

1982-01-01

A hypothetical design optimization problem and technical information on the three design parameters are presented. Although this nested iteration problem can be solved on a computer (flow diagram provided), this article suggests that several hand held calculators can be used to perform the same design iteration. (SK)
Controlled placement and orientation of nanostructures

DOEpatents

Zettl, Alex K; Yuzvinsky, Thomas D; Fennimore, Adam M

2014-04-08

A method for controlled deposition and orientation of molecular sized nanoelectromechanical systems (NEMS) on substrates is disclosed. The method comprised: forming a thin layer of polymer coating on a substrate; exposing a selected portion of the thin layer of polymer to alter a selected portion of the thin layer of polymer; forming a suspension of nanostructures in a solvent, wherein the solvent suspends the nanostructures and activates the nanostructures in the solvent for deposition; and flowing a suspension of nanostructures across the layer of polymer in a flow direction; thereby: depositing a nanostructure in the suspension of nanostructures only to the selected portion of the thin layer of polymer coating on the substrate to form a deposited nanostructure oriented in the flow direction. By selectively employing portions of the method above, complex NEMS may be built of simpler NEMSs components.
Two-dimensional polyaniline nanostructure to the development of microfluidic integrated flexible biosensors for biomarker detection.

PubMed

Liu, Pei; Zhu, Yisi; Lee, Seung Hee; Yun, Minhee

2016-12-01

In this work, we report a flexible field-effect-transistor (FET) biosensor design based on two-dimensional (2-D) polyaniline (PANI) nanostructure. The flexible biosensor devices were fabricated through a facile and inexpensive method that combines top-down and bottom-up processes. The chemically synthesized PANI nanostructure showed excellent p-type semiconductor properties as well as good compatibility with flexible design. With the 2-D PANI nanostructure being as thin as 80 nm and its extremely large surface-area-to-volume (SA/V) ratio due to the intrinsic properties of PANI chemical synthesis, the developed flexible biosensor exhibited outstanding sensing performance in detecting B-type natriuretic peptide (BNP) biomarkers, and was able to achieve high specificity (averagely 112 folds) with the limit of detection as low as 100 pg/mL. PANI nanostructure under bending condition was also investigated and showed controllable conductance changes being less than 20% with good restorability which may open up the possibility for wearable applications.
Optical properties of plasmonic nanostructures: Theory & experiments

NASA Astrophysics Data System (ADS)

Bala Krishna, Juluri

Metal nanoparticles and thin films enable localization of electromagnetic energy in the form of localized surface plasmon resonances (LSPR) and propagating surface plasmons respectively. This research field, also known as plasmonics, involves understanding and fabricating innovative nanostructures designed to manage and utilize localized light in the nanoscale. Advances in plasmonics will facilitate innovation in sensing, biomedical engineering, energy harvesting and nanophotonic devices. In this thesis, three aspects of plasmonics are studied: 1) active plasmonic systems using charge-induced plasmon shifts (CIPS) and plasmon-molecule resonant coupling; 2) scalable solutions to fabricate large electric field plasmonic nanostructures; and 3) controlling the propagation of designer surface plasmons (DSPs) using parabolic graded media. The full potential of plasmonics can be realized with active plasmonic devices which provide tunable plasmon resonances. The work reported here develops both an understanding for and realization of various mechanisms to achieve tunable plasmonic systems. First, we show that certain nanoparticle geometries and material compositions enable large CIPS. Second, we propose and investigate systems which exhibit coupling between molecular and plasmonic resonances where energy splitting is observed due to interactions between plasmons and molecules. Large electric field nanostructures have many promising applications in the areas of surface enhanced Raman spectroscopy, higher harmonic light generation, and enhanced uorescence. High throughput techniques that utilize simple nanofabrication are essential their advancement. We contribute to this effort by using a salting-out quenching technique and colloidal lithography to fabricate nanodisc dimers and cusp nanostructures that allow localization of large electric fields, and are comparable to structures fabricated by conventional lithography/milling techniques. Designer surface plasmons (DSPs) are
Design of a modular digital computer system

NASA Technical Reports Server (NTRS)

1973-01-01

A design tradeoff study is reported for a modular spaceborne computer system that is responsive to many mission types and phases. The computer uses redundancy to maximize reliability, and multiprocessing to maximize processing capacity. Fault detection and recovery features provide optimal reliability.
Bottom-up multiferroic nanostructures

NASA Astrophysics Data System (ADS)

Ren, Shenqiang

Multiferroic and especially magnetoelectric (ME) nanocomposites have received extensive attention due to their potential applications in spintronics, information storage and logic devices. The extrinsic ME coupling in composites is strain mediated via the interface between the piezoelectric and magnetostrictive components. However, the design and synthesis of controlled nanostructures with engineering enhanced coupling remain a significant challenge. The purpose of this thesis is to create nanostructures with very large interface densities and unique connectivities of the two phases in a controlled manner. Using inorganic solid state phase transformations and organic block copolymer self assembly methodologies, we present novel self assembly "bottom-up" techniques as a general protocol for the nanofabrication of multifunctional devices. First, Lead-Zirconium-Titanate/Nickel-Ferrite (PZT/NFO) vertical multilamellar nanostructures have been produced by crystallizing and decomposing a gel in a magnetic field below the Curie temperature of NFO. The ensuing microstructure is nanoscopically periodic and anisotropic. The wavelength of the PZT/NFO alternation, 25 nm, agrees within a factor of two with the theoretically estimated value. The macroscopic ferromagnetic and magnetoelectric responses correspond qualitatively and semi-quantitatively to the features of the nanostructure. The maximum of the field dependent magnetoelectric susceptibility equals 1.8 V/cm Oe. Second, a magnetoelectric composite with controlled nanostructures is synthesized using co-assembly of two inorganic precursors with a block copolymer. This solution processed material consists of hexagonally arranged ferromagnetic cobalt ferrite (CFO) nano-cylinders within a matrix of ferroelectric Lead-Zirconium-Titanate (PZT). The initial magnetic permeability of the self-assembled CFO/PZT nanocomposite changes by a factor of 5 through the application of 2.5 V. This work may have significant impact on the
Memristor-Based Computing Architecture: Design Methodologies and Circuit Techniques

DTIC Science & Technology

2013-03-01

MEMRISTOR-BASED COMPUTING ARCHITECTURE : DESIGN METHODOLOGIES AND CIRCUIT TECHNIQUES POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY...TECHNICAL REPORT 3. DATES COVERED (From - To) OCT 2010 – OCT 2012 4. TITLE AND SUBTITLE MEMRISTOR-BASED COMPUTING ARCHITECTURE : DESIGN METHODOLOGIES...schemes for a memristor-based reconfigurable architecture design have not been fully explored yet. Therefore, in this project, we investigated
Supramolecular Differentiation for Construction of Anisotropic Fullerene Nanostructures by Time-Programmed Control of Interfacial Growth.

PubMed

Bairi, Partha; Minami, Kosuke; Hill, Jonathan P; Nakanishi, Waka; Shrestha, Lok Kumar; Liu, Chao; Harano, Koji; Nakamura, Eiichi; Ariga, Katsuhiko

2016-09-27

Supramolecular assembly can be used to construct a wide variety of ordered structures by exploiting the cumulative effects of multiple noncovalent interactions. However, the construction of anisotropic nanostructures remains subject to some limitations. Here, we demonstrate the preparation of anisotropic fullerene-based nanostructures by supramolecular differentiation, which is the programmed control of multiple assembly strategies. We have carefully combined interfacial assembly and local phase separation phenomena. Two fullerene derivatives, PhH and C12H, were together formed into self-assembled anisotropic nanostructures by using this approach. This technique is applicable for the construction of anisotropic nanostructures without requiring complex molecular design or complicated methodology.
Design of a modular digital computer system, DRL 4. [for meeting future requirements of spaceborne computers

NASA Technical Reports Server (NTRS)

1972-01-01

The design is reported of an advanced modular computer system designated the Automatically Reconfigurable Modular Multiprocessor System, which anticipates requirements for higher computing capacity and reliability for future spaceborne computers. Subjects discussed include: an overview of the architecture, mission analysis, synchronous and nonsynchronous scheduling control, reliability, and data transmission.
Software For Computer-Aided Design Of Control Systems

NASA Technical Reports Server (NTRS)

Wette, Matthew

1994-01-01

Computer Aided Engineering System (CAESY) software developed to provide means to evaluate methods for dealing with users' needs in computer-aided design of control systems. Interpreter program for performing engineering calculations. Incorporates features of both Ada and MATLAB. Designed to be flexible and powerful. Includes internally defined functions, procedures and provides for definition of functions and procedures by user. Written in C language.
Engineering a nanostructured "super surface" with superhydrophobic and superkilling properties.

PubMed

Hasan, Jafar; Raj, Shammy; Yadav, Lavendra; Chatterjee, Kaushik

2015-05-12

We present a nanostructured "super surface" fabricated using a simple recipe based on deep reactive ion etching of a silicon wafer. The topography of the surface is inspired by the surface topographical features of dragonfly wings. The super surface is comprised of nanopillars 4 μm in height and 220 nm in diameter with random inter-pillar spacing. The surface exhibited superhydrophobicity with a static water contact angle of 154.0° and contact angle hysteresis of 8.3°. Bacterial studies revealed the bactericidal property of the surface against both gram negative ( Escherichia coli ) and gram positive ( Staphylococcus aureus ) strains through mechanical rupture of the cells by the sharp nanopillars. The cell viability on these nanostructured surfaces was nearly six-fold lower than on the unmodified silicon wafer. The nanostructured surface also killed mammalian cells (mouse osteoblasts) through mechanical rupture of the cell membrane. Thus, such nanostructured super surfaces could find applications for designing self-cleaning and anti-bacterial surfaces in diverse applications such as microfluidics, surgical instruments, pipelines and food packaging.
Nanostructured Conjugated Polymers for Energy-Related Applications beyond Solar Cells.

PubMed

Xie, Jian; Zhao, Cui-E; Lin, Zong-Qiong; Gu, Pei-Yang; Zhang, Qichun

2016-05-20

To meet the ever-increasing requirements for the next generation of sustainable and versatile energy-related devices, conjugated polymers, which have potential advantages over small molecules and inorganic materials, are among the most promising types of green candidates. The properties of conjugated polymers can be tuned through modification of the structure and incorporation of different functional moieties. In addition, superior performances can be achieved as a result of the advantages of nanostructures, such as their large surface areas and the shortened pathways for charge transfer. Therefore, nanostructured conjugated polymers with different properties can be obtained to be applied in different energy-related organic devices. This review focuses on the application and performance of the recently reported nanostructured conjugated polymers for high-performance devices, including rechargeable lithium batteries, microbial fuel cells (MFCs), thermoelectric generators, and photocatalytic systems. The design strategies, reaction mechanisms, advantages, and limitations of nanostructured conjugated polymers are further discussed in each section. Finally, possible routes to improve the performances of the current systems are also included in the conclusion. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The use of analytical models in human-computer interface design

NASA Technical Reports Server (NTRS)

Gugerty, Leo

1993-01-01

Recently, a large number of human-computer interface (HCI) researchers have investigated building analytical models of the user, which are often implemented as computer models. These models simulate the cognitive processes and task knowledge of the user in ways that allow a researcher or designer to estimate various aspects of an interface's usability, such as when user errors are likely to occur. This information can lead to design improvements. Analytical models can supplement design guidelines by providing designers rigorous ways of analyzing the information-processing requirements of specific tasks (i.e., task analysis). These models offer the potential of improving early designs and replacing some of the early phases of usability testing, thus reducing the cost of interface design. This paper describes some of the many analytical models that are currently being developed and evaluates the usefulness of analytical models for human-computer interface design. This paper will focus on computational, analytical models, such as the GOMS model, rather than less formal, verbal models, because the more exact predictions and task descriptions of computational models may be useful to designers. The paper also discusses some of the practical requirements for using analytical models in complex design organizations such as NASA.
Rational Design of Semiconductor Nanostructures for Functional Subcellular Interfaces.

PubMed

Parameswaran, Ramya; Tian, Bozhi

2018-05-15

One of the fundamental questions guiding research in the biological sciences is how cellular systems process complex physical and environmental cues and communicate with each other across multiple length scales. Importantly, aberrant signal processing in these systems can lead to diseases that can have devastating impacts on human lives. Biophysical studies in the past several decades have demonstrated that cells can respond to not only biochemical cues but also mechanical and electrical ones. Thus, the development of new materials that can both sense and modulate all of these pathways is necessary. Semiconducting nanostructures are an emerging class of discovery platforms and tools that can push the limits of our ability to modulate and sense biological behaviors for both fundamental research and clinical applications. These materials are of particular interest for interfacing with cellular systems due to their matched dimension with subcellular components (e.g., cytoskeletal filaments), and easily tunable properties in the electrical, optical and mechanical regimes. Rational design via traditional or new approaches, such as nanocasting and mesoscale chemical lithography, can allow us to control micro- and nanoscale features in nanowires to achieve new biointerfaces. Both processes endogenous to the target cell and properties of the material surface dictate the character of these interfaces. In this Account, we focus on (1) approaches for the rational design of semiconducting nanowires that exhibit unique structures for biointerfaces, (2) recent fundamental discoveries that yield robust biointerfaces at the subcellular level, (3) intracellular electrical and mechanical sensing, and (4) modulation of cellular behaviors through material topography and remote physical stimuli. In the first section, we discuss new approaches for the synthetic control of micro- and nanoscale features of these materials. In the second section, we focus on achieving biointerfaces with
Design of on-board parallel computer on nano-satellite

NASA Astrophysics Data System (ADS)

You, Zheng; Tian, Hexiang; Yu, Shijie; Meng, Li

2007-11-01

This paper provides one scheme of the on-board parallel computer system designed for the Nano-satellite. Based on the development request that the Nano-satellite should have a small volume, low weight, low power cost, and intelligence, this scheme gets rid of the traditional one-computer system and dual-computer system with endeavor to improve the dependability, capability and intelligence simultaneously. According to the method of integration design, it employs the parallel computer system with shared memory as the main structure, connects the telemetric system, attitude control system, and the payload system by the intelligent bus, designs the management which can deal with the static tasks and dynamic task-scheduling, protect and recover the on-site status and so forth in light of the parallel algorithms, and establishes the fault diagnosis, restoration and system restructure mechanism. It accomplishes an on-board parallel computer system with high dependability, capability and intelligence, a flexible management on hardware resources, an excellent software system, and a high ability in extension, which satisfies with the conception and the tendency of the integration electronic design sufficiently.
Computational Enzyme Design: Advances, hurdles and possible ways forward

PubMed Central

Linder, Mats

2012-01-01

This mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Finally, a molecular dynamics-based approach for evaluating and refining computational designs is presented. PMID:24688650
Powering the programmed nanostructure and function of gold nanoparticles with catenated DNA machines

NASA Astrophysics Data System (ADS)

Elbaz, Johann; Cecconello, Alessandro; Fan, Zhiyuan; Govorov, Alexander O.; Willner, Itamar

2013-06-01

DNA nanotechnology is a rapidly developing research area in nanoscience. It includes the development of DNA machines, tailoring of DNA nanostructures, application of DNA nanostructures for computing, and more. Different DNA machines were reported in the past and DNA-guided assembly of nanoparticles represents an active research effort in DNA nanotechnology. Several DNA-dictated nanoparticle structures were reported, including a tetrahedron, a triangle or linear nanoengineered nanoparticle structures; however, the programmed, dynamic reversible switching of nanoparticle structures and, particularly, the dictated switchable functions emerging from the nanostructures, are missing elements in DNA nanotechnology. Here we introduce DNA catenane systems (interlocked DNA rings) as molecular DNA machines for the programmed, reversible and switchable arrangement of different-sized gold nanoparticles. We further demonstrate that the machine-powered gold nanoparticle structures reveal unique emerging switchable spectroscopic features, such as plasmonic coupling or surface-enhanced fluorescence.
Computer graphics application in the engineering design integration system

NASA Technical Reports Server (NTRS)

Glatt, C. R.; Abel, R. W.; Hirsch, G. N.; Alford, G. E.; Colquitt, W. N.; Stewart, W. A.

1975-01-01

The computer graphics aspect of the Engineering Design Integration (EDIN) system and its application to design problems were discussed. Three basic types of computer graphics may be used with the EDIN system for the evaluation of aerospace vehicles preliminary designs: offline graphics systems using vellum-inking or photographic processes, online graphics systems characterized by direct coupled low cost storage tube terminals with limited interactive capabilities, and a minicomputer based refresh terminal offering highly interactive capabilities. The offline line systems are characterized by high quality (resolution better than 0.254 mm) and slow turnaround (one to four days). The online systems are characterized by low cost, instant visualization of the computer results, slow line speed (300 BAUD), poor hard copy, and the early limitations on vector graphic input capabilities. The recent acquisition of the Adage 330 Graphic Display system has greatly enhanced the potential for interactive computer aided design.

DNA Nanostructures as Models for Evaluating the Role of Enthalpy and Entropy in Polyvalent Binding

PubMed Central

Nangreave, Jeanette; Yan, Hao; Liu, Yan

2011-01-01

DNA nanotechnology allows the design and construction of nano-scale objects that have finely tuned dimensions, orientation, and structure with remarkable ease and convenience. Synthetic DNA nanostructures can be precisely engineered to model a variety of molecules and systems, providing the opportunity to probe very subtle biophysical phenomena. In this study, several such synthetic DNA nanostructures were designed to serve as models to study the binding behavior of polyvalent molecules and gain insight into how small changes to the ligand/receptor scaffolds, intended to vary their conformational flexibility, will affect their association equilibrium. This approach has yielded a quantitative identification of the roles of enthalpy and entropy in the affinity of polyvalent DNA nanostructure interactions, which exhibit an intriguing compensating effect. PMID:21381740
Self-assembled peptide-based nanostructures: Smart nanomaterials toward targeted drug delivery.

PubMed

Habibi, Neda; Kamaly, Nazila; Memic, Adnan; Shafiee, Hadi

2016-02-01

Self-assembly of peptides can yield an array of well-defined nanostructures that are highly attractive nanomaterials for many biomedical applications such as drug delivery. Some of the advantages of self-assembled peptide nanostructures over other delivery platforms include their chemical diversity, biocompatibility, high loading capacity for both hydrophobic and hydrophilic drugs, and their ability to target molecular recognition sites. Furthermore, these self-assembled nanostructures could be designed with novel peptide motifs, making them stimuli-responsive and achieving triggered drug delivery at disease sites. The goal of this work is to present a comprehensive review of the most recent studies on self-assembled peptides with a focus on their "smart" activity for formation of targeted and responsive drug-delivery carriers.
Preparation of Salicylic Acid Loaded Nanostructured Lipid Carriers Using Box-Behnken Design: Optimization, Characterization and Physicochemical Stability.

PubMed

Pantub, Ketrawee; Wongtrakul, Paveena; Janwitayanuchit, Wicharn

2017-01-01

Nanostructured lipid carriers loaded salicylic acid (NLCs-SA) were developed and optimized by using the design of experiment (DOE). Box-Behnken experimental design of 3-factor, 3-level was applied for optimization of nanostructured lipid carriers prepared by emulsification method. The independent variables were total lipid concentration (X 1 ), stearic acid to Lexol ® GT-865 ratio (X 2 ) and Tween ® 80 concentration (X 3 ) while the particle size was a dependent variable (Y). Box-Behnken design could create 15 runs by setting response optimizer as minimum particle size. The optimized formulation consists of 10% of total lipid, a mixture of stearic acid and capric/caprylic triglyceride at a 4:1 ratio, and 25% of Tween ® 80 which the formulation was applied in order to prepare in both loaded and unloaded salicylic acid. After preparation for 24 hours, the particle size of loaded and unloaded salicylic acid was 189.62±1.82 nm and 369.00±3.37 nm, respectively. Response surface analysis revealed that the amount of total lipid is a main factor which could affect the particle size of lipid carriers. In addition, the stability studies showed a significant change in particle size by time. Compared to unloaded nanoparticles, the addition of salicylic acid into the particles resulted in physically stable dispersion. After 30 days, sedimentation of unloaded lipid carriers was clearly observed. Absolute values of zeta potential of both systems were in the range of 3 to 18 mV since non-ionic surfactant, Tween ® 80, providing steric barrier was used. Differential thermograms indicated a shift of endothermic peak from 55°C for α-crystal form in freshly prepared samples to 60°C for β´-crystal form in storage samples. It was found that the presence of capric/caprylic triglyceride oil could enhance encapsulation efficiency up to 80% and facilitate stability of the particles.
Kinetically controlled transition from disordered aggregates to ordered lattices of a computationally designed peptide sequence.

NASA Astrophysics Data System (ADS)

Tian, Yu; Zhang, Huixi; Kiick, Kristi; Saven, Jeffrey; Pochan, Darrin

Peptides with well-defined secondary-structures have the ability to exhibit specific, local shapes, which enables the design of complex nanostructures through intermolecular assembly. Our computationally designed coiled-coil homotetrameric peptide building block can self-assemble into 2-D nanomaterial lattices with predetermined symmetries by control of the coiled-coil bundle exterior amino acid residues. And the assemblies can be controlled kinetically. Firstly, the solution pH influences the assembly by affecting the external charged state of peptide bundles which can lead the bundles to be either repulsive or attractive to each other. At room temperature when peptides are under the least charged pH conditions, disordered aggregates are formed that slowly transformed into the desired 2-D lattice structures over long periods of time (weeks). Around neutral pH, even subtle charge differences that come from small pH changes can have an influence on the thickness of afterwards formed plates. Secondly, the solution temperature can largely eliminate the formation of disordered aggregates and accelerate the assembling of matured, desired nanomaterial plates by providing extra energy for the organization process of assembly building blocks. The ability to control the assembly process kinetically makes our peptide plate assemblies very promising templates for further applications to develop inorganic-organic hybrid materials. Funding acknowledged from NSF DMREF program under awards DMR-1234161 and DMR-1235084.
Computational Aerodynamic Simulations of a Spacecraft Cabin Ventilation Fan Design

NASA Technical Reports Server (NTRS)

Tweedt, Daniel L.

2010-01-01

Quieter working environments for astronauts are needed if future long-duration space exploration missions are to be safe and productive. Ventilation and payload cooling fans are known to be dominant sources of noise, with the International Space Station being a good case in point. To address this issue cost effectively, early attention to fan design, selection, and installation has been recommended, leading to an effort by NASA to examine the potential for small-fan noise reduction by improving fan aerodynamic design. As a preliminary part of that effort, the aerodynamics of a cabin ventilation fan designed by Hamilton Sundstrand has been simulated using computational fluid dynamics codes, and the computed solutions analyzed to quantify various aspects of the fan aerodynamics and performance. Four simulations were performed at the design rotational speed: two at the design flow rate and two at off-design flow rates. Following a brief discussion of the computational codes, various aerodynamic- and performance-related quantities derived from the computed flow fields are presented along with relevant flow field details. The results show that the computed fan performance is in generally good agreement with stated design goals.
Principled design for an integrated computational environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Disessa, A.A.

Boxer is a computer language designed to be the base of an integrated computational environment providing a broad array of functionality -- from text editing to programming -- for naive and novice users. It stands in the line of Lisp inspired languages (Lisp, Logo, Scheme), but differs from these in achieving much of its understandability from pervasive use of a spatial metaphor reinforced through suitable graphics. This paper describes a set of learnability and understandability issues first and then uses them to motivate design decisions made concerning Boxer and the environment in which it is embedded.
Computational design of RNAs with complex energy landscapes.

PubMed

Höner zu Siederdissen, Christian; Hammer, Stefan; Abfalter, Ingrid; Hofacker, Ivo L; Flamm, Christoph; Stadler, Peter F

2013-12-01

RNA has become an integral building material in synthetic biology. Dominated by their secondary structures, which can be computed efficiently, RNA molecules are amenable not only to in vitro and in vivo selection, but also to rational, computation-based design. While the inverse folding problem of constructing an RNA sequence with a prescribed ground-state structure has received considerable attention for nearly two decades, there have been few efforts to design RNAs that can switch between distinct prescribed conformations. We introduce a user-friendly tool for designing RNA sequences that fold into multiple target structures. The underlying algorithm makes use of a combination of graph coloring and heuristic local optimization to find sequences whose energy landscapes are dominated by the prescribed conformations. A flexible interface allows the specification of a wide range of design goals. We demonstrate that bi- and tri-stable "switches" can be designed easily with moderate computational effort for the vast majority of compatible combinations of desired target structures. RNAdesign is freely available under the GPL-v3 license. Copyright © 2013 Wiley Periodicals, Inc.
Computational manufacturing as a bridge between design and production.

PubMed

Tikhonravov, Alexander V; Trubetskov, Michael K

2005-11-10

Computational manufacturing of optical coatings is a research area that can be placed between theoretical designing and practical manufacturing in the same way that computational physics can be placed between theoretical and experimental physics. Investigations in this area have been performed for more than 30 years under the name of computer simulation of manufacturing and monitoring processes. Our goal is to attract attention to the increasing importance of computational manufacturing at the current state of the art in the design and manufacture of optical coatings and to demonstrate possible applications of this research tool.
Computational manufacturing as a bridge between design and production

NASA Astrophysics Data System (ADS)

Tikhonravov, Alexander V.; Trubetskov, Michael K.

2005-11-01

Computational manufacturing of optical coatings is a research area that can be placed between theoretical designing and practical manufacturing in the same way that computational physics can be placed between theoretical and experimental physics. Investigations in this area have been performed for more than 30 years under the name of computer simulation of manufacturing and monitoring processes. Our goal is to attract attention to the increasing importance of computational manufacturing at the current state of the art in the design and manufacture of optical coatings and to demonstrate possible applications of this research tool.
Titanate and titania nanostructures and nanostructure assemblies, and methods of making same

DOEpatents

Wong, Stanislaus S.; Mao, Yuanbing

2016-06-14

The invention relates to nanomaterial's and assemblies including, a micrometer-scale spherical aggregate comprising: a plurality of one-dimensional nanostructures comprising titanium and oxygen, wherein the one-dimensional nanostructures radiate from a hollow central core thereby forming a spherical aggregate.
Titanate and titania nanostructures and nanostructure assemblies, and methods of making same

DOEpatents

Wong, Stanislaus S; Mao, Yuanbing

2013-05-14

The invention relates to nanomaterials and assemblies including, a micrometer-scale spherical aggregate comprising: a plurality of one-dimensional nanostructures comprising titanium and oxygen, wherein the one-dimensional nanostructures radiate from a hollow central core thereby forming a spherical aggregate.
Overview of Design, Lifecycle, and Safety for Computer-Based Systems

NASA Technical Reports Server (NTRS)

Torres-Pomales, Wilfredo

2015-01-01

This document describes the need and justification for the development of a design guide for safety-relevant computer-based systems. This document also makes a contribution toward the design guide by presenting an overview of computer-based systems design, lifecycle, and safety.
CFD Analysis and Design Optimization Using Parallel Computers

NASA Technical Reports Server (NTRS)

Martinelli, Luigi; Alonso, Juan Jose; Jameson, Antony; Reuther, James

1997-01-01

A versatile and efficient multi-block method is presented for the simulation of both steady and unsteady flow, as well as aerodynamic design optimization of complete aircraft configurations. The compressible Euler and Reynolds Averaged Navier-Stokes (RANS) equations are discretized using a high resolution scheme on body-fitted structured meshes. An efficient multigrid implicit scheme is implemented for time-accurate flow calculations. Optimum aerodynamic shape design is achieved at very low cost using an adjoint formulation. The method is implemented on parallel computing systems using the MPI message passing interface standard to ensure portability. The results demonstrate that, by combining highly efficient algorithms with parallel computing, it is possible to perform detailed steady and unsteady analysis as well as automatic design for complex configurations using the present generation of parallel computers.
Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications.

PubMed

Bian, Yuemin; Xie, Xiang-Qun Sean

2018-04-09

Fragment-based drug design (FBDD) has become an effective methodology for drug development for decades. Successful applications of this strategy brought both opportunities and challenges to the field of Pharmaceutical Science. Recent progress in the computational fragment-based drug design provide an additional approach for future research in a time- and labor-efficient manner. Combining multiple in silico methodologies, computational FBDD possesses flexibilities on fragment library selection, protein model generation, and fragments/compounds docking mode prediction. These characteristics provide computational FBDD superiority in designing novel and potential compounds for a certain target. The purpose of this review is to discuss the latest advances, ranging from commonly used strategies to novel concepts and technologies in computational fragment-based drug design. Particularly, in this review, specifications and advantages are compared between experimental and computational FBDD, and additionally, limitations and future prospective are discussed and emphasized.
Computer-aided drug design at Boehringer Ingelheim

NASA Astrophysics Data System (ADS)

Muegge, Ingo; Bergner, Andreas; Kriegl, Jan M.

2017-03-01

Computer-Aided Drug Design (CADD) is an integral part of the drug discovery endeavor at Boehringer Ingelheim (BI). CADD contributes to the evaluation of new therapeutic concepts, identifies small molecule starting points for drug discovery, and develops strategies for optimizing hit and lead compounds. The CADD scientists at BI benefit from the global use and development of both software platforms and computational services. A number of computational techniques developed in-house have significantly changed the way early drug discovery is carried out at BI. In particular, virtual screening in vast chemical spaces, which can be accessed by combinatorial chemistry, has added a new option for the identification of hits in many projects. Recently, a new framework has been implemented allowing fast, interactive predictions of relevant on and off target endpoints and other optimization parameters. In addition to the introduction of this new framework at BI, CADD has been focusing on the enablement of medicinal chemists to independently perform an increasing amount of molecular modeling and design work. This is made possible through the deployment of MOE as a global modeling platform, allowing computational and medicinal chemists to freely share ideas and modeling results. Furthermore, a central communication layer called the computational chemistry framework provides broad access to predictive models and other computational services.
Computer Simulation For Design Of TWT's

NASA Technical Reports Server (NTRS)

Bartos, Karen F.; Fite, E. Brian; Shalkhauser, Kurt A.; Sharp, G. Richard

1992-01-01

A three-dimensional finite-element analytical technique facilitates design and fabrication of traveling-wave-tube (TWT) slow-wave structures. Used to perform thermal and mechanical analyses of TWT designed with variety of configurations, geometries, and materials. Using three-dimensional computer analysis, designer able to simulate building and testing of TWT, with consequent substantial saving of time and money. Technique enables detailed look into operation of traveling-wave tubes to help improve performance for future communications systems.
Computer analysis speeds corrugated horn design

NASA Technical Reports Server (NTRS)

Loefer, G. R.; Newton, J. M.; Schuchardt, J. M.; Dees, J. W.

1976-01-01

A computer analysis program is developed for selecting the optimum flare angle and horn length of a corrugated horn design, the horn diameter, and the radiation pattern, before resorting to machining operations. The calculated antenna pattern is best suited to narrowband designs, and averaging of the E and H planes is recommended for wideband work. The program language used is BASIC. Some design examples are provided with representative data, printouts, and a rundown of the equations programmed.
Structured Design Language for Computer Programs

NASA Technical Reports Server (NTRS)

Pace, Walter H., Jr.

1986-01-01

Box language used at all stages of program development. Developed to provide improved productivity in designing, coding, and maintaining computer programs. BOX system written in FORTRAN 77 for batch execution.
Self-replication: Nanostructure evolution

NASA Astrophysics Data System (ADS)

Simmel, Friedrich C.

2017-10-01

DNA origami nanostructures were utilized to replicate a seed pattern that resulted in the growth of populations of nanostructures. Exponential growth could be controlled by environmental conditions depending on the preferential requirements of each population.
One-dimensional CdS nanostructures: a promising candidate for optoelectronics.

PubMed

Li, Huiqiao; Wang, Xi; Xu, Junqi; Zhang, Qi; Bando, Yoshio; Golberg, Dmitri; Ma, Ying; Zhai, Tianyou

2013-06-11

As a promising candidate for optoelectronics, one-dimensional CdS nanostructures have drawn great scientific and technical interest due to their interesting fundamental properties and possibilities of utilization in novel promising optoelectronical devices with augmented performance and functionalities. This progress report highlights a selection of important topics pertinent to optoelectronical applications of one-dimensional CdS nanostructures over the last five years. This article begins with the description of rational design and controlled synthesis of CdS nanostructure arrays, alloyed nanostructucures and kinked nanowire superstructures, and then focuses on the optoelectronical properties, and applications including cathodoluminescence, lasers, light-emitting diodes, waveguides, field emitters, logic circuits, memory devices, photodetectors, gas sensors, photovoltaics and photoelectrochemistry. Finally, the general challenges and the potential future directions of this exciting area of research are highlighted. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Designing integrated computational biology pipelines visually.

PubMed

Jamil, Hasan M

2013-01-01

The long-term cost of developing and maintaining a computational pipeline that depends upon data integration and sophisticated workflow logic is too high to even contemplate "what if" or ad hoc type queries. In this paper, we introduce a novel application building interface for computational biology research, called VizBuilder, by leveraging a recent query language called BioFlow for life sciences databases. Using VizBuilder, it is now possible to develop ad hoc complex computational biology applications at throw away costs. The underlying query language supports data integration and workflow construction almost transparently and fully automatically, using a best effort approach. Users express their application by drawing it with VizBuilder icons and connecting them in a meaningful way. Completed applications are compiled and translated as BioFlow queries for execution by the data management system LifeDB, for which VizBuilder serves as a front end. We discuss VizBuilder features and functionalities in the context of a real life application after we briefly introduce BioFlow. The architecture and design principles of VizBuilder are also discussed. Finally, we outline future extensions of VizBuilder. To our knowledge, VizBuilder is a unique system that allows visually designing computational biology pipelines involving distributed and heterogeneous resources in an ad hoc manner.
Symplectic molecular dynamics simulations on specially designed parallel computers.

PubMed

Borstnik, Urban; Janezic, Dusanka

2005-01-01

We have developed a computer program for molecular dynamics (MD) simulation that implements the Split Integration Symplectic Method (SISM) and is designed to run on specialized parallel computers. The MD integration is performed by the SISM, which analytically treats high-frequency vibrational motion and thus enables the use of longer simulation time steps. The low-frequency motion is treated numerically on specially designed parallel computers, which decreases the computational time of each simulation time step. The combination of these approaches means that less time is required and fewer steps are needed and so enables fast MD simulations. We study the computational performance of MD simulation of molecular systems on specialized computers and provide a comparison to standard personal computers. The combination of the SISM with two specialized parallel computers is an effective way to increase the speed of MD simulations up to 16-fold over a single PC processor.
Computer Aided Enzyme Design and Catalytic Concepts

PubMed Central

Frushicheva, Maria P.; Mills, Matthew J. L.; Schopf, Patrick; Singh, Manoj K.; Warshel, Arieh

2014-01-01

Gaining a deeper understanding of enzyme catalysis is of great practical and fundamental importance. Over the years it has become clear that despite advances made in experimental mutational studies, a quantitative understanding of enzyme catalysis will not be possible without the use of computer modeling approaches. While we believe that electrostatic preorganization is by far the most important catalytic factor, convincing the wider scientific community of this may require the demonstration of effective rational enzyme design. Here we make the point that the main current advances in enzyme design are basically advances in directed evolution and that computer aided enzyme design must involve approaches that can reproduce catalysis in well-defined test cases. Such an approach is provided by the empirical valence bond method. PMID:24814389
Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: design rules for true single-molecule nanostructures.

PubMed

Thompson, Damien; Hermes, Jens P; Quinn, Aidan J; Mayor, Marcel

2012-04-24

The formation of true single-molecule complexes between organic ligands and nanoparticles is challenging and requires careful design of molecules with size, shape, and chemical properties tailored for the specific nanoparticle. Here we use computer simulations to describe the atomic-scale structure, dynamics, and energetics of ligand-mediated synthesis and interlinking of 1 nm gold clusters. The models help explain recent experimental results and provide insight into how multidentate thioether dendrimers can be employed for synthesis of true single-ligand-nanoparticle complexes and also nanoparticle-molecule-nanoparticle "dumbbell" nanostructures. Electronic structure calculations reveal the individually weak thioether-gold bonds (325 ± 36 meV), which act collectively through the multivalent (multisite) anchoring to stabilize the ligand-nanoparticle complex (∼7 eV total binding energy) and offset the conformational and solvation penalties involved in this "wrapping" process. Molecular dynamics simulations show that the dendrimer is sufficiently flexible to tolerate the strained conformations and desolvation penalties involved in fully wrapping the particle, quantifying the subtle balance between covalent anchoring and noncovalent wrapping in the assembly of ligand-nanoparticle complexes. The computed preference for binding of a single dendrimer to the cluster reveals the prohibitively high dendrimer desolvation barrier (1.5 ± 0.5 eV) to form the alternative double-dendrimer structure. Finally, the models show formation of an additional electron transfer channel between nitrogen and gold for ligands with a central pyridine unit, which gives a stiff binding orientation and explains the recently measured larger interparticle distances for particles synthesized and interlinked using linear ligands with a central pyridine rather than a benzene moiety. The findings stress the importance of organic-inorganic interactions, the control of which is central to the
Tuning Superhydrophobic Nanostructures To Enhance Jumping-Droplet Condensation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mulroe, Megan D.; Srijanto, Bernadeta R.; Ahmadi, S. Farzad

It was recently discovered that condensation growing on a nanostructured superhydrophobic surface can spontaneously jump off the surface, triggered by naturally occurring coalescence events. Many reports have observed that droplets must grow to a size of order 10 μm before jumping is enabled upon coalescence; however, it remains unknown how the critical jumping size relates to the topography of the underlying nanostructure. Here, we characterize the dynamic behavior of condensation growing on six different superhydrophobic nanostructures, where the topography of the nanopillars was systematically varied. The critical jumping diameter was observed to be highly dependent upon the height, diameter, andmore » pitch of the nanopillars: tall and slender nanopillars promoted 2 μm jumping droplets while short and stout nanopillars increased the critical size to over 20 μm. The topology of each surface is successfully correlated to the critical jumping diameter by constructing an energetic model that predicts how large a nucleating embryo needs to grow before it can inflate into the air with an apparent contact angle large enough for jumping. Furthermore, by extending our model to consider any possible surface, it is revealed that properly designed nanostructures should enable nanometric jumping droplets, which would further enhance jumping droplet condensers for heat transfer, anti-fogging, and anti-frosting applications.« less
Tuning Superhydrophobic Nanostructures To Enhance Jumping-Droplet Condensation

DOE PAGES

Mulroe, Megan D.; Srijanto, Bernadeta R.; Ahmadi, S. Farzad; ...

2017-07-18

It was recently discovered that condensation growing on a nanostructured superhydrophobic surface can spontaneously jump off the surface, triggered by naturally occurring coalescence events. Many reports have observed that droplets must grow to a size of order 10 μm before jumping is enabled upon coalescence; however, it remains unknown how the critical jumping size relates to the topography of the underlying nanostructure. Here, we characterize the dynamic behavior of condensation growing on six different superhydrophobic nanostructures, where the topography of the nanopillars was systematically varied. The critical jumping diameter was observed to be highly dependent upon the height, diameter, andmore » pitch of the nanopillars: tall and slender nanopillars promoted 2 μm jumping droplets while short and stout nanopillars increased the critical size to over 20 μm. The topology of each surface is successfully correlated to the critical jumping diameter by constructing an energetic model that predicts how large a nucleating embryo needs to grow before it can inflate into the air with an apparent contact angle large enough for jumping. Furthermore, by extending our model to consider any possible surface, it is revealed that properly designed nanostructures should enable nanometric jumping droplets, which would further enhance jumping droplet condensers for heat transfer, anti-fogging, and anti-frosting applications.« less
Resonance properties of Ag-ZnO nanostructures at terahertz frequencies

PubMed Central

Sanchez, John E.; Díaz de León, Ramón; Mendoza-Santoyo, Fernando; González, Gabriel; José-Yacaman, Miguel; Ponce, Arturo; González, Francisco Javier

2015-01-01

Nanoantennas have been fabricated by scaling down traditional antenna designs using nanolithographic techniques and testing them at different optical wavelengths, these particular nanoantennas have shown responses in a broad range of frequencies going from visible wavelengths to the range of the terahertz. Some self-assembled nanostructures exist that exhibit similar shapes and properties to those of traditional antenna structures. In this work the emission and absorption properties of self-assembled nanostructures made of zinc oxide nanorods on silver nanowires, which resemble traditional dipole antennas, were measured and simulated in order to test their antenna performance. These structures show resonant properties in the 10-120 THz range, with the main resonance at 60 THz. The radiation pattern of these nanostructures was also obtained by numerical simulations, and it is shown that it can be tailored to increase or decrease its directivity as a function of the location of the energy source of excitation. Experimental measurements were performed by Raman spectroscopy and Fourier Transform Infrared Spectroscopy (FTIR) in order to show existing vibrational frequencies at the resonant frequencies of the nanostructures, measurements were made from ~9 to 103 THz and the results were in agreement with the simulations. These characteristics make these metal-semiconductor Ag/ZnO nanostructures useful as self-assembled nanoantennas in applications such as terahertz spectroscopy and sensing at terahertz frequencies. PMID:26406710
Modified pulse laser deposition of Ag nanostructure as intermediate for low temperature Cu-Cu bonding

NASA Astrophysics Data System (ADS)

Liu, Ziyu; Cai, Jian; Wang, Qian; Liu, Lei; Zou, Guisheng

2018-07-01

To lower the Cu-Cu bonding temperature and save the time of the bonding process applied for 3D integration, the Ag nanostructure deposited by pulsed laser deposition (PLD) was designed and decorated on the Cu pads as intermediate. Influences of different PLD process parameters on the designed Ag nanostructure morphology were investigated in this work. The large nanoparticles (NP) defects, NPs coverage rate on the Cu pad, and NPs size distribution were adopted to evaluate the PLD parameters based on the NPs morphology observation and the Cu-Cu bonding quality. The medium laser power of 0.8 W, smaller distance between target and substrate, and protective container should be applied in the optimized PLD to obtain the Ag nanostructure. Then a loose 3D mesh Ag nanostructure consisted of the protrusions and grooves was formed and the morphology observation proved the nanostructure deposition mechanism was contributed to the block of nano-film nucleation and nanoparticles absorption. Finally, the relationship between the bonding temperature and pressure suitable for the Ag nanostructure had been determined based on shear strength and interface observation. The results revealed the combination of higher bonding temperature (250 °C) and lower pressure (20 MPa), or lower bonding temperature (180 °C) and higher pressure (50 MPa) can both achieve the bonding process with the short bonding time of 5 min and annealing at 200 °C for 25 min in vacuum furnace.
Geometric modeling for computer aided design

NASA Technical Reports Server (NTRS)

Schwing, James L.

1992-01-01

The goal was the design and implementation of software to be used in the conceptual design of aerospace vehicles. Several packages and design studies were completed, including two software tools currently used in the conceptual level design of aerospace vehicles. These tools are the Solid Modeling Aerospace Research Tool (SMART) and the Environment for Software Integration and Execution (EASIE). SMART provides conceptual designers with a rapid prototyping capability and additionally provides initial mass property analysis. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand alone analysis codes that result in the streamlining of the exchange of data between programs, reducing errors and improving efficiency.
Metamodels for Computer-Based Engineering Design: Survey and Recommendations

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.; Peplinski, Jesse; Koch, Patrick N.; Allen, Janet K.

1997-01-01

The use of statistical techniques to build approximations of expensive computer analysis codes pervades much of todays engineering design. These statistical approximations, or metamodels, are used to replace the actual expensive computer analyses, facilitating multidisciplinary, multiobjective optimization and concept exploration. In this paper we review several of these techniques including design of experiments, response surface methodology, Taguchi methods, neural networks, inductive learning, and kriging. We survey their existing application in engineering design and then address the dangers of applying traditional statistical techniques to approximate deterministic computer analysis codes. We conclude with recommendations for the appropriate use of statistical approximation techniques in given situations and how common pitfalls can be avoided.
Composite materials formed with anchored nanostructures

DOEpatents

Seals, Roland D; Menchhofer, Paul A; Howe, Jane Y; Wang, Wei

2015-03-10

A method of forming nano-structure composite materials that have a binder material and a nanostructure fiber material is described. A precursor material may be formed using a mixture of at least one metal powder and anchored nanostructure materials. The metal powder mixture may be (a) Ni powder and (b) NiAl powder. The anchored nanostructure materials may comprise (i) NiAl powder as a support material and (ii) carbon nanotubes attached to nanoparticles adjacent to a surface of the support material. The process of forming nano-structure composite materials typically involves sintering the mixture under vacuum in a die. When Ni and NiAl are used in the metal powder mixture Ni.sub.3Al may form as the binder material after sintering. The mixture is sintered until it consolidates to form the nano-structure composite material.
Integrating computer programs for engineering analysis and design

NASA Technical Reports Server (NTRS)

Wilhite, A. W.; Crisp, V. K.; Johnson, S. C.

1983-01-01

The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.
Achievements and Challenges in Computational Protein Design.

PubMed

Samish, Ilan

2017-01-01

Computational protein design (CPD), a yet evolving field, includes computer-aided engineering for partial or full de novo designs of proteins of interest. Designs are defined by a requested structure, function, or working environment. This chapter describes the birth and maturation of the field by presenting 101 CPD examples in a chronological order emphasizing achievements and pending challenges. Integrating these aspects presents the plethora of CPD approaches with the hope of providing a "CPD 101". These reflect on the broader structural bioinformatics and computational biophysics field and include: (1) integration of knowledge-based and energy-based methods, (2) hierarchical designated approach towards local, regional, and global motifs and the integration of high- and low-resolution design schemes that fit each such region, (3) systematic differential approaches towards different protein regions, (4) identification of key hot-spot residues and the relative effect of remote regions, (5) assessment of shape-complementarity, electrostatics and solvation effects, (6) integration of thermal plasticity and functional dynamics, (7) negative design, (8) systematic integration of experimental approaches, (9) objective cross-assessment of methods, and (10) successful ranking of potential designs. Future challenges also include dissemination of CPD software to the general use of life-sciences researchers and the emphasis of success within an in vivo milieu. CPD increases our understanding of protein structure and function and the relationships between the two along with the application of such know-how for the benefit of mankind. Applied aspects range from biological drugs, via healthier and tastier food products to nanotechnology and environmentally friendly enzymes replacing toxic chemicals utilized in the industry.
Nuclear nanoprobe development for visualization of three-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Takai, M.; Abo, S.; Wakaya, F.; Kikuchi, T.; Sawaragi, H.

2007-08-01

A nanoprobe system, having a liquid metal ion source with a compact electrostatic accelerating column with a maximum accelerating voltage of 200 kV and an ultra high vacuum chamber, giving rise to the enhanced sensitivity because of the large scattering cross-section, has been designed for analysis of nanostructures. The focusing performance of the probes down to 10 nm was measured and compared with the simulation. Time-of-flight (TOF) RBS using a micro channel plate (MCP) further increases the sensitivity because of the increase in acceptance angle, which realizes the visualization of nanostructures with a beam spot diameter less than 10 nm with less probe damage.
Risk analysis of computer system designs

NASA Technical Reports Server (NTRS)

Vallone, A.

1981-01-01

Adverse events during implementation can affect final capabilities, schedule and cost of a computer system even though the system was accurately designed and evaluated. Risk analysis enables the manager to forecast the impact of those events and to timely ask for design revisions or contingency plans before making any decision. This paper presents a structured procedure for an effective risk analysis. The procedure identifies the required activities, separates subjective assessments from objective evaluations, and defines a risk measure to determine the analysis results. The procedure is consistent with the system design evaluation and enables a meaningful comparison among alternative designs.
Computer programs for axial flow compressor design

NASA Technical Reports Server (NTRS)

Carmody, R. H.; Creveling, H. F.

1969-01-01

Four computer programs examine effects of design parameters and indicate areas for research of multistage axial flow compressors. The programs provide information on velocity diagrams and stage-by-stage performance calculation, radial equilibrium of flow, radial distribution of total pressure, and off-design performance calculation.
Hierarchical concave layered triangular PtCu alloy nanostructures: rational integration of dendritic nanostructures for efficient formic acid electrooxidation.

PubMed

Wu, Fengxia; Lai, Jianping; Zhang, Ling; Niu, Wenxin; Lou, Baohua; Luque, Rafael; Xu, Guobao

2018-05-08

The rational construction of multi-dimensional layered noble metal nanostructures is a great challenge since noble metals are not layer-structured materials. Herein, we report a one-pot hydrothermal synthetic method for PtCu hierarchical concave layered triangular (HCLT) nanostructures using dl-carnitine, KI, poly(vinylpyrrolidone), CuCl2, and H2PtCl6. The PtCu HCLT nanostructure is comprised of multilayered triangular dendrites. Its layer number is tunable by changing dl-carnitine concentrations, and the concavity/convexity of the PtCu triangle nanostructures is tunable by changing the H2PtCl6/CuCl2 ratio or KI concentrations. Hierarchical trigonal bipyramid nanoframes are also obtained under certain conditions. Because of its advantageous nanostructure and bimetallic synergetic effect, the obtained PtCu HCLT nanostructure exhibits enhanced electrocatalytic activity and prolonged stability to formic acid oxidation compared to commercial Pt black, Pd/C and some other nanostructures.
New science at the meso frontier: Dense nanostructure architectures for electrical energy storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rubloff, Gary W.; Lee, Sang Bok

2015-08-01

We examine the scientific challenges and opportunities presented at the mesoscale in the context of employing nanostructures for electrical energy storage. In order to capitalize on the power–energy and charge/discharge cycling stability that nanostructures offer, massive assemblies of nanostructures in networks must be organized into dense mesoscale architectures. With a fairly wide variety of architectures already demonstrated and more expected, the essential questions are whether regular or random 3-D arrangements are favorable, which embodiments should show best performance, and at what dimensional scaling? Dense packing raises challenging new questions about ion available and transport in highly confined electrolyte nanoenvironments, asmore » well as designs to balance ion transport in electrolyte and electron transport in electrodes over distances long compared to nanostructure characteristic dimensions. Architectures and dimensional scaling present important issues of defects, statistical outliers, and their dynamic evolution, which in turn control degradation and failure phenomena. These considerations promise a rich set of mesoscale scientific challenges crucial to exploiting storage nanostructures in mesoscale architectures for energy storage.« less
Computers, Children & Repetitive Stress Injuries: The Effects of Computer Workstation Design on Children's Posture

ERIC Educational Resources Information Center

Maxwell, Lorraine E.; Laeser, Kathryn L.

2007-01-01

As adult office workers' use of computers has increased, the incidence of computer-related musculoskeletal complaints and injuries has also increased. Although the use of computers in the classroom is increasing, little attention has been paid by educators, furniture manufacturers, or researchers to the ergonomic design issues of educational…
Children Learning from Artfully Designed, Three-Dimensional Computer Animation

ERIC Educational Resources Information Center

Ju, Yoomi Choi; Cifuentes, Lauren

2002-01-01

An artfully designed, 3-D computer-generated video story was created to demonstrate the mixing of primary colors to obtain secondary colors. Two research questions were explored in this research: Do artfully designed 3-D computer-generated video stories enhance learning or are such entertaining works a distraction from learning? And, do children…

Picosecond ultrasonics study of the vibrational modes of a nanostructure

NASA Astrophysics Data System (ADS)

Antonelli, G. Andrew; Maris, Humphrey J.; Malhotra, Sandra G.; Harper, James M. E.

2002-03-01

We report experiments in which a subpicosecond pump light pulse is used to excite vibrations in a nanostructure consisting of a periodic array of copper wires embedded in a glass matrix on a silicon substrate. The motion of the wires after excitation is detected using a time-delayed probe light pulse. From the measured data, it is possible to determine the frequencies νn and damping rates Γn of a number of the normal modes of the structure. These modes have frequencies lying in the range 1-30 GHz. By comparison of the measured νn and Γn with the frequencies and damping rates calculated from a computer simulation of the vibrations of the nanostructure, we have been able to deduce the vibration patterns of six of the normal modes.
Emerging Nanophotonic Applications Explored with Advanced Scientific Parallel Computing

NASA Astrophysics Data System (ADS)

Meng, Xiang

The domain of nanoscale optical science and technology is a combination of the classical world of electromagnetics and the quantum mechanical regime of atoms and molecules. Recent advancements in fabrication technology allows the optical structures to be scaled down to nanoscale size or even to the atomic level, which are far smaller than the wavelength they are designed for. These nanostructures can have unique, controllable, and tunable optical properties and their interactions with quantum materials can have important near-field and far-field optical response. Undoubtedly, these optical properties can have many important applications, ranging from the efficient and tunable light sources, detectors, filters, modulators, high-speed all-optical switches; to the next-generation classical and quantum computation, and biophotonic medical sensors. This emerging research of nanoscience, known as nanophotonics, is a highly interdisciplinary field requiring expertise in materials science, physics, electrical engineering, and scientific computing, modeling and simulation. It has also become an important research field for investigating the science and engineering of light-matter interactions that take place on wavelength and subwavelength scales where the nature of the nanostructured matter controls the interactions. In addition, the fast advancements in the computing capabilities, such as parallel computing, also become as a critical element for investigating advanced nanophotonic devices. This role has taken on even greater urgency with the scale-down of device dimensions, and the design for these devices require extensive memory and extremely long core hours. Thus distributed computing platforms associated with parallel computing are required for faster designs processes. Scientific parallel computing constructs mathematical models and quantitative analysis techniques, and uses the computing machines to analyze and solve otherwise intractable scientific challenges. In
Photonic Design: From Fundamental Solar Cell Physics to Computational Inverse Design

NASA Astrophysics Data System (ADS)

Miller, Owen Dennis

Photonic innovation is becoming ever more important in the modern world. Optical systems are dominating shorter and shorter communications distances, LED's are rapidly emerging for a variety of applications, and solar cells show potential to be a mainstream technology in the energy space. The need for novel, energy-efficient photonic and optoelectronic devices will only increase. This work unites fundamental physics and a novel computational inverse design approach towards such innovation. The first half of the dissertation is devoted to the physics of high-efficiency solar cells. As solar cells approach fundamental efficiency limits, their internal physics transforms. Photonic considerations, instead of electronic ones, are the key to reaching the highest voltages and efficiencies. Proper photon management led to Alta Device's recent dramatic increase of the solar cell efficiency record to 28.3%. Moreover, approaching the Shockley-Queisser limit for any solar cell technology will require light extraction to become a part of all future designs. The second half of the dissertation introduces inverse design as a new computational paradigm in photonics. An assortment of techniques (FDTD, FEM, etc.) have enabled quick and accurate simulation of the "forward problem" of finding fields for a given geometry. However, scientists and engineers are typically more interested in the inverse problem: for a desired functionality, what geometry is needed? Answering this question breaks from the emphasis on the forward problem and forges a new path in computational photonics. The framework of shape calculus enables one to quickly find superior, non-intuitive designs. Novel designs for optical cloaking and sub-wavelength solar cell applications are presented.
SrZnO nanostructures grown on templated <0001> Al2O3 substrates by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Labis, Joselito P.; Alanazi, Anwar Q.; Albrithen, Hamad A.; El-Toni, Ahmed Mohamed; Hezam, Mahmoud; Elafifi, Hussein Elsayed; Abaza, Osama M.

2017-09-01

The parameters of pulsed laser deposition (PLD) have been optimized to design different nanostructures of Strontium-alloyed zinc oxide (SrZnO). In this work, SrZnO nanostructures are grown on <0001>Al2O3 substrates via two-step templating/seeding approach. In the temperature range between 300 - 750 oC and O2 background pressures between 0.01 and 10 Torr, the growth conditions have been tailored to grow unique pointed leaf-like- and pitted olive-like nanostructures. Prior to the growth of the nanostructures, a thin SrZnO layer that serves as seed layer/template is first deposited on the Al2O3 substrates at ˜300oC and background oxygen pressure of 10 mTorr. The optical properties of the nanostructures were examined by UV/Vis spectroscopy and photoluminescence (PL), while the structures/morphologies were examined by SEM, TEM, and XRD. The alloyed SrZnO nanostructures, grown by ablating ZnO targets with 5, 10, 25% SrO contents, have in common a single-crystal hexagonal nanostructure with (0002) preferential orientation and have shown remarkable changes in the morphological and optical properties of the materials. To date, this is the only reported work on optimization of laser ablation parameters to design novel SrZnO nanostructures in the 5-25% alloying range, as most related Sr-doped ZnO studies were done below 7% doping. Although the physical properties of ZnO are modified via Sr doping, the mechanism remains unclear. The PLD-grown SrZnO nanostructures were directly grown onto the Al2O3 substrates; thus making these nanomaterials very promising for potential applications in biosensors, love-wave filters, solar cells, and ultrasonic oscillators.
Design Considerations of Help Options in Computer-Based L2 Listening Materials Informed by Participatory Design

ERIC Educational Resources Information Center

Cárdenas-Claros, Mónica Stella

2015-01-01

This paper reports on the findings of two qualitative exploratory studies that sought to investigate design features of help options in computer-based L2 listening materials. Informed by principles of participatory design, language learners, software designers, language teachers, and a computer programmer worked collaboratively in a series of…
Children as Educational Computer Game Designers: An Exploratory Study

ERIC Educational Resources Information Center

Baytak, Ahmet; Land, Susan M.; Smith, Brian K.

2011-01-01

This study investigated how children designed computer games as artifacts that reflected their understanding of nutrition. Ten 5th grade students were asked to design computer games with the software "Game Maker" for the purpose of teaching 1st graders about nutrition. The results from the case study show that students were able to…
Solar energy conversion with tunable plasmonic nanostructures for thermoelectric devices.

PubMed

Xiong, Yujie; Long, Ran; Liu, Dong; Zhong, Xiaolan; Wang, Chengming; Li, Zhi-Yuan; Xie, Yi

2012-08-07

The photothermal effect in localized surface plasmon resonance (LSPR) should be fully utilized when integrating plasmonics into solar technologies for improved light absorption. In this communication, we demonstrate that the photothermal effect of silver nanostructures can provide a heat source for thermoelectric devices for the first time. The plasmonic band of silver nanostructures can be facilely manoeuvred by tailoring their shapes, enabling them to interact with photons in different spectral ranges for the efficient utilization of solar light. It is anticipated that this concept can be extended to design a photovoltaic-thermoelectric tandem cell structure with plasmonics as mediation for light harvesting.
Aluminum nanostructures with strong visible-range SERS activity for versatile micropatterning of molecular security labels.

PubMed

Lay, Chee Leng; Koh, Charlynn Sher Lin; Wang, Jing; Lee, Yih Hong; Jiang, Ruibin; Yang, Yijie; Yang, Zhe; Phang, In Yee; Ling, Xing Yi

2018-01-03

The application of aluminum (Al)-based nanostructures for visible-range plasmonics, especially for surface-enhanced Raman scattering (SERS), currently suffers from inconsistent local electromagnetic field distributions and/or inhomogeneous distribution of probe molecules. Herein, we lithographically fabricate structurally uniform Al nanostructures which enable homogeneous adsorption of various probe molecules. Individual Al nanostructures exhibit strong local electromagnetic field enhancements, in turn leading to intense SERS activity. The average SERS enhancement factor (EF) for individual nanostructures exceeds 10 4 for non-resonant probe molecules in the visible spectrum. These Al nanostructures also retain more than 70% of their original SERS intensities after one-month storage, displaying superb stability under ambient conditions. We further achieve tunable polarization-dependent SERS responses using anisotropic Al nanostructures, facilitating the design of sophisticated SERS-based security labels. Our micron-sized security label comprises two-tier security features, including a machine-readable hybrid quick-response (QR) code overlaid with a set of ciphertexts. Our work demonstrates the versatility of Al-based structures in low-cost modern chemical nano-analytics and forgery protection.
Box-Behnken study design for optimization of bicalutamide-loaded nanostructured lipid carrier: stability assessment.

PubMed

Kudarha, Ritu; Dhas, Namdev L; Pandey, Abhijeet; Belgamwar, Veena S; Ige, Pradum P

2015-01-01

Bicalutamide (BCM) is an anti-androgen drug used to treat prostate cancer. In this study, nanostructured lipid carriers (NLCs) were chosen as a carrier for delivery of BCM using Box-Behnken (BB) design for optimizing various quality attributes such as particle size and entrapment efficiency which is very critical for efficient drug delivery and high therapeutic efficacy. Stability of formulated NLCs was assessed with respect to storage stability, pH stability, hemolysis, protein stability, serum protein stability and accelerated stability. Hot high-pressure homogenizer was utilized for formulation of BCM-loaded NLCs. In BB response surface methodology, total lipid, % liquid lipid and % soya lecithin was selected as independent variable and particle size and %EE as dependent variables. Scanning electron microscopy (SEM) was done for morphological study of NLCs. Differential scanning calorimeter and X-ray diffraction study were used to study crystalline and amorphous behavior. Analysis of design space showed that process was robust with the particle size less than 200 nm and EE up to 78%. Results of stability studies showed stability of carrier in various storage conditions and in different pH condition. From all the above study, it can be concluded that NLCs may be suitable carrier for the delivery of BCM with respect to stability and quality attributes.
Theoretical Study of Si(x) Ge(y)Li(z) (x=4-10, y=1-10, z=0-10) Clusters for Designing of Novel Nanostructured Materials to be Utilized as Anodes for Lithium-Ion Batteries

DTIC Science & Technology

2015-03-16

AFRL-OSR-VA-TR-2015-0088 Theoretical Study of Novel Nanostructured Materials for Lithium - Ion Batteries Mario Sanchez-Vazquez CENTRO DE INVESTIGACION...SiGeLi Clusters for Design of Novel Nanostructured Materials to Be Utilized as Anodes for Lithium - ion Batteries 5a. CONTRACT NUMBER 5b. GRANT NUMBER...utilized as anodes for Lithium - ion batteries Final Report Nancy Perez-Peralta and Mario Sanchez-Vazquez Abstract In order to find out if
Computational materials design of crystalline solids.

PubMed

Butler, Keith T; Frost, Jarvist M; Skelton, Jonathan M; Svane, Katrine L; Walsh, Aron

2016-11-07

The modelling of materials properties and processes from first principles is becoming sufficiently accurate as to facilitate the design and testing of new systems in silico. Computational materials science is both valuable and increasingly necessary for developing novel functional materials and composites that meet the requirements of next-generation technology. A range of simulation techniques are being developed and applied to problems related to materials for energy generation, storage and conversion including solar cells, nuclear reactors, batteries, fuel cells, and catalytic systems. Such techniques may combine crystal-structure prediction (global optimisation), data mining (materials informatics) and high-throughput screening with elements of machine learning. We explore the development process associated with computational materials design, from setting the requirements and descriptors to the development and testing of new materials. As a case study, we critically review progress in the fields of thermoelectrics and photovoltaics, including the simulation of lattice thermal conductivity and the search for Pb-free hybrid halide perovskites. Finally, a number of universal chemical-design principles are advanced.
Computer Program for the Design and Off-Design Performance of Turbojet and Turbofan Engine Cycles

NASA Technical Reports Server (NTRS)

Morris, S. J.

1978-01-01

The rapid computer program is designed to be run in a stand-alone mode or operated within a larger program. The computation is based on a simplified one-dimensional gas turbine cycle. Each component in the engine is modeled thermo-dynamically. The component efficiencies used in the thermodynamic modeling are scaled for the off-design conditions from input design point values using empirical trends which are included in the computer code. The engine cycle program is capable of producing reasonable engine performance prediction with a minimum of computer execute time. The current computer execute time on the IBM 360/67 for one Mach number, one altitude, and one power setting is about 0.1 seconds. about 0.1 seconds. The principal assumption used in the calculation is that the compressor is operated along a line of maximum adiabatic efficiency on the compressor map. The fluid properties are computed for the combustion mixture, but dissociation is not included. The procedure included in the program is only for the combustion of JP-4, methane, or hydrogen.
Morgantown People Mover Redundant Computing System Design Summary

DOT National Transportation Integrated Search

1980-09-01

The purpose of this report is to describe the redundant computing system design used for the current 1980 Phase II Morgantown People Mover (MPM) system. The redundant computing system is that part of the control and communications system (C&CS) consi...
Mix-and-match nanobiosensor design: Logical and spatial programming of biosensors using self-assembled DNA nanostructures.

PubMed

Liu, Ying; Kumar, Sriram; Taylor, Rebecca E

2018-04-06

The evergrowing need to understand and engineer biological and biochemical mechanisms has led to the emergence of the field of nanobiosensing. Structural DNA nanotechnology, encompassing methods such as DNA origami and single-stranded tiles, involves the base pairing-driven knitting of DNA into discrete one-, two-, and three-dimensional shapes at nanoscale. Such nanostructures enable a versatile design and fabrication of nanobiosensors. These systems benefit from DNA's programmability, inherent biocompatibility, and the ability to incorporate and organize functional materials such as proteins and metallic nanoparticles. In this review, we present a mix-and-match taxonomy and approach to designing nanobiosensors in which the choices of bioanalyte and transduction mechanism are fully independent of each other. We also highlight opportunities for greater complexity and programmability of these systems that are built using structural DNA nanotechnology. This article is categorized under: Implantable Materials and Surgical Technologies > Nanomaterials and Implants Diagnostic Tools > Biosensing Biology-Inspired Nanomaterials > Nucleic Acid-Based Structures Nanotechnology Approaches to Biology > Nanoscale Systems in Biology. © 2018 Wiley Periodicals, Inc.
Electromagnetic Compatibility Design of the Computer Circuits

NASA Astrophysics Data System (ADS)

Zitai, Hong

2018-02-01

Computers and the Internet have gradually penetrated into every aspect of people’s daily work. But with the improvement of electronic equipment as well as electrical system, the electromagnetic environment becomes much more complex. Electromagnetic interference has become an important factor to hinder the normal operation of electronic equipment. In order to analyse the computer circuit compatible with the electromagnetic compatibility, this paper starts from the computer electromagnetic and the conception of electromagnetic compatibility. And then, through the analysis of the main circuit and system of computer electromagnetic compatibility problems, we can design the computer circuits in term of electromagnetic compatibility. Finally, the basic contents and methods of EMC test are expounded in order to ensure the electromagnetic compatibility of equipment.
An Interactive Computer Aided Design and Analysis Package.

DTIC Science & Technology

1986-03-01

Al-A167 114 AN INTERACTIVE COMPUTER AIDED DESIGN MUD ANAILYSIS 1/𔃼 PACKAGE(U) NAVAL POSTGRADUATE SCHOOL NONTEREY CA T L EUALD "AR 86 UNCLSSIFIED F... SCHOOL Monterey, California DTIC .LECTE MAYOS THESIS AN INTERACTIVE COMPUTER AIDED DESIGN AND ANALYSIS PACKAGE by Terrence L. Ewald March 1986 jThesis...ORGANIZATION Naval Postgraduate School (if dAp90h81111) Naval Postgraduate School . 62A 6C. ADDRESS (0ty. State, and ZIP Code) 7b. ADDRESS (City State. and
Nanostructures, systems, and methods for photocatalysis

DOEpatents

Reece, Steven Y.; Jarvi, Thomas D.

2015-12-08

The present invention generally relates to nanostructures and compositions comprising nanostructures, methods of making and using the nanostructures, and related systems. In some embodiments, a nanostructure comprises a first region and a second region, wherein a first photocatalytic reaction (e.g., an oxidation reaction) can be carried out at the first region and a second photocatalytic reaction (e.g., a reduction reaction) can be carried out at the second region. In some cases, the first photocatalytic reaction is the formation of oxygen gas from water and the second photocatalytic reaction is the formation of hydrogen gas from water. In some embodiments, a nanostructure comprises at least one semiconductor material, and, in some cases, at least one catalytic material and/or at least one photosensitizing agent.
Multiscale Computational Modeling of the Nanostructure of Solid Dispersions of Hydroxypropyl Methylcellulose Acetate Succinate (HPMCAS) and Phenytoin.

PubMed

Huang, Wenjun; Mandal, Taraknath; Larson, Ronald G

2017-10-02

We recently developed coarse-grained (CG) force fields for hydroxypropyl methylcellulose acetate succinate (HPMCAS) polymers and the model drug molecule phenytoin, and a continuum transport model to study the polymer-drug nanostructures presented during a dissolution test after solvation of solid dispersion particles. We model the polymer-drug interactions that contribute to suppression of drug aggregation, release, and crystal growth during the dissolution process, and we take these as indicators of polymer effectiveness. We find that the size and the intermolecular interaction strength of the functional group and the drug loading concentration are the major factors that impact the effectiveness of the polymeric excipient. The hydroxypropyl acetyl group is the most effective functional group, followed by the acetyl group, while the deprotonated succinyl group is the least effective functional group, except that the deprotonated succinyl group at the 6-position is very effective in slowing down the phenytoin crystal growth. Our simulation results thus suggest HPMCAS with higher acetyl and lower succinyl content is more effective in promoting phenytoin solubility in dissolution media, and polymers become less effective when drug loading becomes high (i.e., 50% of the mass of the polymer/drug solid dispersion), agreeing with previous experimental studies. In addition, our transport model indicates that the drug release time from a solid dispersion particle of 2 μm diameter is less than 10 min, correlating well with the experimental time scale for a typical dissolution profile to reach maximum peak concentration. Our modeling effort, therefore, provides new avenues to understand the dissolution behavior of complex HPMCAS-phenytoin solid dispersions and offers a new design tool to optimize the formulation. Moreover, the systematic and robust approach used in our computational models can be extended to other polymeric excipients and drug candidates.
Spatial resolution versus contrast trade-off enhancement in high-resolution surface plasmon resonance imaging (SPRI) by metal surface nanostructure design.

PubMed

Banville, Frederic A; Moreau, Julien; Sarkar, Mitradeep; Besbes, Mondher; Canva, Michael; Charette, Paul G

2018-04-16

Surface plasmon resonance imaging (SPRI) is an optical near-field method used for mapping the spatial distribution of chemical/physical perturbations above a metal surface without exogenous labeling. Currently, the majority of SPRI systems are used in microarray biosensing, requiring only modest spatial resolution. There is increasing interest in applying SPRI for label-free near-field imaging of biological cells to study cell/surface interactions. However, the required resolution (sub-µm) greatly exceeds what current systems can deliver. Indeed, the attenuation length of surface plasmon polaritons (SPP) severely limits resolution along one axis, typically to tens of µm. Strategies to date for improving spatial resolution result in a commensurate deterioration in other imaging parameters. Unlike the smooth metal surfaces used in SPRI that support purely propagating surface modes, nanostructured metal surfaces support "hybrid" SPP modes that share attributes from both propagating and localized modes. We show that these hybrid modes are especially well-suited to high-resolution imaging and demonstrate how the nanostructure geometry can be designed to achieve sub-µm resolution while mitigating the imaging parameter trade-off according to an application-specific optimum.
Nanostructuring of Palladium with Low-Temperature Helium Plasma

PubMed Central

Fiflis, P.; Christenson, M.P.; Connolly, N.; Ruzic, D.N.

2015-01-01

Impingement of high fluxes of helium ions upon metals at elevated temperatures has given rise to the growth of nanostructured layers on the surface of several metals, such as tungsten and molybdenum. These nanostructured layers grow from the bulk material and have greatly increased surface area over that of a not nanostructured surface. They are also superior to deposited nanostructures due to a lack of worries over adhesion and differences in material properties. Several palladium samples of varying thickness were biased and exposed to a helium helicon plasma. The nanostructures were characterized as a function of the thickness of the palladium layer and of temperature. Bubbles of ~100 nm in diameter appear to be integral to the nanostructuring process. Nanostructured palladium is also shown to have better catalytic activity than not nanostructured palladium. PMID:28347109

Nanostructuring of Palladium with Low-Temperature Helium Plasma.

PubMed

Fiflis, P; Christenson, M P; Connolly, N; Ruzic, D N

2015-11-25

Impingement of high fluxes of helium ions upon metals at elevated temperatures has given rise to the growth of nanostructured layers on the surface of several metals, such as tungsten and molybdenum. These nanostructured layers grow from the bulk material and have greatly increased surface area over that of a not nanostructured surface. They are also superior to deposited nanostructures due to a lack of worries over adhesion and differences in material properties. Several palladium samples of varying thickness were biased and exposed to a helium helicon plasma. The nanostructures were characterized as a function of the thickness of the palladium layer and of temperature. Bubbles of ~100 nm in diameter appear to be integral to the nanostructuring process. Nanostructured palladium is also shown to have better catalytic activity than not nanostructured palladium.
Computing design principles for robotic telescopes

NASA Astrophysics Data System (ADS)

Bowman, Mark K.; Ford, Martyn J.; Lett, Robert D. J.; McKay, Derek J.; Mücke-Herzberg, Dorothy; Norbury, Martin A.

2002-12-01

Telescopes capable of making observing decisions independent of human supervision have become a reality in the 21st century. These new telescopes are likely to replace automated systems as the telescopes of choice. A fully robotic implementation offers not only reduced operating costs, but also significant gains in scientific output over automated or remotely operated systems. The design goals are to maximise the telescope operating time and minimise the cost of diagnosis and repair. However, the demands of a robotic telescope greatly exceed those of its remotely operated counterpart, and the design of the computing system is key to its operational performance. This paper outlines the challenges facing the designer of these computing systems, and describes some of the principles of design which may be applied. Issues considered include automatic control and efficiency, system awareness, robustness and reliability, access, security and safety, as well as ease-of-use and maintenance. These requirements cannot be considered simply within the context of the application software. Hence, this paper takes into account operating system, hardware and environmental issues. Consideration is also given to accommodating different levels of manual control within robotic telescopes, as well as methods of accessing and overriding the system in the event of failure.
Automatic design of optical systems by digital computer

NASA Technical Reports Server (NTRS)

Casad, T. A.; Schmidt, L. F.

1967-01-01

Computer program uses geometrical optical techniques and a least squares optimization method employing computing equipment for the automatic design of optical systems. It evaluates changes in various optical parameters, provides comprehensive ray-tracing, and generally determines the acceptability of the optical system characteristics.
The Evolution of Computer Based Learning Software Design: Computer Assisted Teaching Unit Experience.

ERIC Educational Resources Information Center

Blandford, A. E.; Smith, P. R.

1986-01-01

Describes the style of design of computer simulations developed by Computer Assisted Teaching Unit at Queen Mary College with reference to user interface, input and initialization, input data vetting, effective display screen use, graphical results presentation, and need for hard copy. Procedures and problems relating to academic involvement are…
Development of nanostructured antireflection coatings for infrared technologies and applications

NASA Astrophysics Data System (ADS)

Pethuraja, Gopal G.; Zeller, John W.; Welser, Roger E.; Efstathiadis, Harry; Haldar, Pradeep; Wijewarnasuriya, Priyalal S.; Dhar, Nibir K.; Sood, Ashok K.

2017-09-01

Infrared (IR) sensing technologies and systems operating from the near-infrared (NIR) to long-wave infrared (LWIR) spectra are being developed for a variety of defense and commercial systems applications. Reflection losses affecting a significant portion of the incident signal limits the performance of IR sensing systems. One of the critical technologies that will overcome this limitation and enhance the performance of IR sensing systems is the development of advanced antireflection (AR) coatings. Magnolia is actively involved in the development and advancement of ultrahigh performance AR coatings for a wide variety of defense and commercial applications. Ultrahigh performance nanostructured AR coatings have been demonstrated for UV to LWIR spectral bands using various substrates. The AR coatings enhance the optical transmission through optical components and devices by significantly minimizing reflection losses, a substantial improvement over conventional thin-film AR coating technologies. Nanostructured AR coatings are fabricated using a tunable self-assembly process on substrates that are transparent for a given spectrum of interest ranging from UV to LWIR. The nanostructured multilayer structures have been designed, developed and optimized for various optoelectronic applications. The optical properties of the AR-coated optical components and sensor substrates have been measured and fine-tuned to achieve a predicted high level of performance of the coatings. In this paper, we review our latest work on high quality nanostructure-based AR coatings, including recent efforts towards the development of nanostructured AR coatings on IR-transparent substrates.
Two-qubit correlations via a periodic plasmonic nanostructure

NASA Astrophysics Data System (ADS)

Iliopoulos, Nikos; Terzis, Andreas F.; Yannopapas, Vassilios; Paspalakis, Emmanuel

2016-02-01

We theoretically investigate the generation of quantum correlations by using two distant qubits in free space or mediated by a plasmonic nanostructure. We report both entanglement of formation as well as quantum discord and classical correlations. We have found that for proper initial state of the two-qubit system and distance between the two qubits we can produce quantum correlations taking significant value for a relatively large time interval so that it can be useful in quantum information and computation processes.
Two-qubit correlations via a periodic plasmonic nanostructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iliopoulos, Nikos; Terzis, Andreas F.; Yannopapas, Vassilios

2016-02-15

We theoretically investigate the generation of quantum correlations by using two distant qubits in free space or mediated by a plasmonic nanostructure. We report both entanglement of formation as well as quantum discord and classical correlations. We have found that for proper initial state of the two-qubit system and distance between the two qubits we can produce quantum correlations taking significant value for a relatively large time interval so that it can be useful in quantum information and computation processes.
Rational design and synthesis of yolk-shell ZnGa2O4@C nanostructure with enhanced lithium storage properties

NASA Astrophysics Data System (ADS)

Han, Nao; Xia, Yuguo; Han, Yanyang; Jiao, Xiuling; Chen, Dairong

2018-03-01

The ability to create hybrid nanostructure with synergistic effect and confined morphology to achieve high performance and long-term stability is high desirable in lithium ion batteries. Although transition metal oxides as anode material reveal high theoretical capacities, the significant volume changes during repeated lithium insertion and extraction cause pulverization of electrode materials, resulting in rapid fade in capacity. Herein, yolk-shell nanostructure of ZnGa2O4 encapsulated by amorphous carbon is rationally designed and synthesized through two-step surface coating followed by thermal treatment and etching process. It is noteworthy that ZnGa2O4@C with yolk-shell structure is superior to pristine ZnGa2O4 and ZnGa2O4@C with core-shell structure in term of lithium storage. The stable reversible capacity of yolk-shell ZnGa2O4@C can be retained at 657.2 mAh g-1 at current density of 1 A g-1 after completion of 300 cycles, which also reveals superior rate performance. The appropriate carbon shell and void space involved in the yolk-shell structure are considered to be the crucial factor in accommodating volume expansion as well as preserving the structural integrity of yolk-shell ZnGa2O4@C.
Computer automation for feedback system design

NASA Technical Reports Server (NTRS)

1975-01-01

Mathematical techniques and explanations of various steps used by an automated computer program to design feedback systems are summarized. Special attention was given to refining the automatic evaluation suboptimal loop transmission and the translation of time to frequency domain specifications.
Independent control of electrical and heat conduction by nanostructure designing for Si-based thermoelectric materials

PubMed Central

Yamasaka, Shuto; Watanabe, Kentaro; Sakane, Shunya; Takeuchi, Shotaro; Sakai, Akira; Sawano, Kentarou; Nakamura, Yoshiaki

2016-01-01

The high electrical and drastically-low thermal conductivities, a vital goal for high performance thermoelectric (TE) materials, are achieved in Si-based nanoarchitecture composed of Si channel layers and epitaxial Ge nanodots (NDs) with ultrahigh areal density (~1012 cm−2). In this nanoarchitecture, the ultrasmall NDs and Si channel layers play roles of phonon scattering sources and electrical conduction channels, respectively. Electron conductivity in n-type nanoacrhitecture shows high values comparable to those of epitaxial Si films despite the existence of epitaxial NDs. This is because Ge NDs mainly scattered not electrons but phonons selectively, which could be attributed to the small conduction band offset at the epitaxially-grown Si/Ge interface and high transmission probability through stacking faults. These results demonstrate an independent control of thermal and electrical conduction for phonon-glass electron-crystal TE materials by nanostructure designing and the energetic and structural interface control. PMID:26973092
Is there a shift to "active nanostructures"?

NASA Astrophysics Data System (ADS)

Subramanian, Vrishali; Youtie, Jan; Porter, Alan L.; Shapira, Philip

2010-01-01

It has been suggested that an important transition in the long-run trajectory of nanotechnology development is a shift from passive to active nanostructures. Such a shift could present different or increased societal impacts and require new approaches for risk assessment. An active nanostructure "changes or evolves its state during its operation," according to the National Science Foundation's (2006) Active Nanostructures and Nanosystems grant solicitation. Active nanostructure examples include nanoelectromechanical systems (NEMS), nanomachines, self-healing materials, targeted drugs and chemicals, energy storage devices, and sensors. This article considers two questions: (a) Is there a "shift" to active nanostructures? (b) How can we characterize the prototypical areas into which active nanostructures may emerge? We build upon the NSF definition of active nanostructures to develop a research publication search strategy, with a particular intent to distinguish between passive and active nanotechnologies. We perform bibliometric analyses and describe the main publication trends from 1995 to 2008. We then describe the prototypes of research that emerge based on reading the abstracts and review papers encountered in our search. Preliminary results suggest that there is a sharp rise in active nanostructures publications in 2006, and this rise is maintained in 2007 and through to early 2008. We present a typology that can be used to describe the kind of active nanostructures that may be commercialized and regulated in the future.
Biomimetics of photonic nanostructures.

PubMed

Parker, Andrew R; Townley, Helen E

2007-06-01

Biomimetics is the extraction of good design from nature. One approach to optical biomimetics focuses on the use of conventional engineering methods to make direct analogues of the reflectors and anti-reflectors found in nature. However, recent collaborations between biologists, physicists, engineers, chemists and materials scientists have ventured beyond experiments that merely mimic what happens in nature, leading to a thriving new area of research involving biomimetics through cell culture. In this new approach, the nanoengineering efficiency of living cells is harnessed and natural organisms such as diatoms and viruses are used to make nanostructures that could have commercial applications.
Silicon-embedded copper nanostructure network for high energy storage

DOEpatents

Yu, Tianyue

2016-03-15

Provided herein are nanostructure networks having high energy storage, electrochemically active electrode materials including nanostructure networks having high energy storage, as well as electrodes and batteries including the nanostructure networks having high energy storage. According to various implementations, the nanostructure networks have high energy density as well as long cycle life. In some implementations, the nanostructure networks include a conductive network embedded with electrochemically active material. In some implementations, silicon is used as the electrochemically active material. The conductive network may be a metal network such as a copper nanostructure network. Methods of manufacturing the nanostructure networks and electrodes are provided. In some implementations, metal nanostructures can be synthesized in a solution that contains silicon powder to make a composite network structure that contains both. The metal nanostructure growth can nucleate in solution and on silicon nanostructure surfaces.
Silicon-embedded copper nanostructure network for high energy storage

DOEpatents

Yu, Tianyue

2018-01-23

Provided herein are nanostructure networks having high energy storage, electrochemically active electrode materials including nanostructure networks having high energy storage, as well as electrodes and batteries including the nanostructure networks having high energy storage. According to various implementations, the nanostructure networks have high energy density as well as long cycle life. In some implementations, the nanostructure networks include a conductive network embedded with electrochemically active material. In some implementations, silicon is used as the electrochemically active material. The conductive network may be a metal network such as a copper nanostructure network. Methods of manufacturing the nanostructure networks and electrodes are provided. In some implementations, metal nanostructures can be synthesized in a solution that contains silicon powder to make a composite network structure that contains both. The metal nanostructure growth can nucleate in solution and on silicon nanostructure surfaces.
Advanced Computational Techniques for Power Tube Design.

DTIC Science & Technology

1986-07-01

fixturing applications, in addition to the existing computer-aided engineering capabilities. o Helix TWT Manufacturing has Implemented a tooling and fixturing...illustrates the ajor features of this computer network. ) The backbone of our system is a Sytek Broadband Network (LAN) which Interconnects terminals and...automatic network analyzer (FANA) which electrically characterizes the slow-wave helices of traveling-wave tubes ( TWTs ) -- both for engineering design
The use of analytical models in human-computer interface design

NASA Technical Reports Server (NTRS)

Gugerty, Leo

1991-01-01

Some of the many analytical models in human-computer interface design that are currently being developed are described. The usefulness of analytical models for human-computer interface design is evaluated. Can the use of analytical models be recommended to interface designers? The answer, based on the empirical research summarized here, is: not at this time. There are too many unanswered questions concerning the validity of models and their ability to meet the practical needs of design organizations.
Plasmonic nanostructures for surface-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Jiang, Ruiqian

In the last three decades, a large number of different plasmonic nanostructures have attracted much attention due to their unique optical properties. Those plasmonic nanostructures include nanoparticles, nanoholes and metal nanovoids. They have been widely utilized in optical devices and sensors. When the plasmonic nanostructures interact with the electromagnetic wave and their surface plasmon frequency match with the light frequency, the electrons in plasmonic nanostructures will resonate with the same oscillation as incident light. In this case, the plasmonic nanostructures can absorb light and enhance the light scattering. Therefore, the plasmonic nanostructures can be used as substrate for surface-enhanced Raman spectroscopy to enhance the Raman signal. Using plasmonic nanostructures can significantly enhance Raman scattering of molecules with very low concentrations. In this thesis, two different plasmonic nanostructures Ag dendrites and Au/Ag core-shell nanoparticles are investigated. Simple methods were used to produce these two plasmonic nanostructures. Then, their applications in surface enhanced Raman scattering have been explored. Ag dendrites were produced by galvanic replacement reaction, which was conducted using Ag nitrate aqueous solution and copper metal. Metal copper layer was deposited at the bottom side of anodic aluminum oxide (AAO) membrane. Silver wires formed inside AAO channels connected Ag nitrate on the top of AAO membrane and copper layer at the bottom side of AAO. Silver dendrites were formed on the top side of AAO. The second plasmonic nanostructure is Au/Ag core-shell nanoparticles. They were fabricated by electroless plating (galvanic replacement) reaction in a silver plating solution. First, electrochemically evolved hydrogen bubbles were used as template through electroless deposition to produce hollow Au nanoparticles. Then, the Au nanoparticles were coated with Cu shells in a Cu plating solution. In the following step, a Ag
Fabrication of nanostructured electrodes and interfaces using combustion CVD

NASA Astrophysics Data System (ADS)

Liu, Ying

Reducing fabrication and operation costs while maintaining high performance is a major consideration for the design of a new generation of solid-state ionic devices such as fuel cells, batteries, and sensors. The objective of this research is to fabricate nanostructured materials for energy storage and conversion, particularly porous electrodes with nanostructured features for solid oxide fuel cells (SOFCs) and high surface area films for gas sensing using a combustion CVD process. This research started with the evaluation of the most important deposition parameters: deposition temperature, deposition time, precursor concentration, and substrate. With the optimum deposition parameters, highly porous and nanostructured electrodes for low-temperature SOFCs have been then fabricated. Further, nanostructured and functionally graded La0.8Sr0.2MnO2-La 0.8SrCoO3-Gd0.1Ce0.9O2 composite cathodes were fabricated on YSZ electrolyte supports. Extremely low interfacial polarization resistances (i.e. 0.43 Ocm2 at 700°C) and high power densities (i.e. 481 mW/cm2 at 800°C) were generated at operating temperature range of 600°C--850°C. The original combustion CVD process is modified to directly employ solid ceramic powder instead of clear solution for fabrication of porous electrodes for solid oxide fuel cells. Solid particles of SOFC electrode materials suspended in an organic solvent were burned in a combustion flame, depositing a porous cathode on an anode supported electrolyte. Combustion CVD was also employed to fabricate highly porous and nanostructured SnO2 thin film gas sensors with Pt interdigitated electrodes. The as-prepared SnO2 gas sensors were tested for ethanol vapor sensing behavior in the temperature range of 200--500°C and showed excellent sensitivity, selectivity, and speed of response. Moreover, several novel nanostructures were synthesized using a combustion CVD process, including SnO2 nanotubes with square-shaped or rectangular cross sections, well
Participatory Design of Learning Media: Designing Educational Computer Games with and for Teenagers

ERIC Educational Resources Information Center

Danielsson, Karin; Wiberg, Charlotte

2006-01-01

This paper reports on how prospective users may be involved in the design of entertaining educational computer games. The paper illustrates an approach, which combines traditional Participatory Design methods in an applicable way for this type of design. Results illuminate the users' important contribution during game development, especially when…
PREFACE: Self-organized nanostructures

NASA Astrophysics Data System (ADS)

Rousset, Sylvie; Ortega, Enrique

2006-04-01

In order to fabricate ordered arrays of nanostructures, two different strategies might be considered. The `top-down' approach consists of pushing the limit of lithography techniques down to the nanometre scale. However, beyond 10 nm lithography techniques will inevitably face major intrinsic limitations. An alternative method for elaborating ultimate-size nanostructures is based on the reverse `bottom-up' approach, i.e. building up nanostructures (and eventually assemble them to form functional circuits) from individual atoms or molecules. Scanning probe microscopies, including scanning tunnelling microscopy (STM) invented in 1982, have made it possible to create (and visualize) individual structures atom by atom. However, such individual atomic manipulation is not suitable for industrial applications. Self-assembly or self-organization of nanostructures on solid surfaces is a bottom-up approach that allows one to fabricate and assemble nanostructure arrays in a one-step process. For applications, such as high density magnetic storage, self-assembly appears to be the simplest alternative to lithography for massive, parallel fabrication of nanostructure arrays with regular sizes and spacings. These are also necessary for investigating the physical properties of individual nanostructures by means of averaging techniques, i.e. all those using light or particle beams. The state-of-the-art and the current developments in the field of self-organization and physical properties of assembled nanostructures are reviewed in this issue of Journal of Physics: Condensed Matter. The papers have been selected from among the invited and oral presentations of the recent summer workshop held in Cargese (Corsica, France, 17-23 July 2005). All authors are world-renowned in the field. The workshop has been funded by the Marie Curie Actions: Marie Curie Conferences and Training Courses series named `NanosciencesTech' supported by the VI Framework Programme of the European Community, by

Gas phase electrodeposition: a programmable multimaterial deposition method for combinatorial nanostructured device discovery.

PubMed

Lin, En-Chiang; Cole, Jesse J; Jacobs, Heiko O

2010-11-10

This article reports and applies a recently discovered programmable multimaterial deposition process to the formation and combinatorial improvement of 3D nanostructured devices. The gas-phase deposition process produces charged <5 nm particles of silver, tungsten, and platinum and uses externally biased electrodes to control the material flux and to turn deposition ON/OFF in selected domains. Domains host nanostructured dielectrics to define arrays of electrodynamic 10 × nanolenses to further control the flux to form <100 nm resolution deposits. The unique feature of the process is that material type, amount, and sequence can be altered from one domain to the next leading to different types of nanostructures including multimaterial bridges, interconnects, or nanowire arrays with 20 nm positional accuracy. These features enable combinatorial nanostructured materials and device discovery. As a first demonstration, we produce and identify in a combinatorial way 3D nanostructured electrode designs that improve light scattering, absorption, and minority carrier extraction of bulk heterojunction photovoltaic cells. Photovoltaic cells from domains with long and dense nanowire arrays improve the relative power conversion efficiency by 47% when compared to flat domains on the same substrate.
DNA tetrominoes: the construction of DNA nanostructures using self-organised heterogeneous deoxyribonucleic acids shapes.

PubMed

Ong, Hui San; Rahim, Mohd Syafiq; Firdaus-Raih, Mohd; Ramlan, Effirul Ikhwan

2015-01-01

The unique programmability of nucleic acids offers alternative in constructing excitable and functional nanostructures. This work introduces an autonomous protocol to construct DNA Tetris shapes (L-Shape, B-Shape, T-Shape and I-Shape) using modular DNA blocks. The protocol exploits the rich number of sequence combinations available from the nucleic acid alphabets, thus allowing for diversity to be applied in designing various DNA nanostructures. Instead of a deterministic set of sequences corresponding to a particular design, the protocol promotes a large pool of DNA shapes that can assemble to conform to any desired structures. By utilising evolutionary programming in the design stage, DNA blocks are subjected to processes such as sequence insertion, deletion and base shifting in order to enrich the diversity of the resulting shapes based on a set of cascading filters. The optimisation algorithm allows mutation to be exerted indefinitely on the candidate sequences until these sequences complied with all the four fitness criteria. Generated candidates from the protocol are in agreement with the filter cascades and thermodynamic simulation. Further validation using gel electrophoresis indicated the formation of the designed shapes. Thus, supporting the plausibility of constructing DNA nanostructures in a more hierarchical, modular, and interchangeable manner.
A rule based computer aided design system

NASA Technical Reports Server (NTRS)

Premack, T.

1986-01-01

A Computer Aided Design (CAD) system is presented which supports the iterative process of design, the dimensional continuity between mating parts, and the hierarchical structure of the parts in their assembled configuration. Prolog, an interactive logic programming language, is used to represent and interpret the data base. The solid geometry representing the parts is defined in parameterized form using the swept volume method. The system is demonstrated with a design of a spring piston.
Design of a nanostructured lipid carrier intended to improve the treatment of tuberculosis

PubMed Central

Pinheiro, Marina; Ribeiro, Ricardo; Vieira, Alexandre; Andrade, Fernanda; Reis, Salette

2016-01-01

This work aimed to design, develop, and characterize a lipid nanocarrier system for the selective delivery of rifabutin (RFB) to alveolar macrophages. Lipid nanoparticles, specifically nanostructured lipid carriers (NLC), were synthetized by the high-shear homogenization and ultrasonication techniques. These nanoparticles were designed to exhibit both passive and active targeting strategies to be efficiently internalized by the alveolar macrophages, traffic to the acidified phagosomes and phagolysosomes, and release bactericidal concentrations of the antituberculosis drug intracellularly. NLC that could entrap RFB were prepared, characterized, and further functionalized with mannose. Particles’ diameter, zeta potential, morphology, drug% entrapping efficiency, and drug release kinetics were evaluated. The mannose coating process was confirmed by Fourier transform infrared. Further, the cytotoxicity of the formulations was evaluated by 3-(4,5-dimethylthiazol-2-yl)-2,5 diphenyltetrazolium bromide (MTT) assay in A549, Calu-3, and Raw 264.7 cells. The diameter of NLC formulations was found to be in the range of 175–213 nm, and drug entrapping efficiency was found to be above 80%. In addition, high storage stability for the formulations was expected since they maintained the initial characteristics for 6 months. Moreover, the drug release was pH-sensitive, with a faster drug release at acidic pH than at neutral pH. These results pose a strong argument that the developed nanocarrier can be explored as a promising carrier for safer and more efficient management of tuberculosis by exploiting the pulmonary route of administration. PMID:27536067
Designing for Interaction: Six Steps to Designing Computer-Supported Group-Based Learning

ERIC Educational Resources Information Center

Strijbos, J. W.; Martens, R. L.; Jochems, W. M. G.

2004-01-01

At present, the design of computer-supported group-based learning (CSGBL) is often based on subjective decisions regarding tasks, pedagogy and technology, or concepts such as "cooperative learning" and "collaborative learning." Critical review reveals these concepts as insufficiently substantial to serve as a basis for CSGBL design. Furthermore,…
Surface enhanced Raman spectroscopy detection of biomolecules using EBL fabricated nanostructured substrates.

PubMed

Peters, Robert F; Gutierrez-Rivera, Luis; Dew, Steven K; Stepanova, Maria

2015-03-20

Fabrication and characterization of conjugate nano-biological systems interfacing metallic nanostructures on solid supports with immobilized biomolecules is reported. The entire sequence of relevant experimental steps is described, involving the fabrication of nanostructured substrates using electron beam lithography, immobilization of biomolecules on the substrates, and their characterization utilizing surface-enhanced Raman spectroscopy (SERS). Three different designs of nano-biological systems are employed, including protein A, glucose binding protein, and a dopamine binding DNA aptamer. In the latter two cases, the binding of respective ligands, D-glucose and dopamine, is also included. The three kinds of biomolecules are immobilized on nanostructured substrates by different methods, and the results of SERS imaging are reported. The capabilities of SERS to detect vibrational modes from surface-immobilized proteins, as well as to capture the protein-ligand and aptamer-ligand binding are demonstrated. The results also illustrate the influence of the surface nanostructure geometry, biomolecules immobilization strategy, Raman activity of the molecules and presence or absence of the ligand binding on the SERS spectra acquired.
Short peptide-directed synthesis of one-dimensional platinum nanostructures with controllable morphologies

PubMed Central

Tao, Kai; Wang, Jiqian; Li, Yanpeng; Xia, Daohong; Shan, Honghong; Xu, Hai; Lu, Jian R.

2013-01-01

Although one dimensional (1D) Pt nanostructures with well-defined sizes and shapes have fascinating physiochemical properties, their preparation remains a great challenge. Here we report an easy and novel synthesis of 1D Pt nanostructures with controllable morphologies, through the combination of designer self-assembling I3K and phage-displayed P7A peptides. The nanofibrils formed via I3K self-assembly acted as template. Pt precursors ((PtCl4)2− and (PtCl6)2−) were immobilized by electrostatic interaction on the positively charged template surface and subsequent reduction led to the formation of 1D Pt nanostructures. P7A was applied to tune the continuity of the Pt nanostructures. Here, the electrostatic repulsion between the deprotonated C-terminal carboxyl groups of P7A molecules was demonstrated to play a key role. We finally showed that continuous and ordered 1D Pt morphology had a significantly improved electrochemical performance for the hydrogen and methanol electro-oxidation in comparison with either 1D discrete Pt nanoparticle assemblies or isolated Pt nanoparticles. PMID:23995118
Advances in computational design and analysis of airbreathing propulsion systems

NASA Technical Reports Server (NTRS)

Klineberg, John M.

1989-01-01

The development of commercial and military aircraft depends, to a large extent, on engine manufacturers being able to achieve significant increases in propulsion capability through improved component aerodynamics, materials, and structures. The recent history of propulsion has been marked by efforts to develop computational techniques that can speed up the propulsion design process and produce superior designs. The availability of powerful supercomputers, such as the NASA Numerical Aerodynamic Simulator, and the potential for even higher performance offered by parallel computer architectures, have opened the door to the use of multi-dimensional simulations to study complex physical phenomena in propulsion systems that have previously defied analysis or experimental observation. An overview of several NASA Lewis research efforts is provided that are contributing toward the long-range goal of a numerical test-cell for the integrated, multidisciplinary design, analysis, and optimization of propulsion systems. Specific examples in Internal Computational Fluid Mechanics, Computational Structural Mechanics, Computational Materials Science, and High Performance Computing are cited and described in terms of current capabilities, technical challenges, and future research directions.
Peptide nanostructures in biomedical technology.

PubMed

Feyzizarnagh, Hamid; Yoon, Do-Young; Goltz, Mark; Kim, Dong-Shik

2016-09-01

Nanostructures of peptides have been investigated for biomedical applications due to their unique mechanical and electrical properties in addition to their excellent biocompatibility. Peptides may form fibrils, spheres and tubes in nanoscale depending on the formation conditions. These peptide nanostructures can be used in electrical, medical, dental, and environmental applications. Applications of these nanostructures include, but are not limited to, electronic devices, biosensing, medical imaging and diagnosis, drug delivery, tissue engineering and stem cell research. This review offers a discussion of basic synthesis methods, properties and application of these nanomaterials. The review concludes with recommendations and future directions for peptide nanostructures. WIREs Nanomed Nanobiotechnol 2016, 8:730-743. doi: 10.1002/wnan.1393 For further resources related to this article, please visit the WIREs website. © 2016 Wiley Periodicals, Inc.
Cloud Computing for Teaching Practice: A New Design?

ERIC Educational Resources Information Center

Saadatdoost, Robab; Sim, Alex Tze Hiang; Jafarkarimi, Hosein; Hee, Jee Mei; Saadatdoost, Leila

2014-01-01

Recently researchers have shown an increased interest in cloud computing technology. It is becoming increasingly difficult to ignore cloud computing technology in education context. However rapid changes in information technology are having a serious effect on teaching framework designs. So far, however, there has been little discussion about…
Enzymatic Synthesis of Self-assembled Dicer Substrate RNA Nanostructures for Programmable Gene Silencing.

PubMed

Jang, Bora; Kim, Boyoung; Kim, Hyunsook; Kwon, Hyokyoung; Kim, Minjeong; Seo, Yunmi; Colas, Marion; Jeong, Hansaem; Jeong, Eun Hye; Lee, Kyuri; Lee, Hyukjin

2018-06-08

Enzymatic synthesis of RNA nanostructures is achieved by isothermal rolling circle transcription (RCT). Each arm of RNA nanostructures provides a functional role of Dicer substrate RNA inducing sequence specific RNA interference (RNAi). Three different RNAi sequences (GFP, RFP, and BFP) are incorporated within the three-arm junction RNA nanostructures (Y-RNA). The template and helper DNA strands are designed for the large-scale in vitro synthesis of RNA strands to prepare self-assembled Y-RNA. Interestingly, Dicer processing of Y-RNA is highly influenced by its physical structure and different gene silencing activity is achieved depending on its arm length and overhang. In addition, enzymatic synthesis allows the preparation of various Y-RNA structures using a single DNA template offering on demand regulation of multiple target genes.
Computational methods for aerodynamic design using numerical optimization

NASA Technical Reports Server (NTRS)

Peeters, M. F.

1983-01-01

Five methods to increase the computational efficiency of aerodynamic design using numerical optimization, by reducing the computer time required to perform gradient calculations, are examined. The most promising method consists of drastically reducing the size of the computational domain on which aerodynamic calculations are made during gradient calculations. Since a gradient calculation requires the solution of the flow about an airfoil whose geometry was slightly perturbed from a base airfoil, the flow about the base airfoil is used to determine boundary conditions on the reduced computational domain. This method worked well in subcritical flow.
Navier-Stokes computations useful in aircraft design

NASA Technical Reports Server (NTRS)

Holst, Terry L.

1990-01-01

Large scale Navier-Stokes computations about aircraft components as well as reasonably complete aircraft configurations are presented and discussed. Speed and memory requirements are described for various general problem classes, which in some cases are already being used in the industrial design environment. Recent computed results, with experimental comparisons when available, are included to highlight the presentation. Finally, prospects for the future are described and recommendations for areas of concentrated research are indicated. The future of Navier-Stokes computations is seen to be rapidly expanding across a broad front of applications, which includes the entire subsonic-to-hypersonic speed regime.
A Computational Workflow for the Automated Generation of Models of Genetic Designs.

PubMed

Misirli, Göksel; Nguyen, Tramy; McLaughlin, James Alastair; Vaidyanathan, Prashant; Jones, Timothy S; Densmore, Douglas; Myers, Chris; Wipat, Anil

2018-06-05

Computational models are essential to engineer predictable biological systems and to scale up this process for complex systems. Computational modeling often requires expert knowledge and data to build models. Clearly, manual creation of models is not scalable for large designs. Despite several automated model construction approaches, computational methodologies to bridge knowledge in design repositories and the process of creating computational models have still not been established. This paper describes a workflow for automatic generation of computational models of genetic circuits from data stored in design repositories using existing standards. This workflow leverages the software tool SBOLDesigner to build structural models that are then enriched by the Virtual Parts Repository API using Systems Biology Open Language (SBOL) data fetched from the SynBioHub design repository. The iBioSim software tool is then utilized to convert this SBOL description into a computational model encoded using the Systems Biology Markup Language (SBML). Finally, this SBML model can be simulated using a variety of methods. This workflow provides synthetic biologists with easy to use tools to create predictable biological systems, hiding away the complexity of building computational models. This approach can further be incorporated into other computational workflows for design automation.
AI/OR computational model for integrating qualitative and quantitative design methods

NASA Technical Reports Server (NTRS)

Agogino, Alice M.; Bradley, Stephen R.; Cagan, Jonathan; Jain, Pramod; Michelena, Nestor

1990-01-01

A theoretical framework for integrating qualitative and numerical computational methods for optimally-directed design is described. The theory is presented as a computational model and features of implementations are summarized where appropriate. To demonstrate the versatility of the methodology we focus on four seemingly disparate aspects of the design process and their interaction: (1) conceptual design, (2) qualitative optimal design, (3) design innovation, and (4) numerical global optimization.
Atomically flat single-crystalline gold nanostructures for plasmonic nanocircuitry.

PubMed

Huang, Jer-Shing; Callegari, Victor; Geisler, Peter; Brüning, Christoph; Kern, Johannes; Prangsma, Jord C; Wu, Xiaofei; Feichtner, Thorsten; Ziegler, Johannes; Weinmann, Pia; Kamp, Martin; Forchel, Alfred; Biagioni, Paolo; Sennhauser, Urs; Hecht, Bert

2010-01-01

Deep subwavelength integration of high-definition plasmonic nanostructures is of key importance in the development of future optical nanocircuitry for high-speed communication, quantum computation and lab-on-a-chip applications. To date, the experimental realization of proposed extended plasmonic networks consisting of multiple functional elements remains challenging, mainly because of the multi-crystallinity of commonly used thermally evaporated gold layers. This can produce structural imperfections in individual circuit elements that drastically reduce the yield of functional integrated nanocircuits. In this paper we demonstrate the use of large (>100 μm(2)) but thin (<80 nm) chemically grown single-crystalline gold flakes that, after immobilization, serve as an ideal basis for focused ion beam milling and other top-down nanofabrication techniques on any desired substrate. Using this methodology we obtain high-definition ultrasmooth gold nanostructures with superior optical properties and reproducible nano-sized features over micrometre-length scales. Our approach provides a possible solution to overcome the current fabrication bottleneck and realize high-definition plasmonic nanocircuitry.
Computational Silicon Nanophotonic Design

NASA Astrophysics Data System (ADS)

Shen, Bing

impossible. A nonlinear optimization algorithm is used to find the best permittivity distribution and a focused ion beam is used to define the fine nanostructures. Our future work lies in demonstrating active nanophotonic devices with compact footprint and high efficiency. Broadband and efficient silicon modulators, and all-optical and high-efficiency switches are envisioned with our design algorithm.
Integrating Cloud-Computing-Specific Model into Aircraft Design

NASA Astrophysics Data System (ADS)

Zhimin, Tian; Qi, Lin; Guangwen, Yang

Cloud Computing is becoming increasingly relevant, as it will enable companies involved in spreading this technology to open the door to Web 3.0. In the paper, the new categories of services introduced will slowly replace many types of computational resources currently used. In this perspective, grid computing, the basic element for the large scale supply of cloud services, will play a fundamental role in defining how those services will be provided. The paper tries to integrate cloud computing specific model into aircraft design. This work has acquired good results in sharing licenses of large scale and expensive software, such as CFD (Computational Fluid Dynamics), UG, CATIA, and so on.
Designing a Curriculum for Computer Students in the Community College.

ERIC Educational Resources Information Center

Kolatis, Maria

An overview is provided of the institutional and technological factors to be considered in designing or updating a computer science curriculum at the community college level. After underscoring the importance of the computer in today's society, the paper identifies and discusses the following considerations in curriculum design: (1) the mission of…
Designing Ubiquitous Computing to Enhance Children's Learning in Museums

ERIC Educational Resources Information Center

Hall, T.; Bannon, L.

2006-01-01

In recent years, novel paradigms of computing have emerged, which enable computational power to be embedded in artefacts and in environments in novel ways. These developments may create new possibilities for using computing to enhance learning. This paper presents the results of a design process that set out to explore interactive techniques,…

A Perspective on Computational Human Performance Models as Design Tools

NASA Technical Reports Server (NTRS)

Jones, Patricia M.

2010-01-01

The design of interactive systems, including levels of automation, displays, and controls, is usually based on design guidelines and iterative empirical prototyping. A complementary approach is to use computational human performance models to evaluate designs. An integrated strategy of model-based and empirical test and evaluation activities is particularly attractive as a methodology for verification and validation of human-rated systems for commercial space. This talk will review several computational human performance modeling approaches and their applicability to design of display and control requirements.
A CAD (Classroom Assessment Design) of a Computer Programming Course

ERIC Educational Resources Information Center

Hawi, Nazir S.

2012-01-01

This paper presents a CAD (classroom assessment design) of an entry-level undergraduate computer programming course "Computer Programming I". CAD has been the product of a long experience in teaching computer programming courses including teaching "Computer Programming I" 22 times. Each semester, CAD is evaluated and modified…
Self-assembling peptide amphiphile nanostructures for cancer therapy

NASA Astrophysics Data System (ADS)

Soukasene, Stephen

The application of nanotechnology to cancer therapy shows great promise for reducing the burden of the disease. By virtue of their size, nanoscale objects preferentially accumulate in tumor tissue through an enhanced permeability and retention (EPR) effect. However, to fully overcome the issues that limit current cancer treatments, viable nanostructures must also impart multifunctionality and be fully compatible with their biological surrounds. The self-assembling peptide amphiphile (PA) materials studied extensively in the Stupp Research Group form very biocompatible high aspect ratio nanostructures that meet these criteria. This thesis investigates the development of PA nanostructures designed to treat cancer. We first look to use the PA as a drug delivery vehicle by entrapping a small hydrophobic anti-cancer drug, camptothecin, in the core of the nanostructures. Using a solvent evaporation technique to load the drug into the PA nanofibers, we are able to improve the aqueous solubility of the molecule by nearly 30-fold. TEM and AFM studies show that entrapment of drug molecules does not disrupt the self-assembled morphology of the nanofiber. In vitro and in vivo studies are also conducted to demonstrate the bioactivity of the drug after its entrapment. As a potential platform for novel therapeutics, we next develop techniques for using light irradiation to trigger self-assembly inside the confined space of liposomes. We encapsulate PA monomers that assemble under acidic conditions along with a photoacid generator inside liposomes. Upon exposure to 254 nm light, the PA monomers self assemble inside the liposome to form nanostructures, which we observe through a quick freeze/deep etch technique that allows us to look inside the liposomes by SEM and TEM. Last of all, the development and discovery of epitopes for targeting PA nanostructures to tumors are explored. Using phage display technology we generate two groups of peptide sequences, one of which can potentially
Regulatory RNA design through evolutionary computation and strand displacement.

PubMed

Rostain, William; Landrain, Thomas E; Rodrigo, Guillermo; Jaramillo, Alfonso

2015-01-01

The discovery and study of a vast number of regulatory RNAs in all kingdoms of life over the past decades has allowed the design of new synthetic RNAs that can regulate gene expression in vivo. Riboregulators, in particular, have been used to activate or repress gene expression. However, to accelerate and scale up the design process, synthetic biologists require computer-assisted design tools, without which riboregulator engineering will remain a case-by-case design process requiring expert attention. Recently, the design of RNA circuits by evolutionary computation and adapting strand displacement techniques from nanotechnology has proven to be suited to the automated generation of DNA sequences implementing regulatory RNA systems in bacteria. Herein, we present our method to carry out such evolutionary design and how to use it to create various types of riboregulators, allowing the systematic de novo design of genetic control systems in synthetic biology.
Computer-Aided Design Applications for the Base Civil Engineering Technical Design Section.

DTIC Science & Technology

1983-09-01

4 1983.’ S DEPARTMENT OF TiHE AIR FORCE L ~j AIR UNIVERSITY * AIR FORCE INSTITUTE OF TECHNOLOGY Nam Wright- Patterson Air Force Bas, Ohio d ’rI ’ 4to...I -. L I 1it it COMPUTER-AIDED DESIGN APPLICATIONS FOR THE BASE CIVIL ENGINEERING TECHNICAL DESIGN SECTION William M. Duncan, Captain, USAF LSSR 15-83...8217 .. ’ , .. - -. . ’ . , ._, - . . - .2 , _ : ’i 1 . . . . .- J.. .. . ’ _ -i l - , . analysis and design, water supply and wastewater disposal system design, and most
Photonic effects in natural nanostructures

NASA Astrophysics Data System (ADS)

Rey GonzáLez, Rafael Ramón; Barrera Patiã+/-O, Claudia Patricia

Nature exhibits a great variety of structures and nanostructures. In particular the interaction light-matter has a strong dependence with the shape of the nanostructures. In some cases, in the so called structural color, ordered arrays of nanostructures play a very critical role. One of the most interesting color effects is the iridescence, the angular dependence of the observed color in some species of butterflies, insects, plants, beetles, fishes, birds and even in minerals. In the last years, iridescence has been related with photonic properties. In the present work, we present a theoretical study of the photonic properties for different patterns that exist in natural nanostructures present in wings of butterflies that exhibit iridescence. The nanostructures observed in these cases present spatial variations of the dielectric constant that are possible to model them as 1D and 2D photonic crystal. Partial photonic gaps are found as function of lattice constant, dielectric contrast and geometrical configuration. Also, disordered effects are considered. Authors would like to thank the División de Investigación Sede Bogotá for their financial support at Universidad Nacional de Colombia.
Nanostructure based EO/IR sensor development for homeland security applications

NASA Astrophysics Data System (ADS)

Sood, Ashok K.; Welser, Roger E.; Sood, Adam W.; Puri, Yash R.; Manzur, Tariq; Dhar, Nibir K.; Polla, Dennis L.; Wang, Zhong L.; Wijewarnasuriya, Priyalal S.; Anwar, A. F. M.

2011-06-01

Next Generation EO/IR focal plane arrays using nanostructure materials are being developed for a variety of Defense and Homeland Security Sensor Applications. Several different nanomaterials are being evaluated for these applications. These include ZnO nanowires, GaN Nanowires and II-VI nanowires, which have demonstrated large signal to noise ratio as a wide band gap nanostructure material in the UV band. Similarly, the work is under way using Carbon Nanotubes (CNT) for a high speed detector and focal plane array as two-dimensional array as bolometer for IR bands of interest, which can be implemented for the sensors for homeland security applications. In this paper, we will discuss the sensor design and model predicting performance of an EO/IR focal plane array and Sensor that can cover the UV to IR bands of interest. The model can provide a robust means for comparing performance of the EO/IR FPA's and Sensors that can operate in the UV, Visible-NIR (0.4- 1.8μ), SWIR (2.0-2.5μ), MWIR (3-5μ), and LWIR bands (8-14μ). This model can be used as a tool for predicting performance of nanostructure arrays under development. We will also discuss our results on growth and characterization of ZnO nanowires and CNT's for the next generation sensor applications. We also present several approaches for integrated energy harvesting using nanostructure based solar cells and Nanogenerators that can be used to supplement the energy required for nanostructure based sensors.
Chemical Sensors Based on Metal Oxide Nanostructures

NASA Technical Reports Server (NTRS)

Hunter, Gary W.; Xu, Jennifer C.; Evans, Laura J.; VanderWal, Randy L.; Berger, Gordon M.; Kulis, Mike J.; Liu, Chung-Chiun

2006-01-01

This paper is an overview of sensor development based on metal oxide nanostructures. While nanostructures such as nanorods show significan t potential as enabling materials for chemical sensors, a number of s ignificant technical challenges remain. The major issues addressed in this work revolve around the ability to make workable sensors. This paper discusses efforts to address three technical barriers related t o the application of nanostructures into sensor systems: 1) Improving contact of the nanostructured materials with electrodes in a microse nsor structure; 2) Controling nanostructure crystallinity to allow co ntrol of the detection mechanism; and 3) Widening the range of gases that can be detected by using different nanostructured materials. It is concluded that while this work demonstrates useful tools for furt her development, these are just the beginning steps towards realizati on of repeatable, controlled sensor systems using oxide based nanostr uctures.
Effect of nanostructures orientation on electroosmotic flow in a microfluidic channel

NASA Astrophysics Data System (ADS)

Eng Lim, An; Lim, Chun Yee; Cheong Lam, Yee; Taboryski, Rafael; Rui Wang, Shu

2017-06-01

Electroosmotic flow (EOF) is an electric-field-induced fluid flow that has numerous micro-/nanofluidic applications, ranging from pumping to chemical and biomedical analyses. Nanoscale networks/structures are often integrated in microchannels for a broad range of applications, such as electrophoretic separation of biomolecules, high reaction efficiency catalytic microreactors, and enhancement of heat transfer and sensing. Their introduction has been known to reduce EOF. Hitherto, a proper study on the effect of nanostructures orientation on EOF in a microfluidic channel is yet to be carried out. In this investigation, we present a novel fabrication method for nanostructure designs that possess maximum orientation difference, i.e. parallel versus perpendicular indented nanolines, to examine the effect of nanostructures orientation on EOF. It consists of four phases: fabrication of silicon master, creation of mold insert via electroplating, injection molding with cyclic olefin copolymer, and thermal bonding and integration of practical inlet/outlet ports. The effect of nanostructures orientation on EOF was studied experimentally by current monitoring method. The experimental results show that nanolines which are perpendicular to the microchannel reduce the EOF velocity significantly (approximately 20%). This flow velocity reduction is due to the distortion of local electric field by the perpendicular nanolines at the nanostructured surface as demonstrated by finite element simulation. In contrast, nanolines which are parallel to the microchannel have no effect on EOF, as it can be deduced that the parallel nanolines do not distort the local electric field. The outcomes of this investigation contribute to the precise control of EOF in lab-on-chip devices, and fundamental understanding of EOF in devices which utilize nanostructured surfaces for chemical and biological analyses.
Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, Earl A.; Lipshutz, Robert J.; Morris, Macdonald S.; Winkler, James L.

1997-01-01

An improved set of computer tools for forming arrays. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks.
Designers' models of the human-computer interface

NASA Technical Reports Server (NTRS)

Gillan, Douglas J.; Breedin, Sarah D.

1993-01-01

Understanding design models of the human-computer interface (HCI) may produce two types of benefits. First, interface development often requires input from two different types of experts: human factors specialists and software developers. Given the differences in their backgrounds and roles, human factors specialists and software developers may have different cognitive models of the HCI. Yet, they have to communicate about the interface as part of the design process. If they have different models, their interactions are likely to involve a certain amount of miscommunication. Second, the design process in general is likely to be guided by designers' cognitive models of the HCI, as well as by their knowledge of the user, tasks, and system. Designers do not start with a blank slate; rather they begin with a general model of the object they are designing. The author's approach to a design model of the HCI was to have three groups make judgments of categorical similarity about the components of an interface: human factors specialists with HCI design experience, software developers with HCI design experience, and a baseline group of computer users with no experience in HCI design. The components of the user interface included both display components such as windows, text, and graphics, and user interaction concepts, such as command language, editing, and help. The judgments of the three groups were analyzed using hierarchical cluster analysis and Pathfinder. These methods indicated, respectively, how the groups categorized the concepts, and network representations of the concepts for each group. The Pathfinder analysis provides greater information about local, pairwise relations among concepts, whereas the cluster analysis shows global, categorical relations to a greater extent.
Interplay of Computer and Paper-Based Sketching in Graphic Design

ERIC Educational Resources Information Center

Pan, Rui; Kuo, Shih-Ping; Strobel, Johannes

2013-01-01

The purpose of this study is to investigate student designers' attitude and choices towards the use of computers and paper sketches when involved in a graphic design process. 65 computer graphic technology undergraduates participated in this research. A mixed method study with survey and in-depth interviews was applied to answer the research…
Design and Computational/Experimental Analysis of Low Sonic Boom Configurations

NASA Technical Reports Server (NTRS)

Cliff, Susan E.; Baker, Timothy J.; Hicks, Raymond M.

1999-01-01

Recent studies have shown that inviscid CFD codes combined with a planar extrapolation method give accurate sonic boom pressure signatures at distances greater than one body length from supersonic configurations if either adapted grids swept at the approximate Mach angle or very dense non-adapted grids are used. The validation of CFD for computing sonic boom pressure signatures provided the confidence needed to undertake the design of new supersonic transport configurations with low sonic boom characteristics. An aircraft synthesis code in combination with CFD and an extrapolation method were used to close the design. The principal configuration of this study is designated LBWT (Low Boom Wing Tail) and has a highly swept cranked arrow wing with conventional tails, and was designed to accommodate either 3 or 4 engines. The complete configuration including nacelles and boundary layer diverters was evaluated using the AIRPLANE code. This computer program solves the Euler equations on an unstructured tetrahedral mesh. Computations and wind tunnel data for the LBWT and two other low boom configurations designed at NASA Ames Research Center are presented. The two additional configurations are included to provide a basis for comparing the performance and sonic boom level of the LBWT with contemporary low boom designs and to give a broader experiment/CFD correlation study. The computational pressure signatures for the three configurations are contrasted with on-ground-track near-field experimental data from the NASA Ames 9x7 Foot Supersonic Wind Tunnel. Computed pressure signatures for the LBWT are also compared with experiment at approximately 15 degrees off ground track.
Design and realization of transparent solar modules based on luminescent solar concentrators integrating nanostructured photonic crystals.

PubMed

Jiménez-Solano, Alberto; Delgado-Sánchez, José-Maria; Calvo, Mauricio E; Miranda-Muñoz, José M; Lozano, Gabriel; Sancho, Diego; Sánchez-Cortezón, Emilio; Míguez, Hernán

2015-12-01

Herein, we present a prototype of a photovoltaic module that combines a luminescent solar concentrator integrating one-dimensional photonic crystals and in-plane CuInGaSe 2 (CIGS) solar cells. Highly uniform and wide-area nanostructured multilayers with photonic crystal properties were deposited by a cost-efficient and scalable liquid processing amenable to large-scale fabrication. Their role is to both maximize light absorption in the targeted spectral range, determined by the fluorophore employed, and minimize losses caused by emission at angles within the escape cone of the planar concentrator. From a structural perspective, the porous nature of the layers facilitates the integration with the thermoplastic polymers typically used to encapsulate and seal these modules. Judicious design of the module geometry, as well as of the optical properties of the dielectric mirrors employed, allows optimizing light guiding and hence photovoltaic performance while preserving a great deal of transparency. Optimized in-plane designs like the one herein proposed are of relevance for building integrated photovoltaics, as ease of fabrication, long-term stability and improved performance are simultaneously achieved. © 2015 The Authors. Progress in Photovoltaics: Research and Applications published by John Wiley & Sons Ltd.
Design and realization of transparent solar modules based on luminescent solar concentrators integrating nanostructured photonic crystals

PubMed Central

Jiménez‐Solano, Alberto; Delgado‐Sánchez, José‐Maria; Calvo, Mauricio E.; Miranda‐Muñoz, José M.; Lozano, Gabriel; Sancho, Diego; Sánchez‐Cortezón, Emilio

2015-01-01

Abstract Herein, we present a prototype of a photovoltaic module that combines a luminescent solar concentrator integrating one‐dimensional photonic crystals and in‐plane CuInGaSe2 (CIGS) solar cells. Highly uniform and wide‐area nanostructured multilayers with photonic crystal properties were deposited by a cost‐efficient and scalable liquid processing amenable to large‐scale fabrication. Their role is to both maximize light absorption in the targeted spectral range, determined by the fluorophore employed, and minimize losses caused by emission at angles within the escape cone of the planar concentrator. From a structural perspective, the porous nature of the layers facilitates the integration with the thermoplastic polymers typically used to encapsulate and seal these modules. Judicious design of the module geometry, as well as of the optical properties of the dielectric mirrors employed, allows optimizing light guiding and hence photovoltaic performance while preserving a great deal of transparency. Optimized in‐plane designs like the one herein proposed are of relevance for building integrated photovoltaics, as ease of fabrication, long‐term stability and improved performance are simultaneously achieved. © 2015 The Authors. Progress in Photovoltaics: Research and Applications published by John Wiley & Sons Ltd. PMID:27656090
A design methodology for portable software on parallel computers

NASA Technical Reports Server (NTRS)

Nicol, David M.; Miller, Keith W.; Chrisman, Dan A.

1993-01-01

This final report for research that was supported by grant number NAG-1-995 documents our progress in addressing two difficulties in parallel programming. The first difficulty is developing software that will execute quickly on a parallel computer. The second difficulty is transporting software between dissimilar parallel computers. In general, we expect that more hardware-specific information will be included in software designs for parallel computers than in designs for sequential computers. This inclusion is an instance of portability being sacrificed for high performance. New parallel computers are being introduced frequently. Trying to keep one's software on the current high performance hardware, a software developer almost continually faces yet another expensive software transportation. The problem of the proposed research is to create a design methodology that helps designers to more precisely control both portability and hardware-specific programming details. The proposed research emphasizes programming for scientific applications. We completed our study of the parallelizability of a subsystem of the NASA Earth Radiation Budget Experiment (ERBE) data processing system. This work is summarized in section two. A more detailed description is provided in Appendix A ('Programming Practices to Support Eventual Parallelism'). Mr. Chrisman, a graduate student, wrote and successfully defended a Ph.D. dissertation proposal which describes our research associated with the issues of software portability and high performance. The list of research tasks are specified in the proposal. The proposal 'A Design Methodology for Portable Software on Parallel Computers' is summarized in section three and is provided in its entirety in Appendix B. We are currently studying a proposed subsystem of the NASA Clouds and the Earth's Radiant Energy System (CERES) data processing system. This software is the proof-of-concept for the Ph.D. dissertation. We have implemented and measured
The Development of Metal Oxide Chemical Sensing Nanostructures

NASA Technical Reports Server (NTRS)

Hunter, G. W.; VanderWal,R. L.; Xu, J. C.; Evans, L. J.; Berger, G. M.; Kulis, M. J.

2008-01-01

This paper discusses sensor development based on metal oxide nanostructures and microsystems technology. While nanostructures such as nanowires show significant potential as enabling materials for chemical sensors, a number of significant technical challenges remain. This paper discusses development to address each of these technical barriers: 1) Improved contact and integration of the nanostructured materials with microsystems in a sensor structure; 2) Control of nanostructure crystallinity to allow control of the detection mechanism; and 3) Widening the range of gases that can be detected by fabricating multiple nanostructured materials. A sensor structure composed of three nanostructured oxides aligned on a single microsensor has been fabricated and tested. Results of this testing are discussed and future development approaches are suggested. It is concluded that while this work lays the foundation for further development, these are the beginning steps towards realization of repeatable, controlled sensor systems using oxide based nanostructures.
High-efficiency nanostructured silicon solar cells on a large scale realized through the suppression of recombination channels.

PubMed

Zhong, Sihua; Huang, Zengguang; Lin, Xingxing; Zeng, Yang; Ma, Yechi; Shen, Wenzhong

2015-01-21

Nanostructured silicon solar cells show great potential for new-generation photovoltaics due to their ability to approach ideal light-trapping. However, the nanofeatured morphology that brings about the optical benefits also introduces new recombination channels, and severe deterioration in the electrical performance even outweighs the gain in optics in most attempts. This Research News article aims to review the recent progress in the suppression of carrier recombination in silicon nanostructures, with the emphasis on the optimization of surface morphology and controllable nanostructure height and emitter doping concentration, as well as application of dielectric passivation coatings, providing design rules to realize high-efficiency nanostructured silicon solar cells on a large scale. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, Earl A.; Morris, MacDonald S.; Winkler, James L.

1999-01-05

An improved set of computer tools for forming arrays. According to one aspect of the invention, a computer system (100) is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files (104) to design and/or generate lithographic masks (110).
Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, Earl A.; Morris, MacDonald S.; Winkler, James L.

1996-01-01

An improved set of computer tools for forming arrays. According to one aspect of the invention, a computer system (100) is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files (104) to design and/or generate lithographic masks (110).

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, E.A.; Morris, M.S.; Winkler, J.L.

1999-01-05

An improved set of computer tools for forming arrays is disclosed. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks. 14 figs.
Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, E.A.; Lipshutz, R.J.; Morris, M.S.; Winkler, J.L.

1997-01-14

An improved set of computer tools for forming arrays is disclosed. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks. 14 figs.
Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, E.A.; Morris, M.S.; Winkler, J.L.

1996-11-05

An improved set of computer tools for forming arrays is disclosed. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks. 14 figs.
Personal Computing and Academic Library Design.

ERIC Educational Resources Information Center

Bazillion, Richard J.

1992-01-01

Notebook computers of increasing power and portability offer unique advantages to library users. Connecting easily to a campus data network, they are small silent work stations capable of drawing information from a variety of sources. Designers of new library buildings may assume that users in growing numbers will carry these multipurpose…
Computational Design of Animated Mechanical Characters

NASA Astrophysics Data System (ADS)

Coros, Stelian; Thomaszewski, Bernhard; DRZ Team Team

2014-03-01

A factor key to the appeal of modern CG movies and video-games is that the virtual worlds they portray place no bounds on what can be imagined. Rapid manufacturing devices hold the promise of bringing this type of freedom to our own world, by enabling the fabrication of physical objects whose appearance, deformation behaviors and motions can be precisely specified. In order to unleash the full potential of this technology however, computational design methods that create digital content suitable for fabrication need to be developed. In recent work, we presented a computational design system that allows casual users to create animated mechanical characters. Given an articulated character as input, the user designs the animated character by sketching motion curves indicating how they should move. For each motion curve, our framework creates an optimized mechanism that reproduces it as closely as possible. The resulting mechanisms are attached to the character and then connected to each other using gear trains, which are created in a semi-automated fashion. The mechanical assemblies generated with our system can be driven with a single input driver, such as a hand-operated crank or an electric motor, and they can be fabricated using rapid prototyping devices.
Nanostructural hierarchy increases the strength of aluminium alloys.

PubMed

Liddicoat, Peter V; Liao, Xiao-Zhou; Zhao, Yonghao; Zhu, Yuntian; Murashkin, Maxim Y; Lavernia, Enrique J; Valiev, Ruslan Z; Ringer, Simon P

2010-09-07

Increasing the strength of metallic alloys while maintaining formability is an interesting challenge for enabling new generations of lightweight structures and technologies. In this paper, we engineer aluminium alloys to contain a hierarchy of nanostructures and possess mechanical properties that expand known performance boundaries-an aerospace-grade 7075 alloy exhibits a yield strength and uniform elongation approaching 1 GPa and 5%, respectively. The nanostructural architecture was observed using novel high-resolution microscopy techniques and comprises a solid solution, free of precipitation, featuring (i) a high density of dislocations, (ii) subnanometre intragranular solute clusters, (iii) two geometries of nanometre-scale intergranular solute structures and (iv) grain sizes tens of nanometres in diameter. Our results demonstrate that this novel architecture offers a design pathway towards a new generation of super-strong materials with new regimes of property-performance space.
Topology optimization aided structural design: Interpretation, computational aspects and 3D printing.

PubMed

Kazakis, Georgios; Kanellopoulos, Ioannis; Sotiropoulos, Stefanos; Lagaros, Nikos D

2017-10-01

Construction industry has a major impact on the environment that we spend most of our life. Therefore, it is important that the outcome of architectural intuition performs well and complies with the design requirements. Architects usually describe as "optimal design" their choice among a rather limited set of design alternatives, dictated by their experience and intuition. However, modern design of structures requires accounting for a great number of criteria derived from multiple disciplines, often of conflicting nature. Such criteria derived from structural engineering, eco-design, bioclimatic and acoustic performance. The resulting vast number of alternatives enhances the need for computer-aided architecture in order to increase the possibility of arriving at a more preferable solution. Therefore, the incorporation of smart, automatic tools in the design process, able to further guide designer's intuition becomes even more indispensable. The principal aim of this study is to present possibilities to integrate automatic computational techniques related to topology optimization in the phase of intuition of civil structures as part of computer aided architectural design. In this direction, different aspects of a new computer aided architectural era related to the interpretation of the optimized designs, difficulties resulted from the increased computational effort and 3D printing capabilities are covered here in.
Structural and Computational Biology in the Design of Immunogenic Vaccine Antigens

PubMed Central

Liljeroos, Lassi; Malito, Enrico; Ferlenghi, Ilaria; Bottomley, Matthew James

2015-01-01

Vaccination is historically one of the most important medical interventions for the prevention of infectious disease. Previously, vaccines were typically made of rather crude mixtures of inactivated or attenuated causative agents. However, over the last 10–20 years, several important technological and computational advances have enabled major progress in the discovery and design of potently immunogenic recombinant protein vaccine antigens. Here we discuss three key breakthrough approaches that have potentiated structural and computational vaccine design. Firstly, genomic sciences gave birth to the field of reverse vaccinology, which has enabled the rapid computational identification of potential vaccine antigens. Secondly, major advances in structural biology, experimental epitope mapping, and computational epitope prediction have yielded molecular insights into the immunogenic determinants defining protective antigens, enabling their rational optimization. Thirdly, and most recently, computational approaches have been used to convert this wealth of structural and immunological information into the design of improved vaccine antigens. This review aims to illustrate the growing power of combining sequencing, structural and computational approaches, and we discuss how this may drive the design of novel immunogens suitable for future vaccines urgently needed to increase the global prevention of infectious disease. PMID:26526043
Structural and Computational Biology in the Design of Immunogenic Vaccine Antigens.

PubMed

Liljeroos, Lassi; Malito, Enrico; Ferlenghi, Ilaria; Bottomley, Matthew James

2015-01-01

Vaccination is historically one of the most important medical interventions for the prevention of infectious disease. Previously, vaccines were typically made of rather crude mixtures of inactivated or attenuated causative agents. However, over the last 10-20 years, several important technological and computational advances have enabled major progress in the discovery and design of potently immunogenic recombinant protein vaccine antigens. Here we discuss three key breakthrough approaches that have potentiated structural and computational vaccine design. Firstly, genomic sciences gave birth to the field of reverse vaccinology, which has enabled the rapid computational identification of potential vaccine antigens. Secondly, major advances in structural biology, experimental epitope mapping, and computational epitope prediction have yielded molecular insights into the immunogenic determinants defining protective antigens, enabling their rational optimization. Thirdly, and most recently, computational approaches have been used to convert this wealth of structural and immunological information into the design of improved vaccine antigens. This review aims to illustrate the growing power of combining sequencing, structural and computational approaches, and we discuss how this may drive the design of novel immunogens suitable for future vaccines urgently needed to increase the global prevention of infectious disease.
Could Nano-Structured Materials Enable the Improved Pressure Vessels for Deep Atmospheric Probes?

NASA Technical Reports Server (NTRS)

Srivastava, D.; Fuentes, A.; Bienstock, B.; Arnold, J. O.

2005-01-01

A viewgraph presentation on the use of Nano-Structured Materials to enable pressure vessel structures for deep atmospheric probes is shown. The topics include: 1) High Temperature/Pressure in Key X-Environments; 2) The Case for Use of Nano-Structured Materials Pressure Vessel Design; 3) Carbon based Nanomaterials; 4) Nanotube production & purification; 5) Nanomechanics of Carbon Nanotubes; 6) CNT-composites: Example (Polymer); 7) Effect of Loading sequence on Composite with 8% by volume; 8) Models for Particulate Reinforced Composites; 9) Fullerene/Ti Composite for High Strength-Insulating Layer; 10) Fullerene/Epoxy Composite for High Strength-Insulating Layer; 11) Models for Continuous Fiber Reinforced Composites; 12) Tensile Strength for Discontinuous Fiber Composite; 13) Ti + SWNT Composites: Thermal/Mechanical; 14) Ti + SWNT Composites: Tensile Strength; and 15) Nano-structured Shell for Pressure Vessels.
Nanostructures having crystalline and amorphous phases

DOEpatents

Mao, Samuel S; Chen, Xiaobo

2015-04-28

The present invention includes a nanostructure, a method of making thereof, and a method of photocatalysis. In one embodiment, the nanostructure includes a crystalline phase and an amorphous phase in contact with the crystalline phase. Each of the crystalline and amorphous phases has at least one dimension on a nanometer scale. In another embodiment, the nanostructure includes a nanoparticle comprising a crystalline phase and an amorphous phase. The amorphous phase is in a selected amount. In another embodiment, the nanostructure includes crystalline titanium dioxide and amorphous titanium dioxide in contact with the crystalline titanium dioxide. Each of the crystalline and amorphous titanium dioxide has at least one dimension on a nanometer scale.
Computer-aided drug design for AMP-activated protein kinase activators.

PubMed

Wang, Zhanli; Huo, Jianxin; Sun, Lidan; Wang, Yongfu; Jin, Hongwei; Yu, Hui; Zhang, Liangren; Zhou, Lishe

2011-09-01

AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer. Recently, various classes of compounds that activate AMPK by direct or indirect interactions have been reported. The importance of computer-aided drug design approaches in the search for potent activators of AMPK is now established, including structure-based design, ligand-based design, fragment-based design, as well as structural analysis. This review article highlights the computer-aided drug design approaches utilized to discover of activators targeting AMPK. The principles, advantages or limitation of the different methods are also being discussed together with examples of applications taken from the literatures.
Computer-aided design of polymers and composites

NASA Technical Reports Server (NTRS)

Kaelble, D. H.

1985-01-01

This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.
Design for a Manufacturing Method for Memristor-Based Neuromorphic Computing Processors

DTIC Science & Technology

2013-03-01

DESIGN FOR A MANUFACTURING METHOD FOR MEMRISTOR- BASED NEUROMORPHIC COMPUTING PROCESSORS UNIVERSITY OF PITTSBURGH MARCH 2013...BASED NEUROMORPHIC COMPUTING PROCESSORS 5a. CONTRACT NUMBER FA8750-11-1-0271 5b. GRANT NUMBER N/A 5c. PROGRAM ELEMENT NUMBER 62788F 6. AUTHOR(S...synapses and implemented a neuromorphic computing system based on our proposed synapse designs. The robustness of our system is also evaluated by
The Evolution of Instructional Design Principles for Intelligent Computer-Assisted Instruction.

ERIC Educational Resources Information Center

Dede, Christopher; Swigger, Kathleen

1988-01-01

Discusses and compares the design and development of computer assisted instruction (CAI) and intelligent computer assisted instruction (ICAI). Topics discussed include instructional systems design (ISD), artificial intelligence, authoring languages, intelligent tutoring systems (ITS), qualitative models, and emerging issues in instructional…
Accelerated sintering in phase-separating nanostructured alloys

PubMed Central

Park, Mansoo; Schuh, Christopher A.

2015-01-01

Sintering of powders is a common means of producing bulk materials when melt casting is impossible or does not achieve a desired microstructure, and has long been pursued for nanocrystalline materials in particular. Acceleration of sintering is desirable to lower processing temperatures and times, and thus to limit undesirable microstructure evolution. Here we show that markedly enhanced sintering is possible in some nanocrystalline alloys. In a nanostructured W–Cr alloy, sintering sets on at a very low temperature that is commensurate with phase separation to form a Cr-rich phase with a nanoscale arrangement that supports rapid diffusional transport. The method permits bulk full density specimens with nanoscale grains, produced during a sintering cycle involving no applied stress. We further show that such accelerated sintering can be evoked by design in other nanocrystalline alloys, opening the door to a variety of nanostructured bulk materials processed in arbitrary shapes from powder inputs. PMID:25901420
Curriculum Design of Computer Graphics Programs: A Survey of Art/Design Programs at the University Level.

ERIC Educational Resources Information Center

McKee, Richard Lee

This master's thesis reports the results of a survey submitted to over 30 colleges and universities that currently offer computer graphics courses or are in the planning stage of curriculum design. Intended to provide a profile of the computer graphics programs and insight into the process of curriculum design, the survey gathered data on program…
In vitro selection of shape-changing DNA nanostructures capable of binding-induced cargo release.

PubMed

Oh, Seung Soo; Plakos, Kory; Xiao, Yi; Eisenstein, Michael; Soh, H Tom

2013-11-26

Many biological systems employ allosteric regulatory mechanisms, which offer a powerful means of directly linking a specific binding event to a wide spectrum of molecular functionalities. There is considerable interest in generating synthetic allosteric regulators that can perform useful molecular functions for applications in diagnostics, imaging and targeted therapies, but generating such molecules through either rational design or directed evolution has proven exceptionally challenging. To address this need, we present an in vitro selection strategy for generating conformation-switching DNA nanostructures that selectively release a small-molecule payload in response to binding of a specific trigger molecule. As an exemplar, we have generated a DNA nanostructure that hybridizes with a separate 'cargo strand' containing an abasic site. This abasic site stably sequesters a fluorescent cargo molecule in an inactive state until the DNA nanostructure encounters an ATP trigger molecule. This ATP trigger causes the nanostructure to release the cargo strand, thereby liberating the fluorescent payload and generating a detectable fluorescent readout. Our DNA nanostructure is highly sensitive, with an EC50 of 30 μM, and highly specific, releasing its payload in response to ATP but not to other chemically similar nucleotide triphosphates. We believe that this selection approach could be generalized to generate synthetic nanostructures capable of selective and controlled release of other small-molecule cargos in response to a variety of triggers, for both research and clinical applications.
Mechanisms of Enhanced Catalysis in Enzyme-DNA Nanostructures Revealed through Molecular Simulations and Experimental Analysis.

PubMed

Gao, Yingning; Roberts, Christopher C; Toop, Aaron; Chang, Chia-En A; Wheeldon, Ian

2016-08-03

Understanding and controlling the molecular interactions between enzyme substrates and DNA nanostructures has important implications in the advancement of enzyme-DNA technologies as solutions in biocatalysis. Such hybrid nanostructures can be used to create enzyme systems with enhanced catalysis by controlling the local chemical and physical environments and the spatial organization of enzymes. Here we have used molecular simulations with corresponding experiments to describe a mechanism of enhanced catalysis due to locally increased substrate concentrations. With a series of DNA nanostructures conjugated to horseradish peroxidase, we show that binding interactions between substrates and the DNA structures can increase local substrate concentrations. Increased local substrate concentrations in HRP(DNA) nanostructures resulted in 2.9- and 2.4-fold decreases in the apparent Michaelis constants of tetramethylbenzidine and 4-aminophenol, substrates of HRP with tunable binding interactions to DNA nanostructures with dissociation constants in the micromolar range. Molecular simulations and kinetic analysis also revealed that increased local substrate concentrations enhanced the rates of substrate association. Identification of the mechanism of increased local concentration of substrates in close proximity to enzymes and their active sites adds to our understanding of nanostructured biocatalysis from which we can develop guidelines for enhancing catalysis in rationally designed systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Quantitative 3D electromagnetic field determination of 1D nanostructures from single projection

DOE PAGES

Phatak, C.; Knoop, L. de; Houdellier, F.; ...

2016-05-01

One-dimensional (1D) nanostructures have been regarded as the most promising building blocks for nanoelectronics and nanocomposite material systems as well as for alternative energy applications. Although they result in confinement of a material, their properties and interactions with other nanostructures are still very much three-dimensional (3D) in nature. In this work, we present a novel method for quantitative determination of the 3D electromagnetic fields in and around 1D nanostructures using a single electron wave phase image, thereby eliminating the cumbersome acquisition of tomographic data. Using symmetry arguments, we have reconstructed the 3D magnetic field of a nickel nanowire as wellmore » as the 3D electric field around a carbon nanotube field emitter, from one single projection. The accuracy of quantitative values determined here is shown to be a better fit to the physics at play than the value obtained by conventional analysis. Moreover the 3D reconstructions can then directly be visualized and used in the design of functional 3D architectures built using 1D nanostructures.« less

Quantitative 3D electromagnetic field determination of 1D nanostructures from single projection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phatak, C.; Knoop, L. de; Houdellier, F.

One-dimensional (1D) nanostructures have been regarded as the most promising building blocks for nanoelectronics and nanocomposite material systems as well as for alternative energy applications. Although they result in confinement of a material, their properties and interactions with other nanostructures are still very much three-dimensional (3D) in nature. In this work, we present a novel method for quantitative determination of the 3D electromagnetic fields in and around 1D nanostructures using a single electron wave phase image, thereby eliminating the cumbersome acquisition of tomographic data. Using symmetry arguments, we have reconstructed the 3D magnetic field of a nickel nanowire as wellmore » as the 3D electric field around a carbon nanotube field emitter, from one single projection. The accuracy of quantitative values determined here is shown to be a better fit to the physics at play than the value obtained by conventional analysis. Moreover the 3D reconstructions can then directly be visualized and used in the design of functional 3D architectures built using 1D nanostructures.« less
Nanostructure Diffraction Gratings for Integrated Spectroscopy and Sensing

NASA Technical Reports Server (NTRS)

Guo, Junpeng (Inventor)

2015-01-01

The present disclosure pertains to metal or dielectric nanostructures of the subwavelength scale within the grating lines of optical diffraction gratings. The nanostructures have surface plasmon resonances or non-plasmon optical resonances. A linear photodetector array is used to capture the resonance spectra from one of the diffraction orders. The combined nanostructure super-grating and photodetector array eliminates the use of external optical spectrometers for measuring surface plasmon or optical resonance frequency shift caused by the presence of chemical and biological agents. The nanostructure super-gratings can be used for building integrated surface enhanced Raman scattering (SERS) spectrometers. The nanostructures within the diffraction grating lines enhance Raman scattering signal light while the diffraction grating pattern of the nanostructures diffracts Raman scattering light to different directions of propagation according to their wavelengths. Therefore, the nanostructure super-gratings allows for the use of a photodetector array to capture the surface enhanced Raman scattering spectra.
Nanostructure Diffraction Gratings for Integrated Spectroscopy and Sensing

NASA Technical Reports Server (NTRS)

Guo, Junpeng (Inventor)

2016-01-01

The present disclosure pertains to metal or dielectric nanostructures of the subwavelength scale within the grating lines of optical diffraction gratings. The nanostructures have surface plasmon resonances or non-plasmon optical resonances. A linear photodetector array is used to capture the resonance spectra from one of the diffraction orders. The combined nanostructure super-grating and photodetector array eliminates the use of external optical spectrometers for measuring surface plasmon or optical resonance frequency shift caused by the presence of chemical and biological agents. The nanostructure super-gratings can be used for building integrated surface enhanced Raman scattering (SERS) spectrometers. The nanostructures within the diffraction grating lines enhance Raman scattering signal light while the diffraction grating pattern of the nanostructures diffracts Raman scattering light to different directions of propagation according to their wavelengths. Therefore, the nanostructure super-gratings allows for the use of a photodetector array to capture the surface enhanced Raman scattering spectra.
Computational protein design-the next generation tool to expand synthetic biology applications.

PubMed

Gainza-Cirauqui, Pablo; Correia, Bruno Emanuel

2018-05-02

One powerful approach to engineer synthetic biology pathways is the assembly of proteins sourced from one or more natural organisms. However, synthetic pathways often require custom functions or biophysical properties not displayed by natural proteins, limitations that could be overcome through modern protein engineering techniques. Structure-based computational protein design is a powerful tool to engineer new functional capabilities in proteins, and it is beginning to have a profound impact in synthetic biology. Here, we review efforts to increase the capabilities of synthetic biology using computational protein design. We focus primarily on computationally designed proteins not only validated in vitro, but also shown to modulate different activities in living cells. Efforts made to validate computational designs in cells can illustrate both the challenges and opportunities in the intersection of protein design and synthetic biology. We also highlight protein design approaches, which although not validated as conveyors of new cellular function in situ, may have rapid and innovative applications in synthetic biology. We foresee that in the near-future, computational protein design will vastly expand the functional capabilities of synthetic cells. Copyright © 2018. Published by Elsevier Ltd.
Thin film thermocouples for thermoelectric characterization of nanostructured materials

NASA Astrophysics Data System (ADS)

Grayson, Matthew; Zhou, Chuanle; Varrenti, Andrew; Chyung, Seung Hye; Long, Jieyi; Memik, Seda

2011-03-01

The increased use of nanostructured materials as thermoelectrics requires reliable and accurate characterization of the anisotropic thermal coefficients of small structures, such as superlattices and quantum wire networks. Thin evaporated metal films can be used to create thermocouples with a very small thermal mass and low thermal conductivity, in order to measure thermal gradients on nanostructures and thereby measure the thermal conductivity and the Seebeck coefficient of the nanostructure. In this work we confirm the known result that thin metal films have lower Seebeck coefficients than bulk metals, and we also calibrate the Seebeck coefficient of a thin-film Ni/Cr thermocouple with 50 nm thickness, showing it to have about 1/4 the bulk value. We demonstrate reproducibility of this thin-filmSeebeck coefficient on multiple substrates, and we show that this coefficient does, in fact, change as a function of film thickness. We will discuss prototype measurement designs and preliminary work as to how these thin films can be used to study both Seebeck coefficients and thermal conductivities of superlattices in various geometries. The same technology can in principle be used on integrated circuits for thermal mapping, under the name ``Integrated On-Chip Thermocouple Array'' (IOTA).
A study of the vibrational modes of a nanostructure with picosecond ultrasonics

NASA Astrophysics Data System (ADS)

Antonelli, G. Andrew; Maris, Humphrey J.; Malhotra, Sandra G.; Harper, James M. E.

2002-05-01

We describe experiments in which a sub-picosecond pump light pulse is used to excite vibrations in a nanostructure. The sample consists of a periodic array of copper wires embedded in a glass matrix on a silicon substrate. The motion of the wires after excitation is detected using a time-delayed probe light pulse. From the data, it is possible to determine the frequencies νn and damping rates Γn of a number of the normal modes of the structure. These modes have frequencies lying in the range 1-30 GHz. By comparison of the measured νn and Γn with the frequencies and damping rates calculated from a computer simulation of the vibrations of the nanostructure, we have been able to identify the different normal modes and deduce their vibration patterns.
Precise replication of antireflective nanostructures from biotemplates

NASA Astrophysics Data System (ADS)

Gao, Hongjun; Liu, Zhongfan; Zhang, Jin; Zhang, Guoming; Xie, Guoyong

2007-03-01

The authors report herein a new type of nanonipple structures on the cicada's eye and the direct structural replication of the complex micro- and nanostructures for potential functional emulation. A two-step direct molding process is developed to replicate these natural micro- and nanostructures using epoxy resin with high fidelity, which demonstrates a general way of fabricating functional nanostructures by direct replication of natural biotemplates via a suitable physicochemical process. Measurements of spectral reflectance showed that this kind of replicated nanostructure has remarkable antireflective property, suggestive of its potential applications to optical devices.
High-End Computing Challenges in Aerospace Design and Engineering

NASA Technical Reports Server (NTRS)

Bailey, F. Ronald

2004-01-01

High-End Computing (HEC) has had significant impact on aerospace design and engineering and is poised to make even more in the future. In this paper we describe four aerospace design and engineering challenges: Digital Flight, Launch Simulation, Rocket Fuel System and Digital Astronaut. The paper discusses modeling capabilities needed for each challenge and presents projections of future near and far-term HEC computing requirements. NASA's HEC Project Columbia is described and programming strategies presented that are necessary to achieve high real performance.
Considerations for Explosively Driven Conical Shock Tube Design: Computations and Experiments

DTIC Science & Technology

2017-02-16

ARL-TR-7953 ● FEB 2017 US Army Research Laboratory Considerations for Explosively Driven Conical Shock Tube Design : Computations...The findings in this report are not to be construed as an official Department of the Army position unless so designated by other authorized...Considerations for Explosively Driven Conical Shock Tube Designs : Computations and Experiments by Joel B Stewart Weapons and Materials Research Directorate
Design of a fault tolerant airborne digital computer. Volume 2: Computational requirements and technology

NASA Technical Reports Server (NTRS)

Ratner, R. S.; Shapiro, E. B.; Zeidler, H. M.; Wahlstrom, S. E.; Clark, C. B.; Goldberg, J.

1973-01-01

This final report summarizes the work on the design of a fault tolerant digital computer for aircraft. Volume 2 is composed of two parts. Part 1 is concerned with the computational requirements associated with an advanced commercial aircraft. Part 2 reviews the technology that will be available for the implementation of the computer in the 1975-1985 period. With regard to the computation task 26 computations have been categorized according to computational load, memory requirements, criticality, permitted down-time, and the need to save data in order to effect a roll-back. The technology part stresses the impact of large scale integration (LSI) on the realization of logic and memory. Also considered was module interconnection possibilities so as to minimize fault propagation.
Design study of Software-Implemented Fault-Tolerance (SIFT) computer

NASA Technical Reports Server (NTRS)

Wensley, J. H.; Goldberg, J.; Green, M. W.; Kutz, W. H.; Levitt, K. N.; Mills, M. E.; Shostak, R. E.; Whiting-Okeefe, P. M.; Zeidler, H. M.

1982-01-01

Software-implemented fault tolerant (SIFT) computer design for commercial aviation is reported. A SIFT design concept is addressed. Alternate strategies for physical implementation are considered. Hardware and software design correctness is addressed. System modeling and effectiveness evaluation are considered from a fault-tolerant point of view.
Computer-Aided Apparel Design in University Curricula.

ERIC Educational Resources Information Center

Belleau, Bonnie D.; Bourgeois, Elva B.

1991-01-01

As computer-assisted design (CAD) become an integral part of the fashion industry, universities must integrate CAD into the apparel curriculum. Louisiana State University's curriculum enables students to collaborate in CAD problem solving with industry personnel. (SK)
Manipulation of light via subwavelength nanostructures

NASA Astrophysics Data System (ADS)

Yinghong, Gu

Subwavelength nanostructures have exhibited different and controllable optical characteristics from their original material, leading a way to artificial metamaterials and metasurfaces. These nanostructures interact with light with surface plasmon resonances, cavity and waveguide modes, scattering and diffractions and etc., so they can realize the manipulation of light, which has attracted enduring and fanatic research interest, ranging from visible light, infrared light, THz to microwaves. Nanostructures, which are welldesigned and patterned to control and engineer the resonances, have realized and improved the performance of numerous optical applications such as color printing, perfect absorption, waveplates, planar lens, holograms, cloaking, optical trapping and sensing. This thesis has presents several works on manipulating light with subwavelength nanostructures, which can be generalized into two main parts. In the first part our works are manipulating far-field characteristics of light by meta-surfaces, including the high resolution color printing and imaging with spectra manipulation, and quarter wave plate (QWP) with the phase and polarization manipulation. For the color generation applications, we have presented a comprehensive literature review on the recent developments of plasmonic colors, and then we reported our ultra-high resolution nonplasmonic color printing with ultra-narrow Si fin nanostructures and an efficient TMM calculation. For the quarter wave plate, we present a series works of plasmonic QWPs including active hybrid QWPs working at multi-wavelength in visible/near-infrared light, and in THz range based on similar mechanism. The other main part is the near-field manipulation of light by nanostructures including two aspects. One is the direct excited dark modes, and the other is the photoluminescence (PL) enhancement by nanostructures. We have proposed a new mechanism to directly excite dark modes by using an electrical shorting approach with
Superhydrophobic Surface With Shape Memory Micro/Nanostructure and Its Application in Rewritable Chip for Droplet Storage.

PubMed

Lv, Tong; Cheng, Zhongjun; Zhang, Dongjie; Zhang, Enshuang; Zhao, Qianlong; Liu, Yuyan; Jiang, Lei

2016-09-21

Recently, superhydrophobic surfaces with tunable wettability have aroused much attention. Noticeably, almost all present smart performances rely on the variation of surface chemistry on static micro/nanostructure, to obtain a surface with dynamically tunable micro/nanostructure, especially that can memorize and keep different micro/nanostructures and related wettabilities, is still a challenge. Herein, by creating micro/nanostructured arrays on shape memory polymer, a superhydrophobic surface that has shape memory ability in changing and recovering its hierarchical structures and related wettabilities was reported. Meanwhile, the surface was successfully used in the rewritable functional chip for droplet storage by designing microstructure-dependent patterns, which breaks through current research that structure patterns cannot be reprogrammed. This article advances a superhydrophobic surface with shape memory hierarchical structure and the application in rewritable functional chip, which could start some fresh ideas for the development of smart superhydrophobic surface.
Toward high-resolution computational design of helical membrane protein structure and function

PubMed Central

Barth, Patrick; Senes, Alessandro

2016-01-01

The computational design of α-helical membrane proteins is still in its infancy but has made important progress. De novo design has produced stable, specific and active minimalistic oligomeric systems. Computational re-engineering can improve stability and modulate the function of natural membrane proteins. Currently, the major hurdle for the field is not computational, but the experimental characterization of the designs. The emergence of new structural methods for membrane proteins will accelerate progress PMID:27273630
Cloud Computing Techniques for Space Mission Design

NASA Technical Reports Server (NTRS)

Arrieta, Juan; Senent, Juan

2014-01-01

The overarching objective of space mission design is to tackle complex problems producing better results, and faster. In developing the methods and tools to fulfill this objective, the user interacts with the different layers of a computing system.
Shockwave Consolidation of Nanostructured Thermoelectric Materials

NASA Technical Reports Server (NTRS)

Prasad, Narasimha S.; Taylor, Patrick; Nemir, David

2014-01-01

Nanotechnology based thermoelectric materials are considered attractive for developing highly efficient thermoelectric devices. Nano-structured thermoelectric materials are predicted to offer higher ZT over bulk materials by reducing thermal conductivity and increasing electrical conductivity. Consolidation of nano-structured powders into dense materials without losing nanostructure is essential towards practical device development. Using the gas atomization process, amorphous nano-structured powders were produced. Shockwave consolidation is accomplished by surrounding the nanopowder-containing tube with explosives and then detonating. The resulting shock wave causes rapid fusing of the powders without the melt and subsequent grain growth. We have been successful in generating consolidated nano-structured bismuth telluride alloy powders by using the shockwave technique. Using these consolidated materials, several types of thermoelectric power generating devices have been developed. Shockwave consolidation is anticipated to generate large quantities of nanostructred materials expeditiously and cost effectively. In this paper, the technique of shockwave consolidation will be presented followed by Seebeck Coefficient and thermal conductivity measurements of consolidated materials. Preliminary results indicate a substantial increase in electrical conductivity due to shockwave consolidation technique.
Homo-endotaxial one-dimensional Si nanostructures

DOE PAGES

Song, Jiaming; Hudak, Bethany M.; Sims, Hunter; ...

2017-11-29

One-dimensional (1D) nanostructures are highly sought after, both for their novel electronic properties as well as for their improved functionality. However, due to their nanoscale dimensions, these properties are significantly affected by the environment in which they are embedded. Here in this paper, we report on the creation of 1D homo-endotaxial Si nanostructures, i.e. 1D Si nanostructures with a lattice structure that is uniquely different from the Si diamond lattice in which they are embedded. We use scanning tunneling microscopy and spectroscopy, scanning transmission electron microscopy, density functional theory, and conductive atomic force microscopy to elucidate their formation and properties.more » Depending on kinetic constraints during growth, they can be prepared as endotaxial 1D Si nanostructures completely embedded in crystalline Si, or underneath a stripe of amorphous Si containing a large concentration of Bi atoms. Lastly, these homo-endotaxial 1D Si nanostructures have the potential to be useful components in nanoelectronic devices based on the technologically mature Si platform.« less
Development of X-TOOLSS: Preliminary Design of Space Systems Using Evolutionary Computation

NASA Technical Reports Server (NTRS)

Schnell, Andrew R.; Hull, Patrick V.; Turner, Mike L.; Dozier, Gerry; Alverson, Lauren; Garrett, Aaron; Reneau, Jarred

2008-01-01

Evolutionary computational (EC) techniques such as genetic algorithms (GA) have been identified as promising methods to explore the design space of mechanical and electrical systems at the earliest stages of design. In this paper the authors summarize their research in the use of evolutionary computation to develop preliminary designs for various space systems. An evolutionary computational solver developed over the course of the research, X-TOOLSS (Exploration Toolset for the Optimization of Launch and Space Systems) is discussed. With the success of early, low-fidelity example problems, an outline of work involving more computationally complex models is discussed.
Inorganic nanostructure-organic polymer heterostructures useful for thermoelectric devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

See, Kevin C.; Urban, Jeffrey J.; Segalman, Rachel A.

The present invention provides for an inorganic nanostructure-organic polymer heterostructure, useful as a thermoelectric composite material, comprising (a) an inorganic nanostructure, and (b) an electrically conductive organic polymer disposed on the inorganic nanostructure. Both the inorganic nanostructure and the electrically conductive organic polymer are solution-processable.

Designing Computer-Based Assessments: Multidisciplinary Findings and Student Perspectives

ERIC Educational Resources Information Center

Dembitzer, Leah; Zelikovitz, Sarah; Kettler, Ryan J.

2017-01-01

A partnership was created between psychologists and computer programmers to develop a computer-based assessment program. Psychometric concerns of accessibility, reliability, and validity were juxtaposed with core development concepts of usability and user-centric design. Phases of development were iterative, with evaluation phases alternating with…
Method of fabrication of anchored nanostructure materials

DOEpatents

Seals, Roland D; Menchhofer, Paul A; Howe, Jane Y; Wang, Wei

2013-11-26

Methods for fabricating anchored nanostructure materials are described. The methods include heating a nano-catalyst under a protective atmosphere to a temperature ranging from about 450.degree. C. to about 1500.degree. C. and contacting the heated nano-catalysts with an organic vapor to affix carbon nanostructures to the nano-catalysts and form the anchored nanostructure material.
Alloy Design Workbench-Surface Modeling Package Developed

NASA Technical Reports Server (NTRS)

Abel, Phillip B.; Noebe, Ronald D.; Bozzolo, Guillermo H.; Good, Brian S.; Daugherty, Elaine S.

2003-01-01

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.
Computer-Aided Design in Further Education.

ERIC Educational Resources Information Center

Ingham, Peter, Ed.

This publication updates the 1982 occasional paper that was intended to foster staff awareness and assist colleges in Great Britain considering the use of computer-aided design (CAD) material in engineering courses. The paper begins by defining CAD and its place in the Integrated Business System with a brief discussion of the effect of CAD on the…
Anchored nanostructure materials and method of fabrication

DOEpatents

Seals, Roland D; Menchhofer, Paul A; Howe, Jane Y; Wang, Wei

2012-11-27

Anchored nanostructure materials and methods for their fabrication are described. The anchored nanostructure materials may utilize nano-catalysts that include powder-based or solid-based support materials. The support material may comprise metal, such as NiAl, ceramic, a cermet, or silicon or other metalloid. Typically, nanoparticles are disposed adjacent a surface of the support material. Nanostructures may be formed as anchored to nanoparticles that are adjacent the surface of the support material by heating the nano-catalysts and then exposing the nano-catalysts to an organic vapor. The nanostructures are typically single wall or multi-wall carbon nanotubes.
High-Yield Synthesis of Stoichiometric Boron Nitride Nanostructures

DOE PAGES

Nocua, José E.; Piazza, Fabrice; Weiner, Brad R.; ...

2009-01-01

Boron nimore » tride (BN) nanostructures are structural analogues of carbon nanostructures but have completely different bonding character and structural defects. They are chemically inert, electrically insulating, and potentially important in mechanical applications that include the strengthening of light structural materials. These applications require the reliable production of bulk amounts of pure BN nanostructures in order to be able to reinforce large quantities of structural materials, hence the need for the development of high-yield synthesis methods of pure BN nanostructures. Using borazine ( B 3 N 3 H 6 ) as chemical precursor and the hot-filament chemical vapor deposition (HFCVD) technique, pure BN nanostructures with cross-sectional sizes ranging between 20 and 50 nm were obtained, including nanoparticles and nanofibers. Their crystalline structure was characterized by (XRD), their morphology and nanostructure was examined by (SEM) and (TEM), while their chemical composition was studied by (EDS), (FTIR), (EELS), and (XPS). Taken altogether, the results indicate that all the material obtained is stoichiometric nanostructured BN with hexagonal and rhombohedral crystalline structure.« less
Hydrogen Gas Sensors Based on Semiconductor Oxide Nanostructures

PubMed Central

Gu, Haoshuang; Wang, Zhao; Hu, Yongming

2012-01-01

Recently, the hydrogen gas sensing properties of semiconductor oxide (SMO) nanostructures have been widely investigated. In this article, we provide a comprehensive review of the research progress in the last five years concerning hydrogen gas sensors based on SMO thin film and one-dimensional (1D) nanostructures. The hydrogen sensing mechanism of SMO nanostructures and some critical issues are discussed. Doping, noble metal-decoration, heterojunctions and size reduction have been investigated and proved to be effective methods for improving the sensing performance of SMO thin films and 1D nanostructures. The effect on the hydrogen response of SMO thin films and 1D nanostructures of grain boundary and crystal orientation, as well as the sensor architecture, including electrode size and nanojunctions have also been studied. Finally, we also discuss some challenges for the future applications of SMO nanostructured hydrogen sensors. PMID:22778599
Computational Materials Program for Alloy Design

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo

2005-01-01

The research program sponsored by this grant, "Computational Materials Program for Alloy Design", covers a period of time of enormous change in the emerging field of computational materials science. The computational materials program started with the development of the BFS method for alloys, a quantum approximate method for atomistic analysis of alloys specifically tailored to effectively deal with the current challenges in the area of atomistic modeling and to support modern experimental programs. During the grant period, the program benefited from steady growth which, as detailed below, far exceeds its original set of goals and objectives. Not surprisingly, by the end of this grant, the methodology and the computational materials program became an established force in the materials communitiy, with substantial impact in several areas. Major achievements during the duration of the grant include the completion of a Level 1 Milestone for the HITEMP program at NASA Glenn, consisting of the planning, development and organization of an international conference held at the Ohio Aerospace Institute in August of 2002, finalizing a period of rapid insertion of the methodology in the research community worlwide. The conference, attended by citizens of 17 countries representing various fields of the research community, resulted in a special issue of the leading journal in the area of applied surface science. Another element of the Level 1 Milestone was the presentation of the first version of the Alloy Design Workbench software package, currently known as "adwTools". This software package constitutes the first PC-based piece of software for atomistic simulations for both solid alloys and surfaces in the market.Dissemination of results and insertion in the materials community worldwide was a primary focus during this period. As a result, the P.I. was responsible for presenting 37 contributed talks, 19 invited talks, and publishing 71 articles in peer-reviewed journals, as
Atomically Traceable Nanostructure Fabrication.

PubMed

Ballard, Josh B; Dick, Don D; McDonnell, Stephen J; Bischof, Maia; Fu, Joseph; Owen, James H G; Owen, William R; Alexander, Justin D; Jaeger, David L; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J; Wallace, Robert M; Reidy, Richard; Silver, Richard M; Randall, John N; Von Ehr, James

2015-07-17

Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure.
Atomically Traceable Nanostructure Fabrication

PubMed Central

Ballard, Josh B.; Dick, Don D.; McDonnell, Stephen J.; Bischof, Maia; Fu, Joseph; Owen, James H. G.; Owen, William R.; Alexander, Justin D.; Jaeger, David L.; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J.; Wallace, Robert M.; Reidy, Richard; Silver, Richard M.; Randall, John N.; Von Ehr, James

2015-01-01

Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure. PMID:26274555
SUPIN: A Computational Tool for Supersonic Inlet Design

NASA Technical Reports Server (NTRS)

Slater, John W.

2016-01-01

A computational tool named SUPIN is being developed to design and analyze the aerodynamic performance of supersonic inlets. The inlet types available include the axisymmetric pitot, three-dimensional pitot, axisymmetric outward-turning, two-dimensional single-duct, two-dimensional bifurcated-duct, and streamline-traced inlets. The aerodynamic performance is characterized by the flow rates, total pressure recovery, and drag. The inlet flow-field is divided into parts to provide a framework for the geometry and aerodynamic modeling. Each part of the inlet is defined in terms of geometric factors. The low-fidelity aerodynamic analysis and design methods are based on analytic, empirical, and numerical methods which provide for quick design and analysis. SUPIN provides inlet geometry in the form of coordinates, surface angles, and cross-sectional areas. SUPIN can generate inlet surface grids and three-dimensional, structured volume grids for use with higher-fidelity computational fluid dynamics (CFD) analysis. Capabilities highlighted in this paper include the design and analysis of streamline-traced external-compression inlets, modeling of porous bleed, and the design and analysis of mixed-compression inlets. CFD analyses are used to verify the SUPIN results.
User Participation and Participatory Design: Topics in Computing Education.

ERIC Educational Resources Information Center

Kautz, Karlheinz

1996-01-01

Discusses user participation and participatory design in the context of formal education for computing professionals. Topics include the current curriculum debate; mathematical- and engineering-based education; traditional system-development training; and an example of a course program that includes computers and society, and prototyping. (53…
Web-Based Learning in the Computer-Aided Design Curriculum.

ERIC Educational Resources Information Center

Sung, Wen-Tsai; Ou, S. C.

2002-01-01

Applies principles of constructivism and virtual reality (VR) to computer-aided design (CAD) curriculum, particularly engineering, by integrating network, VR and CAD technologies into a Web-based learning environment that expands traditional two-dimensional computer graphics into a three-dimensional real-time simulation that enhances user…
Dispersion and separation of nanostructured carbon in organic solvents

NASA Technical Reports Server (NTRS)

Evans, Christopher M. (Inventor); Ruf, Herbert J. (Inventor); Landi, Brian J. (Inventor); Raffaelle, Ryne P. (Inventor)

2011-01-01

The present invention relates to dispersions of nanostructured carbon in organic solvents containing alkyl amide compounds and/or diamide compounds. The invention also relates to methods of dispersing nanostructured carbon in organic solvents and methods of mobilizing nanostructured carbon. Also disclosed are methods of determining the purity of nanostructured carbon.
Synthesis of porphyrin nanostructures

DOEpatents

Fan, Hongyou; Bai, Feng

2014-10-28

The present disclosure generally relates to self-assembly methods for generating porphyrin nanostructures. For example, in one embodiment a method is provided that includes preparing a porphyrin solution and a surfactant solution. The porphyrin solution is then mixed with the surfactant solution at a concentration sufficient for confinement of the porphyrin molecules by the surfactant molecules. In some embodiments, the concentration of the surfactant is at or above its critical micelle concentration (CMC), which allows the surfactant to template the growth of the nanostructure over time. The size and morphology of the nanostructures may be affected by the type of porphyrin molecules used, the type of surfactant used, the concentration of the porphyrin and surfactant the pH of the mixture of the solutions, and the order of adding the reagents to the mixture, to name a few variables.
Atomistic Modeling of Nanostructures via the BFS Quantum Approximate Method

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Garces, Jorge E.; Noebe, Ronald D.; Farias, D.

2003-01-01

Ideally, computational modeling techniques for nanoscopic physics would be able to perform free of limitations on the type and number of elements, while providing comparable accuracy when dealing with bulk or surface problems. Computational efficiency is also desirable, if not mandatory, for properly dealing with the complexity of typical nano-strucured systems. A quantum approximate technique, the BFS method for alloys, which attempts to meet these demands, is introduced for the calculation of the energetics of nanostructures. The versatility of the technique is demonstrated through analysis of diverse systems, including multi-phase precipitation in a five element Ni-Al-Ti-Cr-Cu alloy and the formation of mixed composition Co-Cu islands on a metallic Cu(III) substrate.
Multidisciplinary Design Optimization (MDO) Methods: Their Synergy with Computer Technology in Design Process

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, Jaroslaw

1998-01-01

The paper identifies speed, agility, human interface, generation of sensitivity information, task decomposition, and data transmission (including storage) as important attributes for a computer environment to have in order to support engineering design effectively. It is argued that when examined in terms of these attributes the presently available environment can be shown to be inadequate a radical improvement is needed, and it may be achieved by combining new methods that have recently emerged from multidisciplinary design optimization (MDO) with massively parallel processing computer technology. The caveat is that, for successful use of that technology in engineering computing, new paradigms for computing will have to be developed - specifically, innovative algorithms that are intrinsically parallel so that their performance scales up linearly with the number of processors. It may be speculated that the idea of simulating a complex behavior by interaction of a large number of very simple models may be an inspiration for the above algorithms, the cellular automata are an example. Because of the long lead time needed to develop and mature new paradigms, development should be now, even though the widespread availability of massively parallel processing is still a few years away.
New Methods for Design and Computation of Freeform Optics

DTIC Science & Technology

2015-07-09

338, Springer-Verlag Berlin Heidelberg, 2009. [18] R. Winston , J. C. Miñano, and P. Beńıtez, with contributions by N. Shatz and J. Bortz, Nonimaging Optics , Elsevier Academic Press, Amsterdam, 2005. 8 ...AFRL-OSR-VA-TR-2015-0160 New Methods for Design and Computation of Free-form Optics Vladimir Oliker EMORY UNIVERSITY Final Report 07/09/2015...Include area code) 01-07-2015 Final Technical Report May 01, 2012 - April 30, 2015 New Methods for Design and Computation of Freeform Optics FA9550-12--1
Anomalous ultrafast dynamics of hot plasmonic electrons in nanostructures with hot spots

DOE PAGES

Harutyunyan, Hayk; Martinson, Alex B. F.; Rosenmann, Daniel; ...

2015-08-03

The interaction of light and matter in metallic nanosystems is mediated by the collective oscillation of surface electrons, called plasmons. After excitation, plasmons are absorbed by the metal electrons through inter- and intraband transitions, creating a highly non-thermal distribution of electrons. The electron population then decays through electron-electron interactions, creating a hot electron distribution within a few hundred femtoseconds, followed by a further relaxation via electron-phonon scattering on the timescale of a few pico-seconds. In the spectral domain, hot plasmonic electrons induce changes to the plasmonic resonance of the nanostructure by modifying the dielectric constant of the metal. Here, wemore » report on the observation of anomalously strong changes to the ultrafast temporal and spectral responses of these excited hot plasmonic electrons in hybrid metal/oxide nanostructures as a result of varying the geometry and composition of the nanostructure and the excitation wavelength. In particular, we show a large ultrafast, pulsewidth-limited contribution to the excited electron decay signal in hybrid nanostructures containing hot spots. The intensity of this contribution correlates with the efficiency of the generation of highly excited surface electrons. Using theoretical models, we attribute this effect to the generation of hot plasmonic electrons from hot spots. Finally, we then develop general principles to enhance the generation of energetic electrons through specifically designed plasmonic nanostructures that could be used in applications where hot electron generation is beneficial, such as in solar photocatalysis, photodetectors and nonlinear devices.« less
Anomalous ultrafast dynamics of hot plasmonic electrons in nanostructures with hot spots.

PubMed

Harutyunyan, Hayk; Martinson, Alex B F; Rosenmann, Daniel; Khorashad, Larousse Khosravi; Besteiro, Lucas V; Govorov, Alexander O; Wiederrecht, Gary P

2015-09-01

The interaction of light and matter in metallic nanosystems is mediated by the collective oscillation of surface electrons, called plasmons. After excitation, plasmons are absorbed by the metal electrons through inter- and intraband transitions, creating a highly non-thermal distribution of electrons. The electron population then decays through electron-electron interactions, creating a hot electron distribution within a few hundred femtoseconds, followed by a further relaxation via electron-phonon scattering on the timescale of a few picoseconds. In the spectral domain, hot plasmonic electrons induce changes to the plasmonic resonance of the nanostructure by modifying the dielectric constant of the metal. Here, we report on the observation of anomalously strong changes to the ultrafast temporal and spectral responses of these excited hot plasmonic electrons in hybrid metal/oxide nanostructures as a result of varying the geometry and composition of the nanostructure and the excitation wavelength. In particular, we show a large ultrafast, pulsewidth-limited contribution to the excited electron decay signal in hybrid nanostructures containing hot spots. The intensity of this contribution correlates with the efficiency of the generation of highly excited surface electrons. Using theoretical models, we attribute this effect to the generation of hot plasmonic electrons from hot spots. We then develop general principles to enhance the generation of energetic electrons through specifically designed plasmonic nanostructures that could be used in applications where hot electron generation is beneficial, such as in solar photocatalysis, photodetectors and nonlinear devices.

Design and fabrication of a sleep apnea device using computer-aided design/additive manufacture technologies.

PubMed

Al Mortadi, Noor; Eggbeer, Dominic; Lewis, Jeffrey; Williams, Robert J

2013-04-01

The aim of this study was to analyze the latest innovations in additive manufacture techniques and uniquely apply them to dentistry, to build a sleep apnea device requiring rotating hinges. Laser scanning was used to capture the three-dimensional topography of an upper and lower dental cast. The data sets were imported into an appropriate computer-aided design software environment, which was used to design a sleep apnea device. This design was then exported as a stereolithography file and transferred for three-dimensional printing by an additive manufacture machine. The results not only revealed that the novel computer-based technique presented provides new design opportunities but also highlighted limitations that must be addressed before the techniques can become clinically viable.
[Clinical skills and outcomes of chair-side computer aided design and computer aided manufacture system].

PubMed

Yu, Q

2018-04-09

Computer aided design and computer aided manufacture (CAD/CAM) technology is a kind of oral digital system which is applied to clinical diagnosis and treatment. It overturns the traditional pattern, and provides a solution to restore defect tooth quickly and efficiently. In this paper we mainly discuss the clinical skills of chair-side CAD/CAM system, including tooth preparation, digital impression, the three-dimensional design of prosthesis, numerical control machining, clinical bonding and so on, and review the outcomes of several common kinds of materials at the same time.
Interlocked DNA nanostructures controlled by a reversible logic circuit.

PubMed

Li, Tao; Lohmann, Finn; Famulok, Michael

2014-09-17

DNA nanostructures constitute attractive devices for logic computing and nanomechanics. An emerging interest is to integrate these two fields and devise intelligent DNA nanorobots. Here we report a reversible logic circuit built on the programmable assembly of a double-stranded (ds) DNA [3]pseudocatenane that serves as a rigid scaffold to position two separate branched-out head-motifs, a bimolecular i-motif and a G-quadruplex. The G-quadruplex only forms when preceded by the assembly of the i-motif. The formation of the latter, in turn, requires acidic pH and unhindered mobility of the head-motif containing dsDNA nanorings with respect to the central ring to which they are interlocked, triggered by release oligodeoxynucleotides. We employ these features to convert the structural changes into Boolean operations with fluorescence labelling. The nanostructure behaves as a reversible logic circuit consisting of tandem YES and AND gates. Such reversible logic circuits integrated into functional nanodevices may guide future intelligent DNA nanorobots to manipulate cascade reactions in biological systems.
Interlocked DNA nanostructures controlled by a reversible logic circuit

PubMed Central

Li, Tao; Lohmann, Finn; Famulok, Michael

2014-01-01

DNA nanostructures constitute attractive devices for logic computing and nanomechanics. An emerging interest is to integrate these two fields and devise intelligent DNA nanorobots. Here we report a reversible logic circuit built on the programmable assembly of a double-stranded (ds) DNA [3]pseudocatenane that serves as a rigid scaffold to position two separate branched-out head-motifs, a bimolecular i-motif and a G-quadruplex. The G-quadruplex only forms when preceded by the assembly of the i-motif. The formation of the latter, in turn, requires acidic pH and unhindered mobility of the head-motif containing dsDNA nanorings with respect to the central ring to which they are interlocked, triggered by release oligodeoxynucleotides. We employ these features to convert the structural changes into Boolean operations with fluorescence labelling. The nanostructure behaves as a reversible logic circuit consisting of tandem YES and AND gates. Such reversible logic circuits integrated into functional nanodevices may guide future intelligent DNA nanorobots to manipulate cascade reactions in biological systems. PMID:25229207
A computer-aided design system geared toward conceptual design in a research environment. [for hypersonic vehicles

NASA Technical Reports Server (NTRS)

STACK S. H.

1981-01-01

A computer-aided design system has recently been developed specifically for the small research group environment. The system is implemented on a Prime 400 minicomputer linked with a CDC 6600 computer. The goal was to assign the minicomputer specific tasks, such as data input and graphics, thereby reserving the large mainframe computer for time-consuming analysis codes. The basic structure of the design system consists of GEMPAK, a computer code that generates detailed configuration geometry from a minimum of input; interface programs that reformat GEMPAK geometry for input to the analysis codes; and utility programs that simplify computer access and data interpretation. The working system has had a large positive impact on the quantity and quality of research performed by the originating group. This paper describes the system, the major factors that contributed to its particular form, and presents examples of its application.
"Using Power Tables to Compute Statistical Power in Multilevel Experimental Designs"

ERIC Educational Resources Information Center

Konstantopoulos, Spyros

2009-01-01

Power computations for one-level experimental designs that assume simple random samples are greatly facilitated by power tables such as those presented in Cohen's book about statistical power analysis. However, in education and the social sciences experimental designs have naturally nested structures and multilevel models are needed to compute the…
Nanostructured Solar Cells.

PubMed

Chen, Guanying; Ning, Zhijun; Ågren, Hans

2016-08-09

We are glad to announce the Special Issue "Nanostructured Solar Cells", published in Nanomaterials. This issue consists of eight articles, two communications, and one review paper, covering major important aspects of nanostructured solar cells of varying types. From fundamental physicochemical investigations to technological advances, and from single junction solar cells (silicon solar cell, dye sensitized solar cell, quantum dots sensitized solar cell, and small molecule organic solar cell) to tandem multi-junction solar cells, all aspects are included and discussed in this issue to advance the use of nanotechnology to improve the performance of solar cells with reduced fabrication costs.
Metal nanostructures: from clusters to nanocatalysis and sensors

NASA Astrophysics Data System (ADS)

Smirnov, B. M.

2017-12-01

The properties of metal clusters and nanostructures composed of them are reviewed. Various existing methods for the generation of intense beams of metal clusters and their subsequent conversion into nanostructures are compared. Processes of the flow of a buffer gas with active molecules through a nanostructure are analyzed as a basis of using nanostructures for catalytic applications. The propagation of an electric signal through a nanostructure is studied by analogy with a macroscopic metal. An analysis is given of how a nanostructure changes its resistance as active molecules attach to its surface and are converted into negative ions. These negative ions induce the formation of positively charged vacancies inside the metal conductor and attract the vacancies to together change the resistance of the metal nanostructure. The physical basis is considered for using metal clusters and nanostructures composed of them to create new materials in the form of a porous metal film on the surface of an object. The fundamentals of nanocatalysis are reviewed. Semiconductor conductometric sensors consisting of bound nanoscale grains or fibers acting as a conductor are compared with metal sensors conducting via a percolation cluster, a fractal fiber, or a bunch of interwoven nanofibers formed in superfluid helium. It is shown that sensors on the basis of metal nanostructures are characterized by a higher sensitivity than semiconductor ones, but are not selective. Measurements using metal sensors involve two stages, one of which measures to high precision the attachment rate of active molecules to the sensor conductor, and in the other one the surface of metal nanostructures is cleaned from the attached molecules using a gas discharge plasma (in particular, capillary discharge) with a subsequent chromatography analysis for products of cleaning.
CAD/CAM-designed 3D-printed electroanalytical cell for the evaluation of nanostructured gas-diffusion electrodes

NASA Astrophysics Data System (ADS)

Chervin, Christopher N.; Parker, Joseph F.; Nelson, Eric S.; Rolison, Debra R.; Long, Jeffrey W.

2016-04-01

The ability to effectively screen and validate gas-diffusion electrodes is critical to the development of next-generation metal-air batteries and regenerative fuel cells. The limiting electrode in a classic two-terminal device such as a battery or fuel cell is difficult to discern without an internal reference electrode, but the flooded electrolyte characteristic of three-electrode electroanalytical cells negates the prime function of an air electrode—a void volume freely accessible to gases. The nanostructured catalysts that drive the energy-conversion reactions (e.g., oxygen reduction and evolution in the air electrode of metal-air batteries) are best evaluated in the electrode structure as-used in the practical device. We have designed, 3D-printed, and characterized an air-breathing, thermodynamically referenced electroanalytical cell that allows us to mimic the Janus arrangement of the gas-diffusion electrode in a metal-air cell: one face freely exposed to gases, the other wetted by electrolyte.
CAD/CAM-designed 3D-printed electroanalytical cell for the evaluation of nanostructured gas-diffusion electrodes.

PubMed

Chervin, Christopher N; Parker, Joseph F; Nelson, Eric S; Rolison, Debra R; Long, Jeffrey W

2016-04-29

The ability to effectively screen and validate gas-diffusion electrodes is critical to the development of next-generation metal-air batteries and regenerative fuel cells. The limiting electrode in a classic two-terminal device such as a battery or fuel cell is difficult to discern without an internal reference electrode, but the flooded electrolyte characteristic of three-electrode electroanalytical cells negates the prime function of an air electrode-a void volume freely accessible to gases. The nanostructured catalysts that drive the energy-conversion reactions (e.g., oxygen reduction and evolution in the air electrode of metal-air batteries) are best evaluated in the electrode structure as-used in the practical device. We have designed, 3D-printed, and characterized an air-breathing, thermodynamically referenced electroanalytical cell that allows us to mimic the Janus arrangement of the gas-diffusion electrode in a metal-air cell: one face freely exposed to gases, the other wetted by electrolyte.
Evolution-Inspired Computational Design of Symmetric Proteins.

PubMed

Voet, Arnout R D; Simoncini, David; Tame, Jeremy R H; Zhang, Kam Y J

2017-01-01

Monomeric proteins with a number of identical repeats creating symmetrical structures are potentially very valuable building blocks with a variety of bionanotechnological applications. As such proteins do not occur naturally, the emerging field of computational protein design serves as an excellent tool to create them from nonsymmetrical templates. Existing pseudo-symmetrical proteins are believed to have evolved from oligomeric precursors by duplication and fusion of identical repeats. Here we describe a computational workflow to reverse-engineer this evolutionary process in order to create stable proteins consisting of identical sequence repeats.
Computational Design of Tunable UV-Vis-IR Filters Based on Silver Nanoparticle Arrays

NASA Astrophysics Data System (ADS)

Waters, Michael; Shi, Guangsha; Kioupakis, Emmanouil

We propose design strategies to develop selective optical filters in the UV-Vis-IR spectrum using the surface plasmon response of silver nanoparticle arrays. Our finite-difference time-domain simulations allow us to rapidly evaluate many nanostructures comprising simple geometries while varying their shape, height, width, and spacing. Our results allow us to identify trends in the filtering spectra as well as the relative amount of absorption and reflection. Optical filtering with nanoparticles is applicable to any transparent substrate and can be easily adapted to existing manufacturing processes while keeping the total cost of materials low. This work was supported by Guardian Industries Corp.
Multistate approaches in computational protein design

PubMed Central

Davey, James A; Chica, Roberto A

2012-01-01

Computational protein design (CPD) is a useful tool for protein engineers. It has been successfully applied towards the creation of proteins with increased thermostability, improved binding affinity, novel enzymatic activity, and altered ligand specificity. Traditionally, CPD calculations search and rank sequences using a single fixed protein backbone template in an approach referred to as single-state design (SSD). While SSD has enjoyed considerable success, certain design objectives require the explicit consideration of multiple conformational and/or chemical states. Cases where a “multistate” approach may be advantageous over the SSD approach include designing conformational changes into proteins, using native ensembles to mimic backbone flexibility, and designing ligand or oligomeric association specificities. These design objectives can be efficiently tackled using multistate design (MSD), an emerging methodology in CPD that considers any number of protein conformational or chemical states as inputs instead of a single protein backbone template, as in SSD. In this review article, recent examples of the successful design of a desired property into proteins using MSD are described. These studies employing MSD are divided into two categories—those that utilized multiple conformational states, and those that utilized multiple chemical states. In addition, the scoring of competing states during negative design is discussed as a current challenge for MSD. PMID:22811394
Enhancing Human-Computer Interaction Design Education: Teaching Affordance Design for Emerging Mobile Devices

ERIC Educational Resources Information Center

Faiola, Anthony; Matei, Sorin Adam

2010-01-01

The evolution of human-computer interaction design (HCID) over the last 20 years suggests that there is a growing need for educational scholars to consider new and more applicable theoretical models of interactive product design. The authors suggest that such paradigms would call for an approach that would equip HCID students with a better…
Kinetically Controlled Synthesis of Pt-Based One-Dimensional Hierarchically Porous Nanostructures with Large Mesopores as Highly Efficient ORR Catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Shaofang; Zhu, Chengzhou; Song, Junhua

2016-12-28

Rational design and construction of Pt-based porous nanostructures with large mesopores have triggered significant considerations because of their high surface area and more efficient mass transport. Hydrochloric acid-induced kinetic reduction of metal precursors in the presence of soft template F-127 and hard template tellurium nanowires has been successfully demonstrated to construct one-dimensional hierarchical porous PtCu alloy nanostructures with large mesopores. Moreover, the electrochemical experiments demonstrated that the resultant PtCu hierarchically porous nanostructures with optimized composition exhibit enhanced electrocatalytic performance for oxygen reduction reaction.
Kinetically Controlled Synthesis of Pt-Based One-Dimensional Hierarchically Porous Nanostructures with Large Mesopores as Highly Efficient ORR Catalysts.

PubMed

Fu, Shaofang; Zhu, Chengzhou; Song, Junhua; Engelhard, Mark H; Xia, Haibing; Du, Dan; Lin, Yuehe

2016-12-28

Rational design and construction of Pt-based porous nanostructures with large mesopores have triggered significant considerations because of their high surface area and more efficient mass transport. Hydrochloric acid-induced kinetically controlled reduction of metal precursors in the presence of soft template F-127 and hard template tellurium nanowires has been successfully demonstrated to construct one-dimensional hierarchical porous PtCu alloy nanostructures with large mesopores. Moreover, the electrochemical experiments demonstrated that the PtCu hierarchically porous nanostructures synthesized under optimized conditions exhibit enhanced electrocatalytic performance for oxygen reduction reaction in acid media.
Design Process of a Goal-Based Scenario on Computing Fundamentals

ERIC Educational Resources Information Center

Beriswill, Joanne Elizabeth

2014-01-01

In this design case, an instructor developed a goal-based scenario (GBS) for undergraduate computer fundamentals students to apply their knowledge of computer equipment and software. The GBS, entitled the MegaTech Project, presented the students with descriptions of the everyday activities of four persons needing to purchase a computer system. The…
Photosynthetic solar cell using nanostructured proton exchange membrane for microbial biofilm prevention.

PubMed

Lee, Dong Hyun; Oh, Hwa Jin; Bai, Seoung Jae; Song, Young Seok

2014-06-24

Unwanted biofilm formation has a detrimental effect on bioelectrical energy harvesting in microbial cells. This issue still needs to be solved for higher power and longer durability and could be resolved with the help of nanoengineering in designing and manufacturing. Here, we demonstrate a photosynthetic solar cell (PSC) that contains a nanostructure to prevent the formation of biofilm by micro-organisms. Nanostructures were fabricated using nanoimprint lithography, where a film heater array system was introduced to precisely control the local wall temperature. To understand the heat and mass transfer phenomena behind the manufacturing and energy harvesting processes of PSC, we carried out a numerical simulation and experimental measurements. It revealed that the nanostructures developed on the proton exchange membrane enable PSC to produce enhanced output power due to the retarded microbial attachment on the Nafion membrane. We anticipate that this strategy can provide a pathway where PSC can ensure more renewable, sustainable, and efficient energy harvesting performance.
Nanostructure-based proton exchange membrane for fuel cell applications at high temperature.

PubMed

Li, Junsheng; Wang, Zhengbang; Li, Junrui; Pan, Mu; Tang, Haolin

2014-02-01

As a clean and highly efficient energy source, the proton exchange membrane fuel cell (PEMFC) has been considered an ideal alternative to traditional fossil energy sources. Great efforts have been devoted to realizing the commercialization of the PEMFC in the past decade. To eliminate some technical problems that are associated with the low-temperature operation (such as catalyst poisoning and poor water management), PEMFCs are usually operated at elevated temperatures (e.g., > 100 degrees C). However, traditional proton exchange membrane (PEM) shows poor performance at elevated temperature. To achieve a high-performance PEM for high temperature fuel cell applications, novel PEMs, which are based on nanostructures, have been developed recently. In this review, we discuss and summarize the methods for fabricating the nanostructure-based PEMs for PEMFC operated at elevated temperatures and the high temperature performance of these PEMs. We also give an outlook on the rational design and development of the nanostructure-based PEMs.
Structure evolution of self-catalyzed grown Au, Ag and their alloy nanostructure

NASA Astrophysics Data System (ADS)

Zhu, Zhu; Chen, Feng; Xu, Chunxiang; Yang, Guangcan; Zhu, Ye; Luo, Zhaoxu

2017-12-01

Monitoring the nucleation and growth of nanomaterials is a key technique for material synthesis design and control. An efficient fabrication method can be realized deeply understanding the growth mechanisms. Here, noble metal nanostructures, gold (Au) nanoparticles, silver nanostructures (Ag nanoparticles/Ag nanowires) and gold-silver alloy nanoparticles were prepared in a facile method at room temperature. The growth processes of the Au nanoparticles, Ag nanowires and Au-Ag alloy nanoparticles can be monitored real-timely through the ultraviolet visible absorption (UV-vis), dynamic light scattering (DLS) and transmission electron microscopy (TEM). It is found that the whole formation involved Digestive ripening and Ostwald ripening cooperative mechanism. Furthermore, the self-assembly growth is noticed in the oriented attachment of precursor Ag monomers into nanowires under the same synthetic conditions without external templates or rigorous conditions. This result can provide a platform to discover the underlying growth mechanism of wet-chemistry methods for metal nanostructure fabrication.

Reactor and method for production of nanostructures

DOEpatents

Sunkara, Mahendra Kumar; Kim, Jeong H.; Kumar, Vivekanand

2017-04-25

A reactor and method for production of nanostructures, including metal oxide nanowires or nanoparticles, are provided. The reactor includes a regulated metal powder delivery system in communication with a dielectric tube; a plasma-forming gas inlet, whereby a plasma-forming gas is delivered substantially longitudinally into the dielectric tube; a sheath gas inlet, whereby a sheath gas is delivered into the dielectric tube; and a microwave energy generator coupled to the dielectric tube, whereby microwave energy is delivered into a plasma-forming gas. The method for producing nanostructures includes providing a reactor to form nanostructures and collecting the formed nanostructures, optionally from a filter located downstream of the dielectric tube.
Using an Adjoint Approach to Eliminate Mesh Sensitivities in Computational Design

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.; Park, Michael A.

2006-01-01

An algorithm for efficiently incorporating the effects of mesh sensitivities in a computational design framework is introduced. The method is based on an adjoint approach and eliminates the need for explicit linearizations of the mesh movement scheme with respect to the geometric parameterization variables, an expense that has hindered practical large-scale design optimization using discrete adjoint methods. The effects of the mesh sensitivities can be accounted for through the solution of an adjoint problem equivalent in cost to a single mesh movement computation, followed by an explicit matrix-vector product scaling with the number of design variables and the resolution of the parameterized surface grid. The accuracy of the implementation is established and dramatic computational savings obtained using the new approach are demonstrated using several test cases. Sample design optimizations are also shown.
Using an Adjoint Approach to Eliminate Mesh Sensitivities in Computational Design

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.; Park, Michael A.

2005-01-01

An algorithm for efficiently incorporating the effects of mesh sensitivities in a computational design framework is introduced. The method is based on an adjoint approach and eliminates the need for explicit linearizations of the mesh movement scheme with respect to the geometric parameterization variables, an expense that has hindered practical large-scale design optimization using discrete adjoint methods. The effects of the mesh sensitivities can be accounted for through the solution of an adjoint problem equivalent in cost to a single mesh movement computation, followed by an explicit matrix-vector product scaling with the number of design variables and the resolution of the parameterized surface grid. The accuracy of the implementation is established and dramatic computational savings obtained using the new approach are demonstrated using several test cases. Sample design optimizations are also shown.
Computational approaches in the design of synthetic receptors - A review.

PubMed

Cowen, Todd; Karim, Kal; Piletsky, Sergey

2016-09-14

The rational design of molecularly imprinted polymers (MIPs) has been a major contributor to their reputation as "plastic antibodies" - high affinity robust synthetic receptors which can be optimally designed, and produced for a much reduced cost than their biological equivalents. Computational design has become a routine procedure in the production of MIPs, and has led to major advances in functional monomer screening, selection of cross-linker and solvent, optimisation of monomer(s)-template ratio and selectivity analysis. In this review the various computational methods will be discussed with reference to all the published relevant literature since the end of 2013, with each article described by the target molecule, the computational approach applied (whether molecular mechanics/molecular dynamics, semi-empirical quantum mechanics, ab initio quantum mechanics (Hartree-Fock, Møller-Plesset, etc.) or DFT) and the purpose for which they were used. Detailed analysis is given to novel techniques including analysis of polymer binding sites, the use of novel screening programs and simulations of MIP polymerisation reaction. The further advances in molecular modelling and computational design of synthetic receptors in particular will have serious impact on the future of nanotechnology and biotechnology, permitting the further translation of MIPs into the realms of analytics and medical technology. Copyright © 2016 Elsevier B.V. All rights reserved.
Assembly of barcode-like nucleic acid nanostructures.

PubMed

Wang, Pengfei; Tian, Cheng; Li, Xiang; Mao, Chengde

2014-10-15

Barcode-like (BC) nanopatterns from programmed self-assembly of nucleic acids (DNA and RNA) are reported. BC nanostructures are generated by the introduction of open spaces at selected sites to an otherwise closely packed, plain, rectangle nucleic acid nanostructure. This strategy is applied to nanostructures assembled from both origami approach and single stranded tile approach. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Interfacing nanostructures to biological cells

DOEpatents

Chen, Xing; Bertozzi, Carolyn R.; Zettl, Alexander K.

2012-09-04

Disclosed herein are methods and materials by which nanostructures such as carbon nanotubes, nanorods, etc. are bound to lectins and/or polysaccharides and prepared for administration to cells. Also disclosed are complexes comprising glycosylated nanostructures, which bind selectively to cells expressing glycosylated surface molecules recognized by the lectin. Exemplified is a complex comprising a carbon nanotube functionalized with a lipid-like alkane, linked to a polymer bearing repeated .alpha.-N-acetylgalactosamine sugar groups. This complex is shown to selectively adhere to the surface of living cells, without toxicity. In the exemplified embodiment, adherence is mediated by a multivalent lectin, which binds both to the cells and the .alpha.-N-acetylgalactosamine groups on the nanostructure.
Antibacterial Au nanostructured surfaces

NASA Astrophysics Data System (ADS)

Wu, Songmei; Zuber, Flavia; Brugger, Juergen; Maniura-Weber, Katharina; Ren, Qun

2016-01-01

We present here a technological platform for engineering Au nanotopographies by templated electrodeposition on antibacterial surfaces. Three different types of nanostructures were fabricated: nanopillars, nanorings and nanonuggets. The nanopillars are the basic structures and are 50 nm in diameter and 100 nm in height. Particular arrangement of the nanopillars in various geometries formed nanorings and nanonuggets. Flat surfaces, rough substrate surfaces, and various nanostructured surfaces were compared for their abilities to attach and kill bacterial cells. Methicillin-resistant Staphylococcus aureus, a Gram-positive bacterial strain responsible for many infections in health care system, was used as the model bacterial strain. It was found that all the Au nanostructures, regardless their shapes, exhibited similar excellent antibacterial properties. A comparison of live cells attached to nanotopographic surfaces showed that the number of live S. aureus cells was <1% of that from flat and rough reference surfaces. Our micro/nanofabrication process is a scalable approach based on cost-efficient self-organization and provides potential for further developing functional surfaces to study the behavior of microbes on nanoscale topographies.We present here a technological platform for engineering Au nanotopographies by templated electrodeposition on antibacterial surfaces. Three different types of nanostructures were fabricated: nanopillars, nanorings and nanonuggets. The nanopillars are the basic structures and are 50 nm in diameter and 100 nm in height. Particular arrangement of the nanopillars in various geometries formed nanorings and nanonuggets. Flat surfaces, rough substrate surfaces, and various nanostructured surfaces were compared for their abilities to attach and kill bacterial cells. Methicillin-resistant Staphylococcus aureus, a Gram-positive bacterial strain responsible for many infections in health care system, was used as the model bacterial strain. It
Design Strategy for a Formally Verified Reliable Computing Platform

NASA Technical Reports Server (NTRS)

Butler, Ricky W.; Caldwell, James L.; DiVito, Ben L.

1991-01-01

This paper presents a high-level design for a reliable computing platform for real-time control applications. The design tradeoffs and analyses related to the development of a formally verified reliable computing platform are discussed. The design strategy advocated in this paper requires the use of techniques that can be completely characterized mathematically as opposed to more powerful or more flexible algorithms whose performance properties can only be analyzed by simulation and testing. The need for accurate reliability models that can be related to the behavior models is also stressed. Tradeoffs between reliability and voting complexity are explored. In particular, the transient recovery properties of the system are found to be fundamental to both the reliability analysis as well as the "correctness" models.
Designing effective animations for computer science instruction

NASA Astrophysics Data System (ADS)

Grillmeyer, Oliver

This study investigated the potential for animations of Scheme functions to help novice computer science students understand difficult programming concepts. These animations used an instructional framework inspired by theories of constructivism and knowledge integration. The framework had students make predictions, reflect, and specify examples to animate to promote autonomous learning and result in more integrated knowledge. The framework used animated pivotal cases to help integrate disconnected ideas and restructure students' incomplete ideas by illustrating weaknesses in their existing models. The animations scaffolded learners, making the thought processes of experts more visible by modeling complex and tacit information. The animation design was guided by prior research and a methodology of design and refinement. Analysis of pilot studies led to the development of four design concerns to aid animation designers: clearly illustrate the mapping between objects in animations with the actual objects they represent, show causal connections between elements, draw attention to the salient features of the modeled system, and create animations that reduce complexity. Refined animations based on these design concerns were compared to computer-based tools, text-based instruction, and simpler animations that do not embody the design concerns. Four studies comprised this dissertation work. Two sets of animated presentations of list creation functions were compared to control groups. No significant differences were found in support of animations. Three different animated models of traces of recursive functions ranging from concrete to abstract representations were compared. No differences in learning gains were found between the three models in test performance. Three models of animations of applicative operators were compared with students using the replacement modeler and the Scheme interpreter. Significant differences were found favoring animations that addressed
Computer Graphics-aided systems analysis: application to well completion design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Detamore, J.E.; Sarma, M.P.

1985-03-01

The development of an engineering tool (in the form of a computer model) for solving design and analysis problems related with oil and gas well production operations is discussed. The development of the method is based on integrating the concepts of ''Systems Analysis'' with the techniques of ''Computer Graphics''. The concepts behind the method are very general in nature. This paper, however, illustrates the application of the method in solving gas well completion design problems. The use of the method will save time and improve the efficiency of such design and analysis problems. The method can be extended to othermore » design and analysis aspects of oil and gas wells.« less
Fabrication and structure characterization of te butterfly nanostructures.

PubMed

Wong, Tailun; She, Guangwei; Cheng, Chun; Li, Wei; Shi, Wensheng; Zhang, Xiaohong; Wang, Ning

2011-12-01

Te nanowires and butterfly nanostructures have been fabricated by template-free electrodeposition (TFED) in aqueous solution. By high-resolution transmission electron microscopy (HRTEM) study, the favored growth directions of the nanowires and the wings of the butterfly nanostructures were determined to be along the [0001] direction of trigonal Te, and the twinning plane of the butterfly nanostructures was (11-22). The cathodoluminescence measurements carried out at different positions of the butterfly nanostructure indicated that the twin boundaries influenced the photoemission efficiency.
Interactive computer aided technology, evolution in the design/manufacturing process

NASA Technical Reports Server (NTRS)

English, C. H.

1975-01-01

A powerful computer-operated three dimensional graphic system and associated auxiliary computer equipment used in advanced design, production design, and manufacturing was described. This system has made these activities more productive than when using older and more conventional methods to design and build aerospace vehicles. With the use of this graphic system, designers are now able to define parts using a wide variety of geometric entities, define parts as fully surface 3-dimensional models as well as "wire-frame" models. Once geometrically defined, the designer is able to take section cuts of the surfaced model and automatically determine all of the section properties of the planar cut, lightpen detect all of the surface patches and automatically determine the volume and weight of the part. Further, his designs are defined mathematically at a degree of accuracy never before achievable.
Optical Biosensors Based on Semiconductor Nanostructures

PubMed Central

Martín-Palma, Raúl J.; Manso, Miguel; Torres-Costa, Vicente

2009-01-01

The increasing availability of semiconductor-based nanostructures with novel and unique properties has sparked widespread interest in their use in the field of biosensing. The precise control over the size, shape and composition of these nanostructures leads to the accurate control of their physico-chemical properties and overall behavior. Furthermore, modifications can be made to the nanostructures to better suit their integration with biological systems, leading to such interesting properties as enhanced aqueous solubility, biocompatibility or bio-recognition. In the present work, the most significant applications of semiconductor nanostructures in the field of optical biosensing will be reviewed. In particular, the use of quantum dots as fluorescent bioprobes, which is the most widely used application, will be discussed. In addition, the use of some other nanometric structures in the field of biosensing, including porous semiconductors and photonic crystals, will be presented. PMID:22346691
SNL Mechanical Computer Aided Design (MCAD) guide 2007.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Brandon; Pollice, Stephanie L.; Martinez, Jack R.

2007-12-01

This document is considered a mechanical design best-practice guide to new and experienced designers alike. The contents consist of topics related to using Computer Aided Design (CAD) software, performing basic analyses, and using configuration management. The details specific to a particular topic have been leveraged against existing Product Realization Standard (PRS) and Technical Business Practice (TBP) requirements while maintaining alignment with sound engineering and design practices. This document is to be considered dynamic in that subsequent updates will be reflected in the main title, and each update will be published on an annual basis.
A Project-Based Learning Approach to Programmable Logic Design and Computer Architecture

ERIC Educational Resources Information Center

Kellett, C. M.

2012-01-01

This paper describes a course in programmable logic design and computer architecture as it is taught at the University of Newcastle, Australia. The course is designed around a major design project and has two supplemental assessment tasks that are also described. The context of the Computer Engineering degree program within which the course is…
Ceramic nanostructures and methods of fabrication

DOEpatents

Ripley, Edward B [Knoxville, TN; Seals, Roland D [Oak Ridge, TN; Morrell, Jonathan S [Knoxville, TN

2009-11-24

Structures and methods for the fabrication of ceramic nanostructures. Structures include metal particles, preferably comprising copper, disposed on a ceramic substrate. The structures are heated, preferably in the presence of microwaves, to a temperature that softens the metal particles and preferably forms a pool of molten ceramic under the softened metal particle. A nano-generator is created wherein ceramic material diffuses through the molten particle and forms ceramic nanostructures on a polar site of the metal particle. The nanostructures may comprise silica, alumina, titania, or compounds or mixtures thereof.
Stacked mechanical nanogenerator comprising piezoelectric semiconducting nanostructures and Schottky conductive contacts

DOEpatents

Wang, Zhong L [Marietta, GA; Xu, Sheng [Atlanta, GA

2011-08-23

An electric power generator includes a first conductive layer, a plurality of semiconducting piezoelectric nanostructures, a second conductive layer and a plurality of conductive nanostructures. The first conductive layer has a first surface from which the semiconducting piezoelectric nanostructures extend. The second conductive layer has a second surface and is parallel to the first conductive layer so that the second surface faces the first surface of the first conductive layer. The conductive nanostructures depend downwardly therefrom. The second conductive layer is spaced apart from the first conductive layer at a distance so that when a force is applied, the semiconducting piezoelectric nanostructures engage the conductive nanostructures so that the piezoelectric nanostructures bend, thereby generating a potential difference across the at semiconducting piezoelectric nanostructures and also thereby forming a Schottky barrier between the semiconducting piezoelectric nanostructures and the conductive nanostructures.
Computer-aided design/computer-aided manufacturing skull base drill.

PubMed

Couldwell, William T; MacDonald, Joel D; Thomas, Charles L; Hansen, Bradley C; Lapalikar, Aniruddha; Thakkar, Bharat; Balaji, Alagar K

2017-05-01

The authors have developed a simple device for computer-aided design/computer-aided manufacturing (CAD-CAM) that uses an image-guided system to define a cutting tool path that is shared with a surgical machining system for drilling bone. Information from 2D images (obtained via CT and MRI) is transmitted to a processor that produces a 3D image. The processor generates code defining an optimized cutting tool path, which is sent to a surgical machining system that can drill the desired portion of bone. This tool has applications for bone removal in both cranial and spine neurosurgical approaches. Such applications have the potential to reduce surgical time and associated complications such as infection or blood loss. The device enables rapid removal of bone within 1 mm of vital structures. The validity of such a machining tool is exemplified in the rapid (< 3 minutes machining time) and accurate removal of bone for transtemporal (for example, translabyrinthine) approaches.
Nanostructured nonprecious metal catalysts for oxygen reduction reaction.

PubMed

Wu, Gang; Zelenay, Piotr

2013-08-20

Platinum-based catalysts represent a state of the art in the electrocatalysis of oxygen reduction reaction (ORR) from the point of view of their activity and durability in harnessing the chemical energy via direct electrochemical conversion. However, because platinum is both expensive and scarce, its widespread implementation in such clean energy applications is limited. Recent breakthroughs in the synthesis of high-performance nonprecious metal catalysts (NPMCs) make replacement of Pt in ORR electrocatalysts with earth-abundant elements, such as Fe, Co, N, and C, a realistic possibility. In this Account, we discuss how we can obtain highly promising M-N-C (M: Fe and/or Co) catalysts by simultaneously heat-treating precursors of nitrogen, carbon, and transition metals at 800-1000 °C. The activity and durability of resulting catalysts depend greatly on the selection of precursors and synthesis chemistry. In addition, they correlate quite well with the catalyst nanostructure. While chemists have presented no conclusive description of the active catalytic site for this class of NPMCs, they have developed a designed approach to making active and durable materials, focusing on the catalyst nanostructure. The approach consists of nitrogen doping, in situ carbon graphitization, and the usage of graphitic structures (possibly graphene and graphene oxides) as carbon precursors. Various forms of nitrogen, particularly pyridinic and quaternary, can act as n-type carbon dopants in the M-N-C catalysts, assisting in the formation of disordered carbon nanostructures and donating electrons to the carbon. The CNx structures are likely a crucial part of the ORR active site(s). Noteworthy, the ORR activity is not necessarily governed by the amount of nitrogen, but by how the nitrogen is incorporated into the nanostructures. Apart from the possibility of a direct participation in the active site, the transition metal often plays an important role in the in situ formation of various
Computer-aided design of large-scale integrated circuits - A concept

NASA Technical Reports Server (NTRS)

Schansman, T. T.

1971-01-01

Circuit design and mask development sequence are improved by using general purpose computer with interactive graphics capability establishing efficient two way communications link between design engineer and system. Interactive graphics capability places design engineer in direct control of circuit development.

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