Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sizing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Fabrication of Pt nanowires with a diffraction-unlimited feature size by high-threshold lithography

Although the nanoscale world can already be observed at a diffraction-unlimited resolution using far-field optical microscopy, to make the step from microscopy to lithography still requires a suitable photoresist material system. In this letter, we consider the threshold to be a region with a width characterized by the extreme feature size obtained using a Gaussian beam spot. By narrowing such a region through improvement of the threshold sensitization to intensity in a high-threshold material system, the minimal feature size becomes smaller. By using platinum as the negative photoresist, we demonstrate that high-threshold lithography can be used to fabricate nanowire arrays with a scalable resolution along the axial direction of the linewidth from the micro- to the nanoscale using a nanosecond-pulsed laser source with a wavelength λ{sub 0} = 1064 nm. The minimal feature size is only several nanometers (sub λ{sub 0}/100). Compared with conventional polymer resist lithography, the advantages of high-threshold lithography are sharper pinpoints of laser intensity triggering the threshold response and also higher robustness allowing for large area exposure by a less-expensive nanosecond-pulsed laser.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nanoconfined catalytic Ångström-size motors

Self-propelled chemically powered synthetic micron and nano-scale motors are being intensively studied because of the wide range of potential applications that exploit their directed motion. This paper considers even smaller Ångström-size synthetic motors. Such very small motors in bulk solution display effects arising from their self-propulsion. Recent experiments have shown that small-molecule catalysts and single enzyme molecules exhibit properties that have been attributed to their chemical activity. Molecular dynamics is used to investigate the properties of very small Ångström-size synthetic chemically powered sphere-dimer motors in a simple atomic-like solvent confined between walls separated by distances of tens of nanometers. Evidence for strong structural ordering of the motors between the walls, which reflects the finite size of solvent molecules and depends on solvent depletion forces, is provided. Dynamical properties, such as average motor velocity, orientational relaxation, and mean square displacement, are anisotropic and depend on the distance from the walls. This research provides information needed for potential applications that use molecular-scale motors in the complex confined geometries encountered in biology and the laboratory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Relation between pore size and the compressibility of a confined fluid

When a fluid is confined to a nanopore, its thermodynamic properties differ from the properties of a bulk fluid, so measuring such properties of the confined fluid can provide information about the pore sizes. Here, we report a simple relation between the pore size and isothermal compressibility of argon confined in such pores. Compressibility is calculated from the fluctuations of the number of particles in the grand canonical ensemble using two different simulation techniques: conventional grand-canonical Monte Carlo and grand-canonical ensemble transition-matrix Monte Carlo. Our results provide a theoretical framework for extracting the information on the pore sizes of fluid-saturated samples by measuring the compressibility from ultrasonic experiments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Investigating size effects of complex nanostructures through Young-Laplace equation and finite element analysis

Analytical studies on the size effects of a simply-shaped beam fixed at both ends have successfully explained the sudden changes of effective Young's modulus as its diameter decreases below 100 nm. Yet they are invalid for complex nanostructures ubiquitously existing in nature. In accordance with a generalized Young-Laplace equation, one of the representative size effects is transferred to non-uniformly distributed pressure against an external surface due to the imbalance of inward and outward loads. Because the magnitude of pressure depends on the principal curvatures, iterative steps have to be adopted to gradually stabilize the structure in finite element analysis. Computational results are in good agreement with both experiment data and theoretical prediction. Furthermore, the investigation on strengthened and softened Young's modulus for two complex nanostructures demonstrates that the proposed computational method provides a general and effective approach to analyze the size effects for nanostructures in arbitrary shape.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Self-assembled Ag nanoparticle network passivated by a nano-sized ZnO layer for transparent and flexible film heaters

We investigated a self-assembled Ag nanoparticle network electrode passivated by a nano-sized ZnO layer for use in high-performance transparent and flexible film heaters (TFFHs). The low temperature atomic layer deposition of a nano-sized ZnO layer effectively filled the uncovered area of Ag network and improved the current spreading in the self-assembled Ag network without a change in the sheet resistance and optical transmittance as well as mechanical flexibility. The time-temperature profiles and heat distribution analysis demonstrate that the performance of the TFTH with the ZnO/Ag network is superior to that of a TFFH with Ag nanowire electrodes. In addition, the TFTHs with ZnO/Ag network exhibited better stability than the TFFH with a bare Ag network due to the effective current spreading through the nano-sized ZnO layer.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Investigation of optimal route to fabricate submicron-sized Sm{sub 2}Fe{sub 17} particles with reduction-diffusion method

Submicron-sized Sm{sub 2}Fe{sub 17} powder samples were fabricated by a non-pulverizing process through reduction-diffusion of precursors prepared by a wet-chemical technique. Three precursors having different morphologies, which were micron-sized porous Sm-Fe oxide-impregnated iron nitrate, acicular goethite impregnated-samarium nitrate, and a conventional Sm-Fe coprecipitate, were prepared and subjected to hydrogen reduction and reduction-diffusion treatment to clarify whether these precursors could be convert to Sm{sub 2}Fe{sub 17} without impurity phases and which precursor is the most attractive for producing submicron-sized Sm{sub 2}Fe{sub 17} powder. As a result, all three precursors were successfully converted to Sm{sub 2}Fe{sub 17} powders without impurity phases, and the synthesis route using iron-oxide particle-impregnated samarium oxide was revealed to have the greatest potential among the three routes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Nano-sized ZnO powders prepared by co-precipitation method with various pH

In this work, nano-sized ZnO powders have been synthesized by the co-precipitation method with Zn(CH3COOH)2.2H2O, HCl, and NH3.H2O as raw materials in various pH ranging from 8 to 10. The purity, microstructure, chemical group analysis, morphology of the prepared ZnO powders were studied by X-ray diffraction (XRD), Fourier transform infrared spectrometer (FTIR), energy dispersive X-ray spectrometry (EDX), and scanning electron microscope (SEM), respectively. Rietveld refinement of XRD data showed that ZnO crystallizes in the wurtzite structure with high purity. The obtained powders were nano-sized particles with the average crystallite size about 17.9 ± 2.1 nm synthesized with pH of 9.5, at 85°C, and stirring time of 6 h. The SEM results have visualied the morphology of ZnO nanoparticles with spherical-like shape. The effect of processing conditions on morphology of ZnO was also discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Interaction of lysozyme protein with different sized silica nanoparticles and their resultant structures

The interaction of model protein-lysozyme with three different sized anionic silica nanoparticles has been studied by UV-vis spectroscopy, dynamic light scattering (DLS) and small-angle neutron scattering (SANS). The surface area and curvature of the nanoparticles change with size, which significantly influence their interaction with protein. The lysozyme adsorbs on the surface of the nanoparticles due to electrostatic attraction and leads to the phase transformation from one phase (clear) to two-phase (turbid) of the nanoparticle-protein system. The dominance of lysozyme induced short-range attraction over long-range electrostatic repulsion between nanoparticles is responsible for phase transformation and modeled by the two-Yukawa potential. The magnitude of the attractive interaction increases with the size of the nanoparticles as a result the phase transformation commences relatively at lower concentration of lysozyme. The structure of the nanoparticle-protein system in two-phase is characterized by the diffusion limited aggregate type of mass fractal morphology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Size dependent polaronic conduction in hematite

Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe{sub 2}O{sub 3} has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe{sub 2}O{sub 3} with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe{sub 2}O{sub 3} may be a better alternative anode material for lithium ion batteries than earlier reported systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection

This study focuses on the proper characterization of temperature profiles across grain boundaries (GBs) in order to calculate the correct interfacial thermal resistance (ITR) and reveal the influence of GB geometries onto thermal transport. The solid-solid interfaces resulting from the orientation difference between the (001), (011), and (111) copper surfaces were investigated. Temperature discontinuities were observed at the boundary of grains due to the phonon mismatch, phonon backscattering, and atomic forces between dissimilar structures at the GBs. We observed that the temperature decreases gradually in the GB area rather than a sharp drop at the interface. As a result, three distinct temperature gradients developed at the GB which were different than the one observed in the bulk solid. This behavior extends a couple molecular diameters into both sides of the interface where we defined a thickness at GB based on the measured temperature profiles for characterization. Results showed dependence on the selection of the bin size used to average the temperature data from the molecular dynamics system. The bin size on the order of the crystal layer spacing was found to present an accurate temperature profile through the GB. We further calculated the GB thickness of various cases by using potential energy (PE) distributions which showed agreement with direct measurements from the temperature profile and validated the proper binning. The variation of grain crystal orientation developed different molecular densities which were characterized by the average atomic surface density (ASD) definition. Our results revealed that the ASD is the primary factor affecting the structural disorders and heat transfer at the solid-solid interfaces. Using a system in which the planes are highly close-packed can enhance the probability of interactions and the degree of overlap between vibrational density of states (VDOS) of atoms forming at interfaces, leading to a reduced ITR. Thus, an accurate understanding of thermal characteristics at the GB can be formulated by selecting a proper bin size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Development of a multi-lane X-ray mirror providing variable beam sizes

Grazing incidence mirrors are used on most X-ray synchrotron beamlines to focus, collimate or suppress harmonics. Increasingly beamline users are demanding variable beam shapes and sizes at the sample position. We have now developed a new concept to rapidly vary the beam size and shape of a focused X-ray beam. The surface of an elliptically figured mirror is divided into a number of laterally separated lanes, each of which is given an additional longitudinal height profile calculated to shape the X-ray beam to a top-hat profile in the focal plane. We have now fabricated two prototype mirrors and present the results of metrology tests and measurements made with one of the mirrors focusing the X-rays on a synchrotron beamline. We envisage that such mirrors could be widely applied to rapid beam-size switching on many synchrotron beamlines.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer’s peptides

Coarse-grained protein lattice models approximate atomistic details and keep the essential interactions. They are, therefore, suitable for capturing generic features of protein folding and amyloid formation at low computational cost. As our aim is to study the critical nucleus sizes of two experimentally well-characterized peptide fragments Aβ{sub 16−22} and Aβ{sub 37−42} of the full length Aβ{sub 1−42} Alzheimer’s peptide, it is important that simulations with the lattice model reproduce all-atom simulations. In this study, we present a comprehensive force field parameterization based on the OPEP (Optimized Potential for Efficient protein structure Prediction) force field for an on-lattice protein model, which incorporates explicitly the formation of hydrogen bonds and directions of side-chains. Our bottom-up approach starts with the determination of the best lattice force parameters for the Aβ{sub 16−22} dimer by fitting its equilibrium parallel and anti-parallel β-sheet populations to all-atom simulation results. Surprisingly, the calibrated force field is transferable to the trimer of Aβ{sub 16−22} and the dimer and trimer of Aβ{sub 37−42}. Encouraged by this finding, we characterized the free energy landscapes of the two decamers. The dominant structure of the Aβ{sub 16−22} decamer matches the microcrystal structure. Pushing the simulations for aggregates between 4-mer and 12-mer suggests a nucleus size for fibril formation of 10 chains. In contrast, the Aβ{sub 37−42} decamer is largely disordered with mixed by parallel and antiparallel chains, suggesting that the nucleus size is >10 peptides. Our refined force field coupled to this on-lattice model should provide useful insights into the critical nucleation number associated with neurodegenerative diseases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Photon absorption and emission properties of 7 Å SiC nanoclusters: Electronic gap, surface state, and quantum size effect

People know little experimentally about the physical properties of the SiC nanoclusters with sizes of a couple of angstroms. Herein, we study the electronic structure and light absorption/emission properties of the SiC nanoclusters with an average diameter of 7 Å that are fabricated by diminishing the sizes of the SiC microcrystals under high pressure and high temperature. The results reveal that the SiC nanoclusters have an indirect energy gap of 5.1 eV. Unlike the case of larger SiC nanocrystals, the luminescence of the SiC nanoclusters is dominated by two types of oxygen-related surface defects, and the maximum of their photoluminescence/photoluminescence excitation spectrum lies at 4.1/3.3 and 3.8/3.0 eV, respectively. The energy gap of the SiC nanoparticles with reference to bulk value is found to be inversely proportional to the diameter to the power 0.97, which shows slower increase of energy gap with decreasing size than what is predicted by using the first-principles calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Efficiency roll-off suppression in organic light-emitting diodes using size-tunable bimetallic bowtie nanoantennas at high current densities

Size-tunable bimetallic bowtie nanoantennas have been utilized to suppress the efficiency roll-off characteristics in organic light-emitting diodes (OLEDs) using both the numerical and experimental approaches. The resonant range can be widened by the strong dual-atomic couplings in bimetallic bowtie nanoantennas. Compared with the green OLED with conventional bowtie nanoantennas at a high current density of 800 mA/cm{sup 2}, the measured efficiency roll-off ratio of the OLED with size-modulated bowtie nanoantennas is decreased from 53.2% to 41.8%, and the measured current efficiency is enhanced by 29.9%. When the size-modulated bowtie nanoantennas are utilized in blue phosphorescent OLEDs, the experimental roll-off ratio is suppressed from 43.6% to 25.9% at 250 mA/cm{sup 2}, and the measured current efficiency is also enhanced significantly. It is proposed that the efficiency roll-off suppression is mainly related to the enhanced localized surface plasmon effect, which leads to a shorter radiative lifetime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Facile method for liquid-exfoliated graphene size prediction by UV-visible spectroscopy

In this work, an application of UV spectroscopy for facile prediction of liquid –exfoliated graphene size is discussed. Dynamic light scattering method was used to estimate the graphene flake size ( whilst UV spectroscopy measurement was carried out for extinction coefficient value (ε) determination. It was found that the value of (ε) decreased gradually as the graphene size was further reduced after intense sonication time (7h). This observation showed the influence of sonication time on electronic structure of graphene. A mathematical equation was derived from log-log graph for correlation between ( ) and (ε) value. Both values can be expressed in a single equation as ( = (3.4 × 10{sup −2}) ε{sup 1.2}).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case

We developed a molecular Debye-Hückel theory for electrolyte solutions with size asymmetry, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes. Furthermore, as the size asymmetry of an electrolyte solution leads to a charge imbalanced border zone around a solute, the dielectric response to the solute is characterized by two types of charge sources, namely, a bare solute charge and a charge distribution due to size asymmetry. These two kinds of charge sources are screened by the solvent differently, our theory presents a method to calculate the mean electric potential as well as the electrostatic contributions to thermodynamic properties. Finally, the theory was successfully applied to binary as well as multi-component primitive models of electrolyte solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Size dependence of photocatalytic hydrogen generation for CdTe quantum dots

CdTe quantum dots (QDs) are attractive photosensitizers for photocatalytic proton reduction due to their broad absorbance profile that can extend from the ultraviolet to near-infrared regions, providing access to a larger portion of the solar spectrum than possible with analogous CdSe and CdS QD photosensitizers. Here, the photocatalytic hydrogen (H 2 ) generation from various sizes of dihydrolipoic acid (DHLA)-capped CdTe QDs, ranging from 2.5 to 7.5 nm in diameter, and a molecular Ni-DHLA catalyst in aqueous solutions was evaluated, and an unusual size-dependent photocatalytic activity with CdTe QDs was observed. Under optimized conditions, using 3.4 nm CdTe-DHLA and a 1:20 ratio of QD/Ni-DHLA catalyst, as many as 38 000 turnover numbers (mol H 2 per mol QD) were achieved. However, below this critical size, the H 2 production efficiency decreased; this behavior is attributed to the rapid oxidation of the QD surface, resulting in detrimental surface trap states. These results are consistent with ultrafast transient absorption spectroscopic measurements, which suggest the presence of extremely fast charge-trapping processes in the oxidized CdTe-DHLA QDs. While fast electron transfer from CdTe-DHLA QDs is observed in the presence of the Ni-DHLA catalyst, the charge trapping processes occur on a competitive time scale, thus lowering the efficiency of the CdTe/Ni-DHLA H 2 production system. Understanding rapid charge trapping in CdTe QDs may help suggest potential improvements for the overall CdTe photocatalytic system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Three-dimensional microstructure-explicit and void-explicit mesoscale simulations of detonation of HMX at millimeter sample size scale

Fully three-dimensional (3D) microstructure-explicit and void-explicit mesoscale simulations of the shock-to-detonation (SDT) process of pressed granular HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are performed. The overall size scale of the models is up to 3 × 3 × 15 mm3, with ∼30 000 grains and 206 265 voids. The models account for the heterogeneous material microstructure, constituent distribution, constituent morphology, and voids. Loading conditions considered involve piston velocities in the range of 600–1200 m/s or pressures in the range of 4–8 GPa. The focus is on analyzing the SDT process and the effects of microstructure and voids on the run-to-detonation distance (RDD). Companion two-dimensional (2D) simulations are also carried out to assess the differences between 2D and 3D. Statistically equivalent microstructure sample sets (SEMSSs) are generated and used for both 2D and 3D, allowing the prediction of the statistical and probabilistic Pop plots (PPs). The predictions are in general agreement with trends in available experimental data in the literature. It is found that both the microstructure (heterogeneous grain size, morphology, and size distribution) and voids significantly affect the RDD and the PPs. These effects are systematically delineated and quantified via the use of SEMSSs with different combinations of attributes. A recently developed probabilistic formulation for the PPs is used to characterize the results, allowing uncertainties in the relations between the shock pressure and RDD arising from material heterogeneities to be quantified. The probabilistic formulation is further used to quantify the confidence levels in the ranked order of influences of different combinations of microstructure and voids on the PPs.

Miller, Christopher (ORCID:0000000206844381)↗