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At least 775 records · Page 43

Physical and chemical effects of isopropanol exchange in cement-based materials

Drying cement-based materials is a necessary step to characterize the microstructure by microscopy, adsorption, or mercury intrusion. The isopropanol (IPA) exchange method is commonly used to replace the pore solution prior to drying, as it reduces the capillary pressure and thereby helps to preserve the microstructure of the hydrated cementitious materials. However, some physical and chemical effects of IPA on hydration products have been reported. These effects cannot be completely avoided, but can be reduced by shortening the exchange duration, in particular for effects on ettringite. This study carried out experiments with different exchange durations and IPA removal techniques to address research gaps in the literature. For 1-mm cubes of cement paste with IPA diffusion coefficient of 1 × 10{sup −11} m{sup 2}/s, the compared exchange durations are 5 min, 15 min (value from the literature), 40 min (when the mixture at the sample center achieves 95% of the drop in surface tension from water to IPA), 80 min (when the IPA/water mixture at the sample center reaches an azeotrope), 5 h (when over 99% IPA is replaced at the sample center), and 24 h (prolonged exchange). After IPA exchange, samples were either directly dried at 40 °C with flushing N{sub 2} or washed by diethyl ether prior to N{sub 2} drying. Even though the exchange duration of 40 and 80 min, in theory, can reduce the damage from capillary pressure, the nitrogen adsorption results do not show any advantage in preventing microstructural alteration. The 5-h exchange provided results similar to the 24-h exchange, but the latter induced slightly more serious chemical effects resulting from the longer contact of IPA with hydration products. In addition, the compared IPA removal techniques do not show significant differences. Therefore, this study suggests using small samples (~1 mm) for microstructural studies following IPA exchange for a period corresponding to the time when 99% of the water (mole fraction) at the sample center is replaced.

36 MATERIALS SCIENCE↗

pnnl/grid_prediction

Two datadriven predictive approaches, namely, {\em Koopman Operator Theoretic (KOT)-based} model and {\em Graph Neural Network (GNN)-based model}, to enable effective power system state predictions. The KOT-based approaches (Robust DMD, deepDMD) capture the power system evolution as a linear dynamical system on an abstract space. The GNNs model the spatio-temporal correlations using graph convolutional network and are called Spatio-Temporal Graph Convolutional Network (STGCN). These predictive models are trained, tested and compared rigorously based on their predictions of frequencies in the IEEE 68 bus system when subjected to a disturbance. GridSTAGE framework developed at Pacific Northwest National Laboratory is leveraged to generate multiple datasets (in the form of PMU measurements) for training and testing by strategically creating load changes across the spatial locations of the network

Nandanoor, Sai Pushpak↗

A Hybrid Energy System Workflow for Energy Portfolio Optimization

This manuscript develops a workflow, driven by data analytics algorithms, to support the optimization of the economic performance of an Integrated Energy System. The goal is to determine the optimum mix of capacities from a set of different energy producers (e.g., nuclear, gas, wind and solar). A stochastic-based optimizer is employed, based on Gaussian Process Modeling, which requires numerous samples for its training. Each sample represents a time series describing the demand, load, or other operational and economic profiles for various types of energy producers. These samples are synthetically generated using a reduced order modeling algorithm that reads a limited set of historical data, such as demand and load data from past years. Numerous data analysis methods are employed to construct the reduced order models, including, for example, the Auto Regressive Moving Average, Fourier series decomposition, and the peak detection algorithm. All these algorithms are designed to detrend the data and extract features that can be employed to generate synthetic time histories that preserve the statistical properties of the original limited historical data. The optimization cost function is based on an economic model that assesses the effective cost of energy based on two figures of merit: the specific cash flow stream for each energy producer and the total Net Present Value. An initial guess for the optimal capacities is obtained using the screening curve method. The results of the Gaussian Process model-based optimization are assessed using an exhaustive Monte Carlo search, with the results indicating reasonable optimization results. The workflow has been implemented inside the Idaho National Laboratory’s Risk Analysis and Virtual Environment (RAVEN) framework. The main contribution of this study addresses several challenges in the current optimization methods of the energy portfolios in IES: First, the feasibility of generating the synthetic time series of the periodic peak data; Second, the computational burden of the conventional stochastic optimization of the energy portfolio, associated with the need for repeated executions of system models; Third, the inadequacies of previous studies in terms of the comparisons of the impact of the economic parameters. The proposed workflow can provide a scientifically defendable strategy to support decision-making in the electricity market and to help energy distributors develop a better understanding of the performance of integrated energy systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Assessment of wind tunnel corrections for multielement airfoils at transonic speeds

A finite volume formulation of the Euler equations using Cartesian grids is used to calculate the transonic flow over multielement airfoils and to use the resulting solutions to assess wall interference effects in wind tunnels. Available methods and recommendations for evaluating such effects, which are based on shifts in Mach number and angle of attack, are examined and the results are compared with measurements using the flapped supercritical SKF 1.1 airfoil. Based on the calculations, it is concluded that shifts in Mach number and angle of attack cannot by themselves account for viscous and wall effects on multielement airfoils at transonic speeds.

Gaffney, R. L., Jr.↗

Independent Orbiter Assessment (IOA): Analysis of the manned maneuvering unit

Results of the Independent Orbiter Assessment (IOA) of the Failure Modes and Effects Analysis (FMEA) and Critical Items List (CIL) are presented. The IOA approach features a top-down analysis of the hardware to determine failure modes, criticality, and potential critical items (PCIs). To preserve indepedence, this analysis was accomplished without reliance upon the results contained within the NASA FMEA/CIL documentation. This report documents the independent analysis results corresponding to the Manned Maneuvering Unit (MMU) hardware. The MMU is a propulsive backpack, operated through separate hand controllers that input the pilot's translational and rotational maneuvering commands to the control electronics and then to the thrusters. The IOA analysis process utilized available MMU hardware drawings and schematics for defining hardware subsystems, assemblies, components, and hardware items. Final levels of detail were evaluated and analyzed for possible failure modes and effects. Criticality was assigned based upon the worst case severity of the effect for each identified failure mode. The IOA analysis of the MMU found that the majority of the PCIs identified are resultant from the loss of either the propulsion or control functions, or are resultant from inability to perform an immediate or future mission. The five most severe criticalities identified are all resultant from failures imposed on the MMU hand controllers which have no redundancy within the MMU.

Bailey, P. S.↗

Coseismic Excitation of the Earth's Polar Motion

Apart from the "shaking" near the epicenter that is the earthquake, a seismic event creates a permanent field of dislocation in the entire Earth. This redistribution of mass changes (slightly) the Earth's inertia tensor; and the Earth's rotation will change in accordance with the conservation of angular momentum. Similar to this seismic excitation of Earth rotation variations, the same mass redistribution causes (slight) changes in the Earth's gravitational field expressible in terms of changes in the Stokes coefficients of its harmonic expansion. In this paper, we give a historical background of the subject and discuss the related physics; we then compute the geodynamic effects caused by earthquakes based on normal-mode summation scheme. The effects are computed using the centroid moment tensor (CMT) solutions for 15,814 major earthquakes from Jan., 1977, through Feb., 1999, as provided in the Harvard CMT catalog. The computational results further strengthens these findings and conclusions: (i) the strong tendency for earthquakes to make the Earth rounder and more compact (however slightly) continues; (ii) so does the trend in the seismic "nudging" of the rotation pole toward the general direction of approx. 140 E, roughly opposite to that of the observed polar drift, but two orders of magnitude smaller in drift speed.

Chao, B. F.↗

An Integrated Approach for Gear Health Prognostics

In this paper, an integrated approach for gear health prognostics using particle filters is presented. The presented method effectively addresses the issues in applying particle filters to gear health prognostics by integrating several new components into a particle filter: (1) data mining based techniques to effectively define the degradation state transition and measurement functions using a one-dimensional health index obtained by whitening transform; (2) an unbiased l-step ahead RUL estimator updated with measurement errors. The feasibility of the presented prognostics method is validated using data from a spiral bevel gear case study.

He, David↗

Effect of space environment on space-based radar phased-array antenna (A0133)

Kapton polyimide film was selected as the baseline material for the Grumman spce based radar (SBR) concept. To gain the requisite confidence for long-term service durability, it is desirable to subject material specimens as well as a portion of the SBR antenna directly to the combined space environment and compare property degradation to that caused by laboratory simulation. The overall objective of this program is to evauate the effect of the space environment on polymeric materials currently being considered for the Grumman SBR Phased-Array Antenna. Degradation mechanisms caused by thermal cycling, ultraviolet and charged-particle irradiation, applied load, and high-voltage plasma interaction will be evaluated. The experiment occupies a 6-in.-deep end corner tray located on the space end of the Long Duration Exposure Facility and consists of both passive and active parts. The passive part addresses the effect of environment and stress on the dimensional stability spliced and continuous Kapton, both plain and reinforced. The active part will study the interaction of high voltage and low-Earth-orbit plasma.

Delasi, R. J.↗

Direct Simulation of Extinction in a Slab of Spherical Particles

The exact multiple sphere superposition method is used to calculate the coherent and incoherent contributions to the ensemble-averaged electric field amplitude and Poynting vector in systems of randomly positioned nonabsorbing spherical particles. The target systems consist of cylindrical volumes, with radius several times larger than length, containing spheres with positional configurations generated by a Monte Carlo sampling method. Spatially dependent values for coherent electric field amplitude, coherent energy flux, and diffuse energy flux, are calculated by averaging of exact local field and flux values over multiple configurations and over spatially independent directions for fixed target geometry, sphere properties, and sphere volume fraction. Our results reveal exponential attenuation of the coherent field and the coherent energy flux inside the particulate layer and thereby further corroborate the general methodology of the microphysical radiative transfer theory. An effective medium model based on plane wave transmission and reflection by a plane layer is used to model the dependence of the coherent electric field on particle packing density. The effective attenuation coefficient of the random medium, computed from the direct simulations, is found to agree closely with effective medium theories and with measurements. In addition, the simulation results reveal the presence of a counter-propagating component to the coherent field, which arises due to the internal reflection of the main coherent field component by the target boundary. The characteristics of the diffuse flux are compared to, and found to be consistent with, a model based on the diffusion approximation of the radiative transfer theory.

spheres↗

Optimized Incorporation of Furan into Diketopyrrolopyrrole-Based Conjugated Polymers for Organic Field-Effect Transistors

Flexible electronics have received considerable attention in the past decades due to their promising application in rollable display screens, wearable devices, implantable devices, and other electronic applications. Here, in particular, conjugated polymers are favored for flexible electronics due to their mechanical flexibility and potential for solution-processed fabrication techniques, such as blade-coating, roll-to-roll printing, and high-throughput printing allowing for high-performance transistor devices. Thiophene is the prevailing conjugated unit to construct these conjugated polymers due to its favorable electronic properties. On the other hand, furans are among the few conjugated moieties that are easily derived from bio renewable resources. To promote sustainability, we selectively introduced furan into the conjugated backbone of a high-mobility polymer scaffold and systematically studied the effect on the microstructure and charge transport. We show that partially and selectively replacing thiophene units with furan can yield nearly comparable performance compared to the all-thiophene polymer. This strategy offers an improvement in the sustainability of the polymer by incorporating bio-sourced furan without sacrificing the high-performance characteristics. Meanwhile, polymers with incorrect or complete furan incorporation show reduced mobilities. This work serves to develop coherent structure–morphology–performance relationships; such knowledge will establish guidelines for the future development of sustainable, furan-based conjugated materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Longitudinal Aerodynamic Characteristics and Effect of Rocket Jet on Drag of Models of the Hermes A-3A and A-3B Missiles in Free Flight at Mach Numbers From 0.6 to 2.0

A free-flight investigation over a Mach number range from 0.6 to 2.0 has been conducted to determine the longitudinal aerodynamic characteristics and effect of rocket jet on zero-lift drag of 1/5-scale models of two ballistic-type missiles, the Hermes A-3A and A-3B. Models of both types of missiles exhibited very nearly linear normal forces and pitching moments over the angle-of-attack range of 8 deg to -4 deg and Mach number range tested. The centers of pressure for both missiles were not appreciably affected by Mach number over the subsonic range; however, between a Mach number of 1.02 and 1.50 the center of pressure for the A-3A model moved forward 0.34 caliber with increasing Mach number. At a trim angle-of-attack of approximately 30 deg, the A-3A model indicated a total drag coefficient 30% higher than the power-off zero-lift drag over the subsonic Mach number range and 10% higher over the supersonic range. Under the conditions of the present test, and excluding the effect of the jet on base drag, there was no indicated effect of the propulsive jet on the total drag of the A-3A model. The propulsive jet operating at a jet pressure ratio p(sub j)/p(sub o) of 0.8 caused approximately 100% increase in base drag over the Mach number range M = 0.6 to 1.0. This increase in base drag amounts to 15% of the total drag. An underexpanded jet operating at jet pressure ratios corresponding approximately to those of the full-scale missile caused a 22% reduction in base drag at M = 1.55 (p(sub j)/p(sub o) = 1.76) but indicated no change at M = 1.30 (p(sub j)/p(sub o) = 1.43). At M = 1.1 and p(sub j)/p(sub o) = 1.55, the jet caused a 50% increase in base drag.

Jackson, H. Herbert↗

Simulator study of the effect of control-system time delays on the occurrence of pilot-induced oscillations and on pilot tracking performance with a space-shuttle-orbiter configuration

Using a six degree-of-freedom motion-base simulator, the effect of control-system time delays on the occurrence of pilot-induced oscillations (PIO's) on the vehicle handling qualities and on pilot tracking performance for a landing-approach configuration of the Space Shuttle orbiter was studied. A linearized math model was employed which represented a 300-knot orbiter with almost all time delays removed. Additional time delays were then inserted following the pilot's hand-controller signals. Only pitch and roll commands were used for vehicle control. The simulation employed an air to air tracking task as a means of emphasizing PIO tendencies. Two astronauts, two research pilots, and one simulation engineer served as test subjects. Results showed that PIO's occurred when the amount of added time delay approximated that existing for the orbiter configuration flown in the approach and landing tests. Increasing the amount of delay increased PIO occurrences and resulted in degraded tracking performance. Decreasing the amount of time delay eliminated the PIO's.

Riley, D. R.↗

Application of Satellite and Ground-based Data to Investigate the UV Radiative Effects of Australian Aerosols

An understanding of the effect of aerosols on biologically- and photochemically-active UV radiation reaching the Earth's surface is important for many ongoing climate, biophysical, and air pollution studies. In particular, estimates of the UV characteristics of the most common Australian aerosols will be valuable inputs to UV Index forecasts, air quality studies, and assessments of the impact of regional environmental changes. By analyzing climatological distributions of Australian aerosols we have identified sites where co-located ground-based UV-B and ozone measurements were available during episodes of relatively high aerosol activity. Since at least June 2003, surface UV global irradiance spectra (285-450 nm) have been measured routinely at Darwin and Alice Springs in Australia by the Australian Bureau of Meteorology (BoM). Using colocated sunphotometer measurements at Darwin and Alice Springs, we identified several episodes of relatively high aerosol activity. Aerosol air mass types were analyzed from sunphotometer-derived angstrom parameter, MODIS fire maps and MISR aerosol property retrievals. To assess aerosol effects we compared the measured UV irradiances for aerosol-loaded and clear-sky conditions with each other and with irradiances simulated using the libRadtran radiative transfer model for aerosol-free conditions. We found that for otherwise similar atmospheric conditions, smoke aerosols over Darwin reduced the surface UV irradiance by as much as 40-50% at 290-300 nm and 20-25% at 320-400 nm near active fires (aerosol optical depth, AOD, at 500 nm approximately equal to 0.6). Downwind of fires, the smoke aerosols over Darwin reduced the surface irradiance by 15-25% at 290-300 nm and approximately 10% at 320-350 nm (AOD at 500 nm approximately equal to 0.2). The effect of smoke increased with decrease of wavel strongest in the UV-B. The aerosol attenuation factors calculated for the selected cases suggest smoke over Darwin has an effect on surface 340-380 nm irradiances that is comparable to that produced by smoke over Sub-Saharan Africa. Dust activity was very low at Alice Springs during 2004, therefore we were not able to identify strong dust events to fully assess the UVeffect of dust. For the cases studied, smoke aerosols seem to produce a stronger reduction in surface UV irradiances than dust aerosols.

UV surface irradiances↗

Analysis of Linear Aerospike Plume Induced X-33 Base Heating Environment

Computational analysis is conducted to study the effect of an linear aerospike engine plume on the X-33 base-heating environment during ascent flight. To properly account for the freestream-body interaction and to allow for potential plume-induced flow-separation, the thermo-flowfield of the entire vehicle at several trajectory points is computed. A sequential grid-refinement technique is used in conjunction with solution-adaptive, patched, and embedded grid methods to limit the model to a manageable size. The computational methodology is based on a three-dimensional, finite-difference, viscous flow, chemically reacting, pressure-based computational fluid dynamics formulation, and a three-dimensional, finite-volume, spectral-line based weighted-sum-of-gray-gases absorption, computational radiation heat transfer formulation. The computed forebody and afterbody surface pressure coefficients and base pressure characteristic curves are compared with those of a cold-flow test. The predicted convective and radiative base-heat fluxes, the effect of base-bleed, and the potential of plume-induced flow separation are presented.

Wang, Ten-See↗

Concepts in health evaluation of commercial and industrial chemicals

A method is described for determining no toxic effect exposure levels based on short-term testing of industrial and commercial chemicals. Procedures for monitoring all organs and body functions for the presence or absence of toxicological effects are demonstrated using various laboratory animals.

Mcnamara, B. P.↗

Evaluating Process Effectiveness to Reduce Risk

It is well documented that government agencies do not have the same incentive as the private sector to focus on process effectiveness and continual improvement of those processes. It is also well documented whenever government agencies fail to deliver efficient, effective, consistent, and fair services to the citizens. In spite of the various "reinventing government" and "effectiveness initiatives" of the past decades, and in spite of the efforts on the part of many agencies to improve, government in general still lags behind industry in creating a culture of effective processes and systems. While the tragic events that unfolded recently in Flint, Michigan, teach us that running government "like a business" does not always take the needs of the citizenry into account, there are many lessons and techniques from the private sector that government agencies can use to improve. The incentive to improve, while mandated by various administrations1, needs to come from within the workforce, in order to effectively take root. The best, most effective incentive is to reduce, control or eliminate risk. Government agencies face some of the same risks as the private sector, while some are unique. While ISO 310002 has been around since 2009, risk has taken on increased visibility within the private sector with the advent of the emphasis on risk-based thinking in ISO 9001:20153. The relationship between risk-based thinking and effective processes is simple and direct. Those processes that are well thought out and standardized (i.e. Plan-Do-Check-Act), will have taken into account the applicable policy, statutory, regulatory, safety, quality and technical parameters, which may not occur to someone performing the process with minimal experience or training; and thus protect the employees, the public and the agency from statutory and regulatory violations; delay in providing services; non-delivery of services; harm to public or employee safety and health; cost overruns; breaches in security; loss of confidence in government; failure of publicly funded projects; damage to the environment; ethics violations, and the list goes on; with local, national and even international consequences. The Plan-Do-Check-Act process, also known as the "process approach" can be used at any time to establish and standardize a process, and it can also be used to check periodically for "process creep" (i.e., informal, unauthorized changes that have occurred over time), any necessary updates and improvements. While ISO 9001 compliance is not mandated for all government agencies, if interpreted correctly, it can be useful in establishing a framework and implementing effective management systems and processes.4 Another method that can be used to evaluate effectiveness is the scorecard definitions in Mallory's Process Management Standard5 as a basis for evaluating work on the process level on effective, and continuously improved and improving processes. With processes on the lower end of the scale, agencies are vulnerable to a great many risks, with employees and managers making up many of the rules as they go, leading to the above listed negative results. Without clear guidance for nominal operations, off-nominal situations can, and do, increase the likelihood of chaos. In an increasingly technical environment, with inter-agency communication and collaboration becoming the norm, agencies need to come to grips with the fact that processes can become rapidly outdated, and that the technical community should take on an increased role in the maturation of the agency's processes. Industry has long known that effective processes are also efficient, and process improvement methods such as Kaizen, Lean, Six Sigma, 5S, and mistake proofing lead to increased productivity, improved quality, and decreased cost. Again, government agencies have different concerns, but inefficiencies and mistakes can have dire and wide reaching consequences for the public that they serve. While no one goes to work planning to cause harm, it is up to agencies to establish upper level systems, which make establishment and compliance with processes possible. Again, Mallory provides us with a Systems Management Standard6, similar to the Process Management Standard, with a scale of 0-5 for systems effectiveness and maturity. Deming determined that "eighty-five percent of the reasons for failure are deficiencies in the systems and process rather than the employee. The role of management is to change the process rather than badgering individual employees to do better." 7 It is not just the working level employees who need effective processes, but the mid-and upper level managers as well. A disciplined management culture sets the tone for the employees, aids both routine and off-nominal decision-making, and incorporates risk -based thinking into the systems and processes as a matter of normal activity. Figure 1, illustrates the relationship between ineffective and effective processes and risk, through the use of the "stoplight" colors that are commonly used to show serious situations (red), situations which may be improving or deteriorating depending on trends (yellow), and situations that are under control and continuously improved (green).

Shepherd, Christena C.↗

First-principles predictions of temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift

Recently, first-principles calculations based on density functional theory have been widely used to predict the temperature-dependent infrared spectrum of polar materials, but the calculations are usually limited to the harmonic frequency (0 K) and three-phonon scattering damping for the zone-center infrared-active optical phonon modes, and fail to predict the high-temperature infrared optical properties of materials such as sapphire (α–Al 2 O 3 ), GaAs, TiO 2 , etc., due to the neglect of high-order phonon scattering damping and phonon frequency shift. In this work, we implemented first-principles calculations to predict the temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift. The temperature-dependent phonon damping by including three- and four-phonon scattering as well as the phonon frequency shift by including cubic and quartic anharmonicity and the thermal expansion effect are calculated based on anharmonic lattice dynamics method. The infrared dielectric function of α–Al 2 O 3 is parameterized, and then the temperature-dependent infrared optical reflectance is determined. We find that our predictions agree better with the experimental data than the previous density functional theory-based methods. Lastly, this work will help to effectively predict the thermal radiative properties of polar materials at elevated temperature, which is generally difficult to measure, and will enable predictive design of new materials for radiative applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Physically Based Modeling of PEMFC Cathode Catalyst Layers: Effective Microstructure and Ionomer Structure–Property Relationship Impacts

Abstract This work presents a pseudo-two-dimensional proton exchange membrane fuel cell (PEMFC) model incorporating Nafion ionomer structure–property relationships in the cathode catalyst layer (CL) to capture and explain losses at low Pt loading. Structural data from neutron reflectometry and thin film Nafion conductivity measurements predict variations in the oxygen diffusion coefficient and ionic conductivity with changing CL ionomer thickness and Pt loading. By including these structure–property relationships, predicted polarization curves agree closely with previously published experimental data from cells with Pt loadings between 0.025 and 0.2 mg/cm2. Results demonstrate that structure–property relationships based on physically measurable ionomer and CL properties provide a feasible interpretation of PEMFC CL phenomena for a range of Pt loadings and help explain previously unaccounted-for losses at low Pt. Results also show that simulations must account for surface species coverage variations in order to properly capture the kinetic losses. Finally, results suggest that an increase in ionomer thickness surrounding the C/Pt surfaces may lead to improved cell performance due to improved ionic conductivity.

Electrochemistry↗