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At least 1,117 records · Page 62

Degradation of Simulated HLW Glass and International Simple Glass immersed partially in water - 16474

Water degradation of glass waste forms destined for geological disposal has been studied in a variety of conditions including of bulk glass immersed completely in static or dynamic water. During the course of repository life, the canisters may be only partially immersed in the initial stages of contact with water. Under these conditions glass degradation occurs on the glass immersed in water and on the glass above water by vapor condensation. In this work degradation of International Simple Glass (ISG) and Simulated High Level Waste Glass (HSG) is examined by immersing partially in distilled water during the course of test. Under static experimental conditions at 90 deg. C, the condensation of vapor on the ISG glass surface formed Ca-rich precipitates and pits after degrading for 1 and 3 weeks respectively. Whereas HSG precipitated Ca-rich phases predominantly after 1 week and no pits were found on the surface. When compared, HSG was found to change surface chemistry faster than ISG. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Evolution of Chemical Waste Treatment in the Nuclear Industry Simple Solutions for Complex Problems - 16694

The U.S. nuclear waste treatment industry was born in the 1980s and early 1990s with the end of the Cold War, the peak of commercial nuclear power, and after implementation of federal regulations that drove new disposal requirements for radioactive waste generators. New regulations resulted in soaring costs for radioactive waste disposal, and thus an industry was born that focused on recycling, volume reduction, and waste form improvement. New treatment facilities and technologies were started that primarily dealt with low-level radioactive wastes; however, there was little to no treatment capacity for wastes commingled with hazardous chemicals. Large volumes of 'mixed wastes', of which many became known as 'orphan wastes', were being stored on U.S. Department of Energy (DOE) sites with no path for disposal and thus posed a risk to workers, the public, and the environment. Perma-fix Environmental Services, Inc. (Perma-Fix), which started in the hazardous waste industry in 1990 and had developed facilities and technologies to treat hazardous wastes, evolved in the late 90's to meet this mixed waste market opportunity. By adapting our technologies and collaborating with waste generators to understand their needs, we successfully developed treatment and disposition solutions for some of the most challenging mixed wastes in the U.S. By establishing a pathway for treatment and disposal of orphan wastes, Perma-Fix played an important role in the safe treatment and disposition of orphan wastes, which facilitated closure of DOE sites such as Rocky Flats, Mound, and Fernald. We found that understanding chemistry and having experience in managing the hazardous constituents of mixed wastes allowed us to apply solutions that were not overly complex and expensive. Further, by adapting proven hazardous waste treatment solutions to wastes commingled with contaminants such as polychlorinated biphenyls (PCBs), mercury, and organics we were able to safely manage even more problematic mixed wastes. During the 1980's, commercial low-level radioactive waste treatment and disposal solutions were being developed. At the same time, the federal government began dealing with increasing stakeholder demands for permanent solutions of more complex radioactive wastes such as high-level waste (HLW) and transuranic (TRU) wastes. HLW and TRU waste disposal became a contentious political issue between the federal government, regulatory agencies, and the public. As a result, DOE was mandated to develop treatment and disposal methodologies to address these wastes. DOE's Waste Isolation Pilot Plant (WIPP) facility solved most issues with disposition of TRU wastes; however, for HLW (for example tank wastes at Hanford, Savannah River, and Idaho) the complexity of the wastes and the fact that government entities were developing political solutions for waste treatment resulted in a variety of complex and expensive solutions. Decades later we still do not have a permanent solution for HLW. Whether some simple commercial approaches are possible, what regulatory changes should occur, and what the implications may be if we do not change our current path, will be discussed. After two decades, we see the low-level nuclear waste industry maturing and replicating the path of the hazardous waste industry. When new hazardous waste federal regulations were enacted in the 1970's and 1980's, the hazardous waste industry began to boom with new company start-ups and construction of numerous treatment and disposal facilities. Initially, this was a good business to be in, managing dangerous wastes in an environmentally safe and responsible manner, and it was profitable. However, over-capacity and fierce competition drove down pricing, and companies failed. This ultimately led to a major consolidation within the hazardous waste industry. Similarly and more recently in the nuclear industry, over-capacity and competition has driven down profitability, companies have failed, and there is a major consolidation occurring within sectors of the industry. For consolidation to be successful and healthy for either industry, a leader must emerge to set the direction for the others and establish a sustainable path that is acceptable for waste generators, stakeholders, and investors. This was the case for the hazardous waste industry. This paper will examine the parallels between the hazardous and nuclear waste industries as they have matured and evolved, and what discuss the long term implications of consolidation within the nuclear industry. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

From Simple Labels to Time-Use Integrations: Supporting the Spectrum of Qualitative Travel Behavior Data

In transportation research, applications of travel behavior data collection are context-specific and require different types of qualitative inputs. These inputs can be viewed as spanning a spectrum of user burden and data quality, from simple trip labels to complex time-use surveys. However, each currently active smartphone-based travel diary platform appears to only support one type of qualitative input, and the effort required for customization is unclear. In this paper, we characterize the spectrum by defining four canonical use cases: (i) trip labels, (ii) trip questionnaire, (iii) counterfactual trips, and (iv) time-use surveys. We then outline a mechanism for supporting configurable user inputs on the same underlying smartphone-based sensing mechanism and demonstrate that it can support all the use cases without any code changes. We further demonstrate that the flexible data model that underpins this mechanism can enable real-time monitoring and analysis. Finally, we evaluate per-user data collection and engagement metrics for large-scale deployments of three canonical use cases, spanning 10 programs, 435 users, and 251,041 trips, and a maximum duration of 800 days. Future efforts may support additional use cases through an expanded configuration and provide greater insight into user engagement. We hope that these insights enable the research community to look at qualitative inputs through a new lens and experiment with novel use cases to fill in the spectrum.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗

Numerical simulation on pressure propagation in fuel-coolant interaction with MCBA-simple algorithm

A computer code named METRIC is developed to simulate multiphase interactions of molten fuel and coolant at pressure propagation stage, also to examine the model's ability to predict the physical process. The fluids modeled in current code are liquid coolant, vapor, non-condensable gas, molten drop and molten fragment. Conservation equations are solved by MCBA-SIMPLE method, which comes from the mass conservation-based algorithms (MCBA) group. The numerical methods and constitutive models in the code are described in this paper. Pressure wave propagation in two-phase medium is simulated to validate current two-phase model. Computational simulation of KROTOS 21 is carried out. Parameter sensitivity study is performed. Effects of void fraction, fragment size, and fragmentation model are discussed. Results of the simulations are physically reasonable and close to the experimental observations. It is suggested that the physical models still need improved to avoid the uncertainty of empirical parameters and user effect. (authors)

42 ENGINEERING↗

The Improved Simple Corner Balance Method and Efforts to Enhance its Computational Performance

The diamond difference (DD) spatial discretization has long been a work horse of the neutron transport community. For nearly as long as DD has been used in neutron transport, it has been observed that DD produces undamped, non-physical angular fluxes in spatially under resolved problems and can fail in the thick diffusion limit. A long list of alternative spatial discretizations, all with better physics properties: accuracy, robustness, and/or preservation of the thick diffusion limit, have been proposed as alternatives to DD. Unfortunately, these alternative spatial discretizations also require significantly more floating point operations (FLOPs) per unknown compared to DD. Historically, neutron transport problems of interest have been able to be resolved sufficiently that DD is accurate enough and FLOPs have been the computational performance bottleneck controlling time to solution. Thus, in practice DD has been and remains a preferred spatial discretization for neutron transport simulations. Trends in computing architecture are leading to a new paradigm where data movement, not FLOPs will control time to solution. This presents an opportunity to improve neutron transport physics by reconsidering more FLOP intensive spatial discretization than DD without incurring a time to solution penalty. In this work, we consider the improved simple corner balance (ISCB) spatial discretization, a unique alternative to DD that has the same memory footprint as DD, and detail efforts to improve its computational performance. The ISCB spatial discretization is a more FLOP intensive spatial discretization than DD with the same memory footprint as DD. Though designed to maximize FLOP intensity, third party libraries such as LAPACK are not tuned for the unique, frequent, small linear algebra needs of neutron transport problems. While hand coding a sparse Gauss elimination is likely to be faster than a dense matrix solve (CM vs. HGE), were LAPACK suitable for small linear algebra problems, we would not have seen a performance increase with decreased numbers of LAPACK calls for the Schur complement solve (SC4 vs. SC1). Significant effort has reduced the relative compute time of ISCB to DD, but on current computer architectures DD is still faster than ISCB. Future work comparing the overall efficiency of ISCB to DD may reveal that while ISCB is slower than DD on current computers, ISCB is more accurate than DD by a factor greater than the compute time slowdown. As new computer architectures become available, we will test our hypothesis that neutron transport simulations will be bandwidth limited, ideally rendering the additional FLOPs required by ISCB to be 'free' [in terms of time to solution]. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comparison of ADVANTG Simulations to Simple Shielding Measurements - Paper 36

Monte Carlo (MC) radiation transport simulations, like those performed using Monte Carlo N-Particle (MCNP), can be highly accurate but require time to reduce the statistical uncertainties in the calculated detector response(s). Many different 'variance reduction' techniques devised over the years increase the efficiency of MC calculations, but these methods can be more art than science. Many of these methods are problem specific or require careful tuning of parameters for good performance. One of the best variance reduction methods, in terms of both reliable performance increases and ease of use, is the use of weight windows. Weight windows are derived from an importance map in space and energy that allows the transport code to focus more simulation time on particles that have a higher likelihood of being important to the final detector response. Less time is spent simulating particles that have little chance of making a contribution to the detector response. MCNP already includes the abilities to generate and use weight windows. Unfortunately, generating weight windows can take a very long time, perhaps longer than the original problem. Oak Ridge National Laboratory has led the development of hybrid methods using a discrete ordinates adjoint calculation to quickly develop an importance map (weight windows) for use in a Monte Carlo code. The Consistent Adjoint Driven Importance Sampling (CADIS) method uses an adjoint calculation to develop both an importance map and a biased source distribution that work together. This method is reasonably automatic, is easy to use, and has been implemented in the Automated Variance reduction Generator (ADVANTG) package that works with MCNP5. ADVANTG reads an MCNP input file and a small amount of extra user information and then runs an adjoint deterministic calculation using Denovo. The importance map and biased source distribution derived from the CADIS method can then be incorporated back into the original MCNP input file to enhance the figure-of-merit (FOM) of the calculation. The FOM is a measure of the efficiency of the calculation using the amount of run time and corresponding level of statistical uncertainty in the detector result. ADVANTG-enhanced MCNP input files have been shown to increase the FOM of many types of problems, obtaining the same level of statistical uncertainty in a shorter time compared to standard MCNP. ADVANTG can also generate variance reduction parameters (importance map and biased source) using the Forward-Weighted CADIS (FW-CADIS) method for optimizing mesh tallies. The CADIS method creates variance reduction parameters that optimize a tally's total quantity (flux, dose rate, interaction rate, etc.) and will not generally increase performance for all parts of a segmented tally. To optimize a segmented tally, the FW-CADIS method uses two discrete ordinates calculations to make variance reduction parameters that help compute a segmented tally with uniform relative uncertainties in each bin. This report will demonstrate that using ADVANTG for neutron and photon radiation shielding problems will (1) preserve the standard MCNP results and (2) obtain those results either with less statistical uncertainty or in shorter times than the standard MCNP calculation. The four demonstration problems in this report are based on simple neutron or photon transmission measurements through different materials. All of the problems here used the CADIS method and still saw improvement across the flux tallies segmented by particle energy. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

Back-and-forth approximation as a simple neutron transport model - 14607

The back-and-forth approximation is a very simple neutron transport model that helps get a number of exact solutions which qualitatively describe the actual characteristics of planar, cylindrical and spherical systems with fissile material. The model allows its absolutely accurate implementation in Monte Carlo codes and can be used to test the algorithms which do not treat geometry or interaction data. (author)

42 ENGINEERING↗

DFT Calculation of Thermal Expansion within Debye-Grüneisen Framework Made Simple and Accurate

The density functional theory (DFT) based Debye-Grüneisen approach is a computational method used to calculate the thermodynamic properties of materials by relating the volume dependence of the Debye frequency to the Grüneisen parameter. In this study, we propose a new model to describe the volume dependence of the Grüneisen parameter. This model offers a simple yet accurate approach to predict the thermal expansion of materials within the framework of the Debye-Grüneisen theory. Specifically, for pure elements or species used as a reference system, we calibrated the parameters to reproduce the experimental coefficient of thermal expansion, heat capacity, and entropy. For compounds with arbitrary compositions, the parameters are determined by taking the arithmetic or geometric average of those obtained from the pure elements or species based on their composition. We then compared the model prediction with experiments. This allowed for a comprehensive characterization of the thermal expansion behavior of various materials.

Wang, Yi↗

Simple Autoignition Model for the Derived Cetane Number of Oxygenated Compounds and Fuel Blends

A simple four-step autoignition model was used to derive an expression for the ignition delay and derived cetane number (DCN) measured by ignition quality testers (IQT) for oxygenated compounds and blends as a function of each compound’s global initiation and net chain branching rate constants. Expressions for these values were determined assuming they could be related to the functional groups present in a given compound. Measurements for 124 compounds and 94 binary and ternary blends, gathered from the literature and performed at UW-Madison, were used to obtain the explicit dependence of the measured ignition delay on each functional group. The new model was able to successfully describe the ignition behavior of both the compounds and blends, with an average DCN error of 5.0 (22%) and 3.5 (15%), respectively. Additionally, the blend model could naturally be modified into a mixing rule by incorporating existing IQT ignition delay data for each compound. Use of the mixing rule was found to offer improvements over the full prediction, with an average DCN error of 3.2 (14%).

09 BIOMASS FUELS↗

Simple, Tough, and Effective Porous Coating for Anti-Corrosion Application

This presentation discusses how a change in polymeric binder, the material used for assembling hydrophobic nanoparticles into a porous structure, led to better mechanical toughness and a simpler fabrication process based on 100% commercially available components. Most importantly, the optimized porous coating can reduce the corrosion rate by two orders of magnitude (0.003 mm/year) due to higher diffusion barrier based on a more resistant tortuous diffusion path. The combination of simplicity, toughness, effectiveness, and scalability greatly enhanced the prospect of commercializing this technology as an internal anti-corrosion coating for natural gas pipelines.

internal corrosion↗

Ku-Band Traveling Wave Slot Array Using Simple Scanning Control

This paper introduces a feeding concept aimed at simplifying the backend (phase shifters) of traditional phased arrays. As an alternative to traditional phased arrays, we employ a traveling wave array (TWA) using a single feedline whose propagation constant is controlled via a single, small mechanical movement without a need for phase shifters to enable scanning. Specifically, a dielectric plunger is positioned within a parallel plate waveguide (PPW) transmission line (TL) that feeds the TWA. By adjusting the position of the dielectric plunger within the PPW feeding the TWA, beam steering is achieved. A 20 element array is designed at 13GHz shown to give stable realized gain across the angular range of -25 deg. less than or equal to theta less than or equal to 25 deg. A proof of concept array is fabricated and measured to demonstrate and validate the concept's operation.

Traveling wave slot Array↗

Statistical tests of simple earthquake cycle models: Testing Earthquake Cycle Models

A central goal of observing and modeling the earthquake cycle is to forecast when a particular fault may generate an earthquake: a fault late in its earthquake cycle may be more likely to generate an earthquake than a fault early in its earthquake cycle. Models that can explain geodetic observations throughout the entire earthquake cycle may be required to gain a more complete understanding of relevant physics and phenomenology. Previous efforts to develop unified earthquake models for strike-slip faults have largely focused on explaining both preseismic and postseismic geodetic observations available across a few faults in California, Turkey, and Tibet. An alternative approach leverages the global distribution of geodetic and geologic slip rate estimates on strike-slip faults worldwide. Here we use the Kolmogorov-Smirnov test for similarity of distributions to infer, in a statistically rigorous manner, viscoelastic earthquake cycle models that are inconsistent with 15 sets of observations across major strike-slip faults. We reject a large subset of two-layer models incorporating Burgers rheologies at a significance level of α = 0.05 (those with long-term Maxwell viscosities η M <~ 4.0 × 10 19 Pa s and η M >~ 4.6 × 10 20 Pa s) but cannot reject models on the basis of transient Kelvin viscosity η K . Finally, we examine the implications of these results for the predicted earthquake cycle timing of the 15 faults considered and compare these predictions to the geologic and historical record.

58 GEOSCIENCES↗

Effect of Unsaturated Flow Modes on Partitioning Dynamics of Gravity-Driven Flow at a Simple Fracture Intersection: Laboratory Study and Three-Dimensional Smoothed Particle Hydrodynamics Simulations

In this work, we study unsaturated gravity-driven free-surface flows on a synthetic surface intersected by a horizontal fracture and the importance of flow modes (droplet; rivulet) on the partitioning behavior at the fracture intersection. We present laboratory experiments, three-dimensional smoothed particle hydrodynamics (SPH) simulations using a heavily parallelized code, and an analytical solution. The flow-rate-dependent mode switching from droplets to rivulets is reproduced by the SPH model, and the transition ranges agree with the laboratory experiments. We show that flow modes heavily influence the bypass behavior. Flows favoring the formation of droplets exhibit a much stronger bypass capacity compared to rivulet flows, where nearly the whole fluid mass is initially stored within the horizontal fracture. This behavior is demonstrated for a multi-inlet laboratory setup where the inlet- specific flow rate is chosen so that either a droplet or rivulet flow persists. The effect of fluid buffering within the horizontal fracture is presented in terms of dimensionless fracture in- flow so that characteristic scaling regimes can be recovered. For both cases (rivulets and droplets), the flow within the horizontal fracture transitions into a Washburn regime until a critical threshold is reached and the bypass efficiency increases. For rivulet flows, the initial filling of the horizontal fracture is described by classical plug flow. Meanwhile, for droplet flows, a size-dependent partitioning behavior is observed, and the filling of the fracture takes longer. For the case of rivulet flow, we provide an analytical solution that demonstrates the existence of classical Washburn flow within the horizontal fracture.

unsaturated flow, fractured media, smoothed partic↗

Effects of a Simple Convective Organization Scheme in a Two‐Plume GCM

Abstract A set of experiments is described with the Community Atmosphere Model (CAM5) using a two‐plume convection scheme. To represent the differences of organized convection from General Circulation Model (GCM) assumptions of isolated plumes in uniform environments, a dimensionless prognostic “organization” tracer Ω is invoked to lend the second plume a buoyancy advantage relative to the first, as described in Mapes and Neale (2016). When low‐entrainment plumes are unconditionally available (Ω = 1 everywhere), deep convection occurs too easily, with consequences including premature (upstream) rainfall in inflows to the deep tropics, excessive convective versus large‐scale rainfall, poor relationships to the vapor field, stable bias in the mean state, weak and poor tropical variability, and midday peak in diurnal rainfall over land. Some of these are shown to also be characteristic of CAM4 with its separated deep and shallow convection schemes. When low‐entrainment plumes are forbidden by setting Ω = 0 everywhere, some opposite problems can be discerned. In between those extreme cases, an interactive Ω driven by the evaporation of precipitation acts as a local positive feedback loop, concentrating deep convection: In areas of little recent rain, only highly entraining plumes can occur, unfavorable for rain production. This tunable mechanism steadily increases precipitation variance in both space and time, as illustrated here with maps, time‐longitude series, and spectra, while avoiding some mean state biases as illustrated with process‐oriented diagnostics such as conserved variable profiles and vapor‐binned precipitation curves.

54 ENVIRONMENTAL SCIENCES↗

A Simple Route for Open Fluidic Devices with Particle Walls

Open fluidics, allowing liquid in a flow channel to interact with the external environment, is a revolutionary concept. However, fabricating a highly stable open fluidic device of arbitrary complexity, while maintaining reconfigurability, is still a challenge. This is achieved by the use of a patterned substrate and liquids that are covered with functional, readily available hydrophobic particles, providing great flexibility in the construction and use of open fluidic structures. Decorated with a coating of modified carbon nanotubes (CNTs) to encapsulate the fluids, the study capitalizes on the photothermal characteristics of CNTs to fabricate a device to probe the effects of temperature on tumor chemotherapy. The strategy substantially increases the availability and potential use of open fluidic devices.

Liu, Heng↗

Rapid Aqueous Spray Fabrication of Robust NiO x : A Simple and Scalable Platform for Efficient Perovskite Solar Cells

Organometal halide perovskites have powerful intrinsic potential to drive next-generation solar technology, but their insufficient thermomechanical reliability and unproven large-area manufacturability limit competition with incumbent silicon photovoltaics. This work addresses these limitations by leveraging large-area processing and robust inorganic hole transport layers (HTLs). Inverted perovskite solar cells utilizing NiO x HTLs deposited by rapid aqueous spray-coating that outperform spin-coated NiO x and lead to a 5× improvement in the fracture energy (Gc), a primary metric of thermomechanical stability, are presented. Additionally, the morphology, chemical composition, and optoelectronic properties of the NiO x films are characterized to understand and optimize compatibility with an archetypal double cation perovskite, Cs .17 FA .83 Pb(Br .17 I .83 ) 3 . Perovskite solar cells with sprayed NiO x show higher photovoltaic performance, exhibiting up to 82% fill factor and 17.7% power conversion efficiency (PCE)—the highest PCE reported for inverted cell with scalable charge transport layers—as well as excellent stability under full illumination and after 4000 h aging in inert conditions at room temperature. By utilizing open-air techniques and aqueous precursors, this combination of robust materials and low-cost processing provides a platform for scaling perovskite modules with long-term reliability.

36 MATERIALS SCIENCE↗

The φ-relation and a simple method to predict how many data points are needed for relevant steady-state detection

Steady–state detection is of vital importance for experiments and simulations in chemical engineering, as well as also other fields of science, engineering, and finance—particularly when the full timescale of interest cannot be measured or simulated. We present a breakthrough for estimating the number of data points required before successful steady–state detection is feasible. Using an initial window of data, the method enables predicting the prerequisites for steady state detection (ppSSD), given as a number of data points. The method is shown to be accurate for data with realistic distributions (uniform, normal, and sine–wave), and data from actual kinetic Monte Carlo simulations. In conclusion, users need only to use the algebraic equations derived and provided in this work to estimate the required number of data points for relevant steady–state detection.

42 ENGINEERING↗