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At least 1,063 records · Page 59

Investigation of specimen size effects by in-situ microcompression of equal channel angular pressed copper

Here, micropillar compression testing was implemented on Equal Channel Angular Pressed copper samples ranging from 200 nm to 10 µm in side length in order to measure the mechanical properties yield strength, first load drop during plastic deformation at which there was a subsequent stress decrease with increasing strain, work hardening, and strain hardening exponent. Several micropillars containing multiple grains were investigated in a 200 nm grain sample. The effective pillar diameter to grain size ratios, D/d , were measured to be between 1.9 and 27.2. Specimens having D/d ratios between 0.2 and 5 were investigated in a second sample that was annealed at 200 °C for 2 h with an average grain size of 1.3 µm. No yield strength or elastic modulus size effects were observed in specimens in the 200 nm grain size sample. However work hardening increases with a decrease in critical ratios and first stress drops occur at much lower stresses for specimens with D/d ratios less than 5. For comparison, bulk tensile testing of both samples was performed, and the yield strength values of all micropillar compression tests for the 200 nm grained sample are in good agreement with the yield strength values of the tensile tests.

36 MATERIALS SCIENCE↗

Grain subdivision and structural modifications by high-energy heavy ions in UO 2 with different initial grain size

Irradiation with 84 MeV Xe ions at peak fluence above 7 × 10 17 ions/cm 2 has been carried out on two UO 2 samples with different initial grain sizes at 300 °C and 500 °C. Characterization of both grain structure and bubble morphology has been performed using transmission electron microscopy, image analysis and precession electron diffraction. The bubble size in the large-grained sample was smaller than that in the standard-grain sample, confirming fission gas precipitation resistance in the former. The ion irradiation in the high electronic energy deposition range has caused formation of a large density of dislocations which resulted in grain polygonization for the sample with standard grain size, which was observed in multiple lamellas extracted next to each other at peak dose. The sample with large grains showed inconsistent behavior. In one case, dislocation pile-up occurred, but no sub-grain formation was observed. An adjacent location showed sub-grain formation, even if to less extent compared to the standard grain-size sample. Furthermore, these findings suggest a limited polygonization resistance in large-grained UO 2 compared to standard-grain UO 2 . Recrystallization of both sample surfaces was present, leaving unclear if this is a surface effect or a consequence of the highest energy deposition rate in this area.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Computational predictions of porosities, pore size distributions, and conductivities of aerosol deposited particulate films

The structure and resulting physical properties of aerosol deposited particulate films are governed by the size distribution and morphology of the depositing particles as well as the physics governing particle deposition. While particulate film deposition processes are qualitatively understood, the link between particle characteristics and deposition physics to film properties has not been probed systematically. Here we apply a combination of Langevin dynamics deposition simulations, Monte Carlo pore size distribution calculations, and predictions of thermal conductivities to better establish such process parameter-film property relationships. Furthermore, we account for partial coalescence, polydispersity, and aggregate deposition. We establish that the deposition of polydisperse and aggregated particles leads to broadening of the pore size distribution function and an increase in the mode pore size. Via a non-continuum gas conductivity model, we show that aerosol deposited films can achieve porosities and thermal conductivities similar to conventional aerogels.

36 MATERIALS SCIENCE↗

A deep learning-based battery sizing optimization tool for hybridizing generation plants

Hybrid generation and energy storage systems offer the ability to increase flexibility of the combined asset. This flexibility can be used to increase provision of services already provided by the generation asset, such as timing sale of electricity to the energy market during high price periods, and also enable provision of additional services, such as ancillary services or contribute to resource adequacy. From a generation asset owner perspective, the decision to hybridize includes selecting an energy storage system that, among other factors, maximizes financial performance of the energy storage investment. Yet, existing tools to optimize energy storage sizing are either too rudimentary (i.e., based on “rules of thumb”) or too complex to implement (i.e., require specialized engineering and software knowledge and a high-performance computer to run). This work presents a novel deep learning-based battery sizing optimization tool that is designed to help generation asset owners easily assess preliminary sizing considerations for potential battery investments to hybridize their generation facility. The tool uses deep learning to predict revenue over a broad search space of potential battery sizes, estimates capital and operating costs (including accounting for battery degradation), and computes financial performance of each potential battery system investment, recommending a system with maximum financial performance. The tool is tested and validated for hydropower assets. Finally, this tool will help a greater cross-section of industry consider investments in battery systems, increasing their revenue and helping them compete in rapidly evolving electrify markets.

13 HYDRO ENERGY↗

Disorder-to-Order Transition Mediated by Size Refocusing: A Route toward Monodisperse Intermetallic Nanoparticles

Intermetallic nanoparticles are remarkable because of their often enhanced catalytic, magnetic, and optical properties, which arise from their ordered crystal structures and high structural stability. Typical syntheses of intermetallic nanoparticles include thermal annealing of the disordered counterpart in atmosphere (or vacuum) or colloidal syntheses, where the phase transformation is achieved in solution. Although both methods can produce intermetallic nanoparticles, there is difficulty in achieving monodisperse nanoparticles, which is critical to exploiting their properties for various applications. In this work, we demonstrate that overgrowth on random alloy AuCu nanoparticles mediated by size refocusing yields monodisperse intermetallic AuCu nanoparticles. Size refocusing has been used in syntheses of semiconductor and upconverting nanocrystals to achieve monodisperse samples, but now we demonstrate size refocusing as a mechanism to achieve the disorder-to-order phase transformation in multimetallic nanoparticles. The phase transformation was monitored by time evolution experiments, where analysis of reaction aliquots with transmission electron microscopy and powder X-ray diffraction revealed the generation and dissolution of small nanoparticles coupled with an increase in the average size of the nanoparticles and conversion to the ordered phase. This demonstration advances the understanding of intermetallic nanoparticle formation in colloidal syntheses, which can expedite the development of electrocatalysts and magnetic storage materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Highly Tunable Hollow Gold Nanospheres: Gaining Size Control and Uniform Galvanic Exchange of Sacrificial Cobalt Boride Scaffolds

In principle, the diameter and surface plasmon resonance (SPR) frequency of hollow metal nanostructures can be independently adjusted, allowing the formation of targeted photoactivated structures of specific size and optical functionality. Although tunable SPRs have been reported for various systems, the shift in SPR is usually concomitant with a change in particle size. As such, more advanced tunability, including constant diameter with varying SPR or constant SPR with varying diameter, has not been properly achieved experimentally. In this paper, we demonstrate this advanced tunability with hollow gold nanospheres (HGNs). HGNs were synthesized through galvanic exchange using cobalt-based nanoparticles (NPs) as sacrificial scaffolds. Co 2 B NP scaffolds were prepared by sodium borohydride nucleation of aqueous cobalt chloride and characterized using UV-vis, dynamic light scattering, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy. Careful control over the size of the Co 2 B scaffold and its galvanic conversion is essential to realize fine control of the resultant HGN diameter and shell thickness. In pursuit of size control, we introduce B(OH) 4 - (the final product of NaBH 4 hydrolysis) as a growth agent to obtain hydrodynamic diameters ranging from ~17-85 nm with relative standard deviation <3%. The highly monodisperse Co 2 B NPs were then used as scaffolds for the formation of HGNs. In controlling HGN shell thickness and uniformity, environmental oxygen was shown to affect both the structural and optical properties of the resultant gold shells. With careful control of these key factors, we demonstrate an HGN synthesis that enables independent variation of diameter and shell thickness, and thereby SPR, with unprecedented uniformity. Finally, the new synthesis method creates a truly tunable plasmonic nanostructure platform highly desirable for a wide range of applications, including sensing, catalysis, and photothermal therapy.

36 MATERIALS SCIENCE↗

Size-Dependent Energy and Adhesion of Pd Nanoparticles on Graphene on Ni(111) by Pd Vapor Adsorption Calorimetry

Carbon-supported late transition-metal nanoparticles are promising catalysts and electrocatalysts for wide-ranging applications. However, experimental investigations of the bonding energetics of metal nanoparticles on carbon supports are very limited. Here, in this work, we report heats of adsorption of Pd vapor deposited onto single-layer graphene(0001) supported on Ni(111) at 100 and 300 K as Pd grows particles of well-defined size in the range from three atom clusters to 6 nm diameter. Sizes were determined from He + low-energy ion scattering (LEIS). In this size range, the differential heat of Pd adsorption increases from 228 kJ/mol to within 10 kJ/mol of the heat of sublimation of bulk Pd (377 kJ/mol). The chemical potential of metal atoms in these nanoparticles as a function of average particle size was determined from these results. The adhesion energy at the Pd/graphene(0001)/Ni(111) interface was extracted from these data and found to be 3.5 J/m 2 for the largest Pd particles. For the three metal elements that have now been studied (Pd, Ni, and Ag), we found an increase in metal/graphene(0001)/Ni(111) adhesion energy with metal carbophilicity, which we defined here as the heat of C atom adsorption on that metal’s (111) surface estimated from published density functional theory calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Catalysis applications of size-selected cluster deposition

In this Perspective, we review recent studies of size-selected cluster deposition for catalysis applications performed at the U.S. DOE National Laboratories, with emphasis on work at Argonne National Laboratory (ANL) and Brookhaven National Laboratory (BNL). The focus is on the preparation of model supported catalysts in which the number of atoms in the deposited clusters is precisely controlled using a combination of gas-phase cluster ion sources, mass spectrometry, and soft-landing techniques. This approach is particularly effective for investigations of small nanoclusters, 0.5-2 nm (<200 atoms), where the rapid evolution of the atomic and electronic structure makes it essential to have precise control over cluster size. Cluster deposition allows for independent control of cluster size, coverage, and stoichiometry (e.g., the metal-to-oxygen ratio in an oxide cluster) and can be used to deposit on any substrate without constraints of nucleation and growth. Examples are presented for metal, metal oxide, and metal sulfide cluster deposition on a variety of supports (metals, oxides, carbon/diamond) where the reactivity, cluster-support electronic interactions, and cluster stability and morphology are investigated. Both UHV and in situ/operando studies are presented that also make use of surface-sensitive X-ray characterization tools from synchrotron radiation facilities. Novel applications of cluster deposition to electrochemistry and batteries are also presented. This review also highlights the application of modern ab initio electronic structure calculations (density functional theory), which can essentially model the exact experimental system used in the laboratory (i.e., cluster and support) to provide insight on atomic and electronic structure, reaction energetics, and mechanisms. As amply demonstrated in this review, the powerful combination of atomically precise cluster deposition and theory is able to address fundamental aspects of size-effects, cluster-support interactions, and reaction mechanisms of cluster materials that are central to how catalysts function. Lastly, the insight gained from such studies can be used to further the development of novel nanostructured catalysts with high activity and selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling the Size Distribution and Chemical Composition of Secondary Organic Aerosols during the Reactive Uptake of Isoprene-Derived Epoxydiols under Low-Humidity Condition

Reactive uptake of isoprene epoxydiols (IEPOX), which are isoprene oxidation products, onto acidic sulfate aerosols is recognized to be an important mechanism for the formation of isoprene-derived secondary organic aerosol (SOA). While a mechanistic understanding of IEPOX-SOA formation exists, several processes affecting their formation remain uncertain. Evaluating mechanistic IEPOX-SOA models with controlled laboratory experiments under longer atmospherically relevant timescales is critical. Here, we implement our latest understanding of IEPOX-SOA formation within a box model to simulate the measured reactive uptake of IEPOX on polydisperse ammonium bisulfate seed aerosols within an environmental Teflon chamber. The model is evaluated with single-particle measurements of size distribution, volume, density, and composition of aerosols due to IEPOX-SOA formation at timescales of hours. Additionally, we find that the model can simulate the growth of particles due to IEPOX multiphase chemistry, as reflected in increases of the mean particle size and volume concentrations, and a shift of number size distribution to larger sizes. The model also predicts the observed evolution of particle number mean diameter and total volume concentrations at the end of the experiment. We show that in addition to self-limiting effects of IEPOX-SOA coatings, accounting for the molar balance between inorganic and organic sulfate and mass accommodation coefficient of IEPOX are important parameters governing modeling of IEPOX-SOA formation. Thus, models which do not account for the molar sulfate balance and/or diffusion limitations within IEPOX-SOA coatings are likely to predict too high IEPOX-SOA formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Excitation Intensity- and Size-Dependent Halide Photosegregation in CsPb(I 0.5 Br 0.5 ) 3 Perovskite Nanocrystals

Although broad consensus exists that photoirradiation of mixed-halide lead perovskites leads to anion segregation, no model today fully rationalizes all aspects of this near ubiquitous phenomenon. In this work, we quantitatively compare experimental, CsPb(I 0.5 Br 0.5 ) 3 nanocrystal (NC) terminal anion photosegregation stoichiometries and excitation intensity thresholds to a band gap-based, thermodynamic model of mixed-halide perovskite photosegregation. Mixed-halide NCs offer strict tests of theory given physical sizes, which dictate local photogenerated carrier densities. We observe that mixed-anion perovskite NCs exhibit significant robustness to photosegregation, with photosegregation propensity decreasing with decreasing NC size. Observed size- and excitation intensity-dependent photosegregation data agree with model predicted size- and excitation intensity-dependent terminal halide stoichiometries. Established correspondence between experiment and theory, in turn, suggests that mixed-halide perovskite photostabilities can be predicted a priori using local gradients of (empirical) Vegard’s law expressions of composition-dependent band gaps.

36 MATERIALS SCIENCE↗

Effect of particle size on the thermo-optic properties of gold nanofluids – A thermal lens study

Spherical gold nanoparticles having particle size in the range 30 to 50 nm are prepared using citrate reduction of gold chloride trihydrate in water. The influence of particle size on the thermal diffusivity value of gold nanofluid is measured using dual beam thermal lens technique. The present study shows that the particle size influences the effective thermal diffusivity value of the nanofluid substantially and the value decreases with decrease in particle size for the investigated samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Annealing effect on the particle size and chemical composition of activated carbon obtained from vacuum furnace of teak sawdust

Activated carbon was produced from sawdust by using physical method in a high temperature vacuum furnace without additional chemical. Fast pyrolysis process was carried out prior in fluidized a bed furnace to produce char before activation process. Experiments were conducted to investigate the influence of various process parameters such as particle size, activation temperature and activation time on the quality of the activated carbon. In addition, the chemical composition studies were done by using x-ray fluorescence (XRF) spectroscopy. The crystallite sizes were calculated by using Scherer equation based on x-ray diffraction (XRD) spectroscopy data. The pyrolysis temperature and time were varied from 600°C to 900°C and from 3 hours to 6 hours, respectively. The particle size of activated carbon was increase with increasing temperature. The composition and crystallite size of the prepared activated carbon was compared with the non-activated carbon. The results indicated that the teak sawdust carbon could be employed as a low cost alternative to produce commercial activated carbon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Size effect of strong-coupled superconducting In{sub 2}Bi nanoparticles: An investigation of short-range electron phonon coupling

We report the influence of the nanosized effect on the superconducting properties of bimetallic In{sub 2}Bi nanoparticles. In this study, the temperature- and applied magnetic field-dependence of the magnetization were utilized to investigate the electron-phonon coupling effect while controlling particle sizes 〈d〉 from 21(2) to 42(5) nm. As the particle size decreases, the electron-phonon constant λ{sub EP} decreases rapidly, signaling the short-range electron-phonon coupling effect which acts to confine the electrons within a smaller volume, thereby giving rise to a higher superconducting transition temperature T{sub C}. An enhanced superconducting transition was observed from the temperature dependence of magnetization, revealing a main diamagnetic Meissner state below T{sub C} ∼ 5.72(5) K for 〈d〉 = 31(1) nm In{sub 2}Bi nanoparticles. The variation of the T{sub C} is very sensitive to the particle size, which might be due to crystallinity and size uniformity of the samples. The electron-phonon coupling to low lying phonons is found to be the leading mechanism for the observed strong-coupling superconductivity in the In{sub 2}Bi system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The effect of particle size on the morphology and thermodynamics of diblock copolymer/tethered-particle membranes

A combination of self-consistent field theory and density functional theory was used to examine the effect of particle size on the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Particle size was varied between one and four tenths of the radius of gyration of the diblock polymer chain for neutral particles as well as those either favoring or disfavoring segments of the copolymer blocks. Phase diagrams were constructed and analyzed in terms of thermodynamic diagrams to understand the physics associated with the molecular-level self-assembly processes. Typical morphologies were observed, such as lamellar, spheroidal, cylindrical, gyroidal, and perforated lamellar, with the primary concentration region of the tethered particles being influenced heavily by particle size and tethering location, strength of the particle-segment energetic interactions, chain length, and copolymer radius of gyration. The effect of the simulation box size on the observed morphology and system thermodynamics was also investigated, indicating possible effects of confinement upon the system self-assembly processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parametric interactions in presence of different size colloids in semiconductor quantum plasmas

Present work is an attempt to investigate the effect of different size colloids on parametric interaction in semiconductor quantum plasma. Inclusion of quantum effect is being done in this analysis through quantum correction term in classical hydrodynamic model of homogeneous semiconductor plasma. The effect is associated with purely quantum origin using quantum Bohm potential and quantum statistics. Colloidal size and quantum correction term modify the parametric dispersion characteristics of ion implanted semiconductor plasma medium. It is found that quantum effect on colloids is inversely proportional to their size. Moreover critical size of implanted colloids for the effective quantum correction is determined which is found to be equal to the lattice spacing of the crystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ultrafast image-based dynamic light scattering for nanoparticle sizing

An ultrafast sizing method for nanoparticles is proposed, called as UIDLS (Ultrafast Image-based Dynamic Light Scattering). This method makes use of the intensity fluctuation of scattered light from nanoparticles in Brownian motion, which is similar to the conventional DLS method. The difference in the experimental system is that the scattered light by nanoparticles is received by an image sensor instead of a photomultiplier tube. A novel data processing algorithm is proposed to directly get correlation coefficient between two images at a certain time interval (from microseconds to milliseconds) by employing a two-dimensional image correlation algorithm. This coefficient has been proved to be a monotonic function of the particle diameter. Samples of standard latex particles (79/100/352/482/948 nm) were measured for validation of the proposed method. The measurement accuracy of higher than 90% was found with standard deviations less than 3%. A sample of nanosilver particle with nominal size of 20 ± 2 nm and a sample of polymethyl methacrylate emulsion with unknown size were also tested using UIDLS method. The measured results were 23.2 ± 3.0 nm and 246.1 ± 6.3 nm, respectively, which is substantially consistent with the transmission electron microscope results. Since the time for acquisition of two successive images has been reduced to less than 1 ms and the data processing time in about 10 ms, the total measuring time can be dramatically reduced from hundreds seconds to tens of milliseconds, which provides the potential for real-time and in situ nanoparticle sizing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Synthesis of nano-sized ZnO particles by co-precipitation method with variation of heating time

Zinc oxide powders have been synthesized by a co-precipitation method at low temperature (85 °C), using zinc acetate dihydrate, ammonia, hydrochloric acid solutions as the reactants. A number of process parameters such as reaction temperature, solution basicity or pH and heating time are the main factors affecting the morphology and physical properties of the ZnO nanostructures. In this work the effect of heating time on the morphology and particles size were studied. The as-synthesized ZnO powders were characterized using transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The samples were also analyzed using Fourier transform infrared (FTIR). Rietveld refinement of XRD data confirms that ZnO crystallizes in the hexagonal wurtzite structure with high degree of purity and the (101) plane predominant. The XRD results show that the average crystallite sizes were about 66, 27 and 12 nm for 3, 4 and 5 h of heating times, respectively. The XRD analysis indicated that a fraction of nano-sized ZnO powders were in the form of aggregates, which was also verified by TEM image. The TEM photograph demonstrated that the nano-sized ZnO particles were a pseudo-spherical shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure and particle size analysis of LaFeO{sub 3} nanoparticles

Particle size analysis of LaFeO{sub 3} nanoparticles has been done through different methods. A simple low temperature syntheses of LaFeO{sub 3}-NPs were carried out via PVA based sol-gel method. The role of PVA in this method is complexing agent. The product were characterized with the help of X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), and Transmission Electron Microscopy (TEM). The Rietveld refinement on X-ray diffraction peaks have been done in order to calculate various structural parameters. The Scherrer method was applied to calculate the crystallite size. Further, the crystallite size and associated lattice strain of LaFeO{sub 3}-NPs were studied using Williamson-Hallmethod. The FESEM image shows the presence of spherical morphology. The formation of LaFeO{sub 3} nanoscale particles, with their size, has been confirmed by TEM characterization.

77 NANOSCIENCE AND NANOTECHNOLOGY↗