Structural Optimization or 3D Porous Electrodes for High Rate-Performance Lithium Ion Batteries
Abstract not provided
25 ENERGY STORAGE↗
Engineering topics
Wang, Y
Publications and source records attributed to Wang, Y.
First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques
This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Controlled Synthesis of Nanosized Palladium icosahedra and Their Catalytic Activity towards Formic-Acid Oxidation
N/A
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
In Situ X-ray Absorption Fine Structure Studies on the Effect of pH on Pt Electronic Density during Aqueous Phase Reforming of Glycerol
Abstract not provided
Karim, Ayman M↗
Using controlled disorder to distinguish $s$ ± and $s$ ++ gap structure in Fe-based superconductors
We reconsider the effect of disorder on the properties of a superconductor characterized by a sign-changing order parameter appropriate for Fe-based materials. Within a simple two-band model, we calculate simultaneously T c , the change in residual resistivity Δρ 0 , and the zero-energy density of states, and show how these results change for various types of gap structure and assumptions regarding the impurity scattering. The rate of T c suppression is shown to vary dramatically according to details of the impurity model considered. We search therefore for a practical, experimentally oriented signature of a gap of the s ± type, and propose that observation of a particular evolution of the penetration depth, nuclear magnetic resonance relaxation rate, or thermal conductivity temperature dependence with disorder would suffice.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
A MRPC prototype for SOLID-TOF in Jlab
A prototype of Multi-gap Resistive Plate Chamber (MRPC) for the future SoLID time of flight system at JLab has been developed. The counter, trapezoidal in shape, is assembled with the newly developed low-resistive Chinese glass. It has 10 × 0.25 mm gas gaps and 11 readout strips of different lengths. The strip width is 2.5 cm with a strip-to-strip interval of 3 mm. Preliminary tests performed with cosmic-rays showed an efficiency higher than 95% and a time resolution around 50 ps. Results under diffuse/uniform irradiation performed at JLab with scattered high energy electrons showed a time resolution of 70–80 ps and over-95% efficiency up to an incoming flux of 15 kHz/cm{sup 2}. These performances meet the requirements of the new time of flight system SoLID-TOF.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Radiation damage in heteroepitaxial BaTiO{sub 3} thin films on SrTiO{sub 3} under Ne ion irradiation
The microstructure evolution of heteroepitaxial BaTiO{sub 3} (BTO) thin films grown on single crystal (001) SrTiO{sub 3} (STO) under Ne irradiation at room temperature was systematically investigated with special attention given to the behavior at the BTO/STO interface. Cross sectional transmission electron microscope investigations reveal that amorphization occurs at the top BTO film region. BTO grains in the dimensions of 10-20 nm survived the irradiation damage and maintained their original crystal orientation. Other irradiation-induced defects such as dislocation loops and defect clusters were observed only at the portion of the BTO thin film near the interface, but not at the STO side of the bilayer. Atomic calculations find that the energetics of defects are very similar on each side of the BTO/STO interface, suggesting that the interface will not significantly modify radiation damage evolution in this system, in agreement with the experimental observations. These results support the hypothesis we presented in previous work about the role of coherent interfaces on radiation damage evolution.
36 MATERIALS SCIENCE↗
Effects of laser energy fluence on the onset and growth of the Rayleigh-Taylor instabilities and its influence on the topography of the Fe thin film grown in pulsed laser deposition facility
The effect of laser energy fluence on the onset and growth of Rayleigh-Taylor (RT) instabilities in laser induced Fe plasma is investigated using time-resolved fast gated imaging. The snow plow and shock wave models are fitted to the experimental results and used to estimate the ablation parameters and the density of gas atoms that interact with the ablated species. It is observed that RT instability develops during the interface deceleration stage and grows for a considerable time for higher laser energy fluence. The effects of RT instabilities formation on the surface topography of the Fe thin films grown in pulsed laser deposition system are investigated (i) using different laser energy fluences for the same wavelength of laser radiation and (ii) using different laser wavelengths keeping the energy fluence fixed. It is concluded that the deposition achieved under turbulent condition leads to less smooth deposition surfaces with bigger sized particle agglomerates or network.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
A framework for benchmarking land models
Land models, which have been developed by the modeling community in the past few decades to predict future states of ecosystems and climate, have to be critically evaluated for their performance skills of simulating ecosystem responses and feedback to climate change. Benchmarking is an emerging procedure to measure performance of models against a set of defined standards. This paper proposes a benchmarking framework for evaluation of land model performances and, meanwhile, highlights major challenges at this infant stage of benchmark analysis. The framework includes (1) targeted aspects of model performance to be evaluated, (2) a set of benchmarks as defined references to test model performance, (3) metrics to measure and compare performance skills among models so as to identify model strengths and deficiencies, and (4) model improvement. Land models are required to simulate exchange of water, energy, carbon and sometimes other trace gases between the atmosphere and land surface, and should be evaluated for their simulations of biophysical processes, biogeochemical cycles, and vegetation dynamics in response to climate change across broad temporal and spatial scales. Thus, one major challenge is to select and define a limited number of benchmarks to effectively evaluate land model performance. The second challenge is to develop metrics of measuring mismatches between models and benchmarks. The metrics may include (1) a priori thresholds of acceptable model performance and (2) a scoring system to combine data–model mismatches for various processes at different temporal and spatial scales. The benchmark analyses should identify clues of weak model performance to guide future development, thus enabling improved predictions of future states of ecosystems and climate. The near-future research effort should be on development of a set of widely acceptable benchmarks that can be used to objectively, effectively, and reliably evaluate fundamental properties of land models to improve their prediction performance skills.
Biophysical Processes↗
Improved Neutronics Treatment of Burnable Poisons for the Prismatic HTR
In prismatic block High Temperature Reactors (HTR), highly absorbing material such a burnable poison (BP) cause local flux depressions and large gradients in the flux across the blocks which can be a challenge to capture accurately with traditional homogenization methods. The purpose of this paper is to quantify the error associated with spatial homogenization, spectral condensation and discretization and to highlight what is needed for improved neutronics treatments of burnable poisons for the prismatic HTR. A new triangular based mesh is designed to separate the BP regions from the fuel assembly. A set of packages including Serpent (Monte Carlo), Xuthos (1storder Sn), Pronghorn (diffusion), INSTANT (Pn) and RattleSnake (2ndorder Sn) is used for this study. The results from the deterministic calculations show that the cross sections generated directly in Serpent are not sufficient to accurately reproduce the reference Monte Carlo solution in all cases. The BP treatment produces good results, but this is mainly due to error cancellation. However, the Super Cell (SC) approach yields cross sections that are consistent with cross sections prepared on an “exact” full core calculation. In addition, very good agreement exists between the various deterministic transport and diffusion codes in both eigenvalue and power distributions. Future research will focus on improving the cross sections and quantifying the error cancellation.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Summertime photochemistry during CAREBeijing-2007: ROx budgets and O3 formation
We analyze summertime photochemistry near the surface in Beijing, China, using a 1-D photochemical model (Regional chEmical and trAnsport Model, REAM-1D) constrained by in situ observations, focusing on the budgets of ROx (OH + HO2 + RO2) radicals and O3 formation. While the modeling analysis focuses on near-surface photochemical budgets, the implications for the budget of O3 in the planetary boundary layer are also discussed. In terms of daytime average, the total ROx primary production rate near the surface in Beijing is 6.6 ppbv per hour (ppbv h{sup 1}, among the highest found in urban atmospheres. The largest primary ROx source in Beijing is photolysis of oxygenated volatile organic compounds (OVOCs), which produces HO2 and RO2 at 2.5 ppbv h{sup 1}1 and 1.7 ppbv h{sup 1}, respectively. Photolysis of excess HONO from an unknown heterogeneous source is the predominant primary OH source at 2.2 ppbv h{sup 1}, much larger than that of O1D+H2O (0.4 ppbv h{sup 1}). The largest ROx sink is via OH + NO2 reaction (1.6 ppbv h{sup 1}), followed by formation of RO2NO2 (1.0 ppbv h{sup 1}) and RONO2 (0.7 ppbv h{sup 1}). Due to the large aerosol surface area, aerosol uptake of HO2 appears to be another important radical sink, although the estimate of its magnitude is highly variable depending on the uptake coefficient value used. The daytime average O3 production and loss rates near the surface are 32 ppbv h{sup 1} and 6.2 ppbv h{sup 1}, respectively. Assuming NO2 to be the source of excess HONO, the NO2 to HONO transformation leads to considerable O3 loss and reduction of its lifetime. Our observation-constrained modeling analysis suggests that oxidation of VOCs (especially aromatics) and heterogeneous reactions (e.g. HONO formation and aerosol uptake HO2) play potentially critical roles in the primary radical budget and O3 formation in Beijing. One important ramification is that O3 production is neither NOx nor VOC limited, but in a transition regime where reduction of either NOx or VOCs could result in reduction of O3 production. The transition regime implies more flexibility in the O3 control strategies than a binary system of either NOx or VOC limited regime. The co-benefit of concurrent reduction of both NOx and VOCs in reducing column O3 production integrated in the planetary boundary layer is significant. Further research on the spatial extent of the transition regime over the polluted eastern China is critically important for controlling regional O3 pollution.
54 ENVIRONMENTAL SCIENCES↗
Self-consistent simulation of the initiation of the flashover discharge on vacuum insulator surface
A 2D particle-in-cell code, including the space charge effects of insulator surface charge, is established to simulate the initiation of insulator surface flashover. The simulation is started with a field electron emission, which provides the seed electrons of the surface flashover discharge. Then the secondary electron emission is caused by the seed electrons on the insulator surface, gets into an avalanche, and saturates rapidly in a region between the cathode and anode. And the saturation region spreads to the anode at a speed of {approx}10{sup 7} m/s, which is coincident with the experiment measurement.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗