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

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At least 973 records · Page 54

Development and Future of the Ten Simple Rules for Credible Practice of Models and Simulations in HealthCare

In this session, we will review the development and implementation history of the Ten Simple Rules (TSR) for credible practice in models and simulations that support healthcare. Our focus will be initially on the need and background for the Committee on Credible Practice of Models and Simulations in Healthcare (CPMS) as well as the TSR development process and implementation. This will flow into a demonstration of how the TSR has evolved as means of communicating and understanding the model development process, likely successful application and where the model could fail. We will end this presentation with a discussion on future development avenue, the CPMS efforts to develop a comprehensive rubric supporting current TSR implementation, and efforts to support further adoption of the TSR. The audience will be encouraged to comment on the current state of the TSR, share their TSR application experiences, and provide their insights on future development.

model↗

Clouds Around the World: How a Simple Citizen Science Data Challenge Became a Worldwide Success

Citizen science is often recognized for its potential to directly engage the public in science, and is uniquely positioned to support and extend participants’ learning in science. In March 2018, the Global Learning and Observations to Benefit the Environment (GLOBE) Program, NASA’s largest and longest-lasting citizen science program about Earth, organized a month-long event that asked people around the world to contribute daily cloud observations and photographs of the sky (15 March–15 April 2018). What was considered a simple engagement activity turned into an unprecedented worldwide event that garnered major public interest and media recognition, collecting over 55,000 observations from 99 different countries, in more than 15,000 locations, on every continent including Antarctica. The event was called the “Spring Cloud Challenge” and was created to 1) engage the general public in the scientific process and promote the use of the GLOBE Observer app, 2) collect ground-based visual observations of varying cloud types during boreal spring, and 3) increase the number and locations of ground-based visual cloud observations collocated with cloud-observing satellites. The event resulted in roughly 3 times more observations than during the historic and highly publicized 2017 North American total solar eclipse. The dataset also includes observations over the Drake Passage in Antarctica and reports from intense Saharan dust events. This article describes how the challenge was crafted, outreach to volunteer scientists around the world, details of the data collected, and impact of the data.

GLOBE↗

Simple rANDom wALk simulation

SANDAL is a particle-mesh simulation mini-app. The simple simulated physics propagates a set of particles in a constant, 2D wind field with Gaussian turbulence. SANDAL demonstrates the feasibility of formulating a computational physics problem using an alternative, modern design. Specifically, it is implemented using relational tables and queries, rather than array-based data model. It also is implemented with functional language design and cloud deployment, Scala and Apache Spark, rather than Fortran and MPI+X.

Lo, Li-Ta↗

A SIMPLE METHOD FOR MEASURING THE ELECTRON-BEAM MAGNETIZATION

There are a number of projects that require magnetized beams, such as electron cooling or aiding in “flat” beam transforms. Here we explore a simple technique to characterize the magnetization, observed through the angular momentum of magnetized beams. These beams are produced through photoemission. The generating drive laser first passes through microlens arrays (fly-eye light condensers) to form a transversely modulated pulse incident on the photocathode surface [1]. The resulting charge distribution is then accelerated from the photocathode. We explore the evolution of the pattern via the relative shearing of the beamlets, providing information about the angular momentum. This method is illustrated through numerical simulations and preliminary measurements carried out at the Argonne Wakefield Accelerator (AWA) facility are presented.

43 PARTICLE ACCELERATORS↗

Validation of a Simple RELAP5-3D Point Kinetics Model of the Full-Slotted MARCH Core in TREAT

A simple RELAP5-3D point kinetics model of the TREAT facility was validated using data from three unshaped transients in the MARCH full-slotted core. These transients were initiated with near step insertions of reactivity of about 1.7%, 2.9%, and 3.9%, respectively. The RELAP5-3D calculations were in reasonable agreement with the measured results. The calculated energy depositions were within the scatter of the data or were slightly conservative for all three transients.

97 MATHEMATICS AND COMPUTING↗

A Simple Hybrid Electric Vehicle Fuel Consumption Model for Transportation Applications(DOI: 10.5772/intechopen.89055)

This study presents a simple power-based microscopic hybrid electric vehicle (HEV) fuel consumption model for use in microscopic traffic software and various connected and automated vehicle (CAV) applications, including eco-routing and eco-drive systems. While numerous HEV energy consumption models have been developed, these models are complex and require vehicle engine data deeming them difficult to implement and making them nontransferable. The proposed model was developed using empirical data for a 2010 Toyota Prius—the most popular HEV. The model was then extended to other HEVs thus extending the domain of application of the model. The proposed fuel consumption model estimates the instantaneous fuel consumption rates of an HEV using instantaneous vehicle operational input variables, including the vehicle’s speed, acceleration, and roadway grade, which can be acquired from global positioning system (GPS) equipment or other sensors. The model estimates vehicle fuel consumption rates consistent with empirical data producing an average error of 2.1% for the Toyota Prius and up to 4% for other HEVs demonstrating the applicability and transferability of the model to various HEVs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A simple variable coupler for the cryogenic test of SRF cavities

The cryogenic rf tests of SRF cavities in vertical cryostats is typically carried out using fixed-length antennae to couple rf power into the cavity and to probe the energy stored into the cavity. Although variable couplers have been designed, built and used in the past, they are often a complex, costly, not very reliable auxiliary component to the cavity test. In this contribution we present the design and implementation of a simple variable rf antenna which has about 50 mm travel, allowing to obtain about four orders of magnitude variation in Qext -value. The motion of the antenna is driven by a motorized linear feedthrough outside of the cryostat. The antenna can easily be mounted on the most common type of cavity flanges.

Ciovati, G.↗

Simple chemical method for the separation of rare earth metals

A method is provided for separating mixtures of different rare earth metals using a ligand having a size-sensitive molecular aperture. The present invention meets the needs in the field by providing method of separating and purifying rare earth metals. The object of this invention is to separate and purify rare earth metals, e.g., the more valuable Dy away from Nd, in mixtures containing such metals using a simple chemical process without the need for countercurrent liquid-liquid separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simple Building Calculator

Whole building energy modeling is a powerful tool for analyzing energy use in buildings. For large buildings benefits of modeling services can easily be quantified due to the short payback period of the implemented measures. For small buildings, the upfront costs of developing robust energy models often deter building owners from investing in energy modeling services. To address this shortcoming, a ”Simple Building Calculator” (SBC) was developed. SBC uses pre-simulated results of a range of common measures over a wide range of efficiency inputs. It combines whole building simulation results with statistical modeling techniques to predict energy impact of measures very quickly. In this paper we present the modeling methodology used to develop the data supporting SBC.

Building Energy Simulation, commercial building, E↗

Accurate and Simple Parametrization to Estimate Solar UV from GHI and Other Accessible Variables

This study is part of a broader program that aims to generate reliable ultraviolet (UV) data for several applications. This work presents a simple and fast parametrization to estimate UV solar irradiation at the ground level from global horizontal irradiance (GHI) information. The work focuses on UVB (280-315 nm) and erythemic UV (UVE) irradiance weighted by the average skin response.

GHI↗

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↗

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↗