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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 487 records · Page 27

Modeling of aqueous species interaction energies prior to nucleation in cement-based gel systems

Arguably the most ubiquitous construction material in modern civilization, concrete is enabling the development of megacities around the globe together with increasing living standards in developing nations. However, the exact formation mechanisms of the strength-giving calcium-rich gels remain a topic of debate. Using density functional modeling, we simulate the fundamental solution-based building blocks of cement hydrates (calcium ions and silicate and aluminate monomers) and their propensity to form pair-wise complexes with bonding environments characteristic of those found in calcium-silicate-hydrate, calcium-alumino-silicate-hydrate and sodium-containing calcium-alumino-silicate-hydrate gels, as assessed from Gibbs free energies of chemical reactions. By accurately simulating the high pH pore solution chemistry in Portland cements and related systems, along with discrete solvation of the species, we hypothesize potential early age formation routes of the gels and discuss limitations and future work associated with this approach.

36 MATERIALS SCIENCE↗

CCN1 accelerates re-epithelialization by promoting keratinocyte migration and proliferation during cutaneous wound healing

Highlights: • Re-epithelialization is the restoration of skin integrity following injury. • CCN family member 1 (CCN1) is upregulated in the early stages following injury. • CCN1 promotes human primary keratinocyte migration and proliferation. • Topical CCN1 application stimulates re-epithelialization in mouse burn models. • CCN1 is more potent than bFGF in initiating re-epithelialization. Re-epithelialization is an essential part of wound healing and has a prominent influence on the prognosis. CCN family member 1 (CCN1 or Cysteine-rich 61, CYR61), a matricellular protein, has a potential role in the wound healing process. However, its role in re-epithelialization remains unclear. The aim of this study was to determine the expression of CCN1 in the epidermis and its effect on keratinocytes during re-epithelialization. CCN1 expression in the wounded skin was analyzed using microarray data from GEO database and detected by immunofluorescence. The results showed upregulated CCN1 during the early stages of wound healing. Human primary keratinocytes were treated with recombinant human CCN1. The results showed that CCN1 promoted keratinocyte migration and proliferation. Moreover, a full-thickness mouse skin wound model and a superficial second-degree burn mouse model treated intracutaneously with CCN1 were used for in vivo studies. Topical treatment with CCN1 protein accelerated wound closure and re-epithelialization. Additionally, longer newly-formed epithelium tongue and elevated expression of PCNA and Ki67 were detected in the CCN1-treated group 4 days post-burn. These results indicate that CCN1 accelerates re-epithelialization by promoting keratinocyte migration and proliferation, and may serve as a novel target to promote re-epithelialization.

60 APPLIED LIFE SCIENCES↗

Braided Carbon Fiber Rope Flow Characteristics

I am submitting the following technical subject for consideration as a thesis topic for the master degree: The reusable solid rocket motor (RSRM) nozzle internal joints are being evaluated for the incorporation of a carbon fiber rope (CFR) as a thermal barrier. The CFR is approximately 0.260 in. diameter and is composed of approximately 12,000 carbon fibers, woven in ten sheaths or layers. The CFR is manufactured by a sub-tier vendor and subsequently several of its manufacturing details are proprietary to that vendor. The CFR design intent is to prevent hot motor combustion products and slag from intruding into the joint scaling area while still approaching a vented joint design to avoid the detriments of gas jet impingement. As a member of the Heat Transfer section at Thiokol Propulsion, two main goals exist as part of this NASA funded design effort: (1) development of flow model through the CFR and (2) development of a heat transfer model through the CFR. While both models are needed and most probably interrelated, the gas flow model is being targeted as the subject matter. Essentially, the topic would be "Modeling of Gas Flow through a Braided Carbon Fiber Rope". An AIAA journal or conference paper is being considered through Thiokol/NASA as well. A sub-scale CFR flow test fixture was designed to simulate the relative levels of CFR compression. The test fixture provides the means to measure gas mass flow rate upstream of the CFR and the pressure and temperature both upstream and downstream of the CFR. The test fixture was designed to eliminate the possibility of dynamic gapping at the CFR location and provide minimal flow resistance to ambient for gases exiting the rope. The data collected in the experiment will be evaluated to define a permeability/flow resistance model. Two possibilities exist for the flow characteristics through the CFR from choked flow to strictly friction driven. A test matrix for evaluating the CFR has been compiled, which addresses both of these characteristics. The range of pressures to be tested covers a relatively low delta pressure where non-choked flow is impossible, while the high pressure shown is dictated by the RSRM joint operating pressure where choking is possible. The test matrix, was also designed for a range of rope compressions or test fixture gaps ranging from 0.025" to 0.070". These gaps are controlled by the range of RSRM full-scale hardware joint gaps that will be expected by virtue of the joint design.

Heman, J. R. C.↗

An Introduction to Magnetospheric Physics by Means of Simple Models

The large scale structure and behavior of the Earth's magnetosphere is discussed. The model is suitable for inclusion in courses on space physics, plasmas, astrophysics or the Earth's environment, as well as for self-study. Nine quantitative problems, dealing with properties of linear superpositions of a dipole and a constant field are presented. Topics covered include: open and closed models of the magnetosphere; field line motion; the role of magnetic merging (reconnection); magnetospheric convection; and the origin of the magnetopause, polar cusps, and high latitude lobes.

Stern, D. P.↗

Comment on: The current status of turbulence modeling in CFD and its future prospects

Information is given in viewgraph form on computational fluid dynamics (CFD). Topics covered include the fundamental problem with conventional turbulence modeling, the fundamental problems with the state-of-the-art turbulence modeling approach of 'eddy viscosity', major problems with Reynolds stress equation (RSE) closures, RSE challenges that are probably addressable within the context of Reynolds averaging, RSE challenges which may require theoretical/numerical spectral adjuncts for satisfactory solutions, tools available to aid RSE modeling, and a simplex view of the status of turbulence modeling.

Bushnell, D. M.↗

Investigation of Next-Generation Earth Radiation Budget Radiometry

The current effort addresses two issues important to the research conducted by the Thermal Radiation Group at Virginia Tech. The first research topic involves the development of a method which can properly model the diffraction of radiation as it enters an instrument aperture. The second topic involves the study of a potential next-generation space-borne radiometric instrument concept. Presented are multiple modeling efforts to describe the diffraction of monochromatic radiant energy passing through an aperture for use in the Monte-Carlo ray-trace environment. Described in detail is a deterministic model based upon Heisenberg's uncertainty principle and the particle theory of light. This method is applicable to either Fraunhofer or Fresnel diffraction situations, but is incapable of predicting the secondary fringes in a diffraction pattern. Also presented is a second diffraction model, based on the Huygens-Fresnel principle with a correcting obliquity factor. This model is useful for predicting Fraunhofer diffraction, and can predict the secondary fringes because it keeps track of phase. NASA is planning for the next-generation of instruments to follow CERES (Clouds and the Earth's Radiant Energy System), an instrument which measures components of the Earth's radiant energy budget in three spectral bands. A potential next-generation concept involves modification of the current CERES instrument to measure in a larger number of wavelength bands. This increased spectral partitioning would be achieved by the addition of filters and detectors to the current CERES geometry. The capacity of the CERES telescope to serve for this purpose is addressed in this thesis.

Coffey, Katherine L.↗

Report of the 2014 Programming Models and Environments Summit

Programming models and environments play the essential roles in high performance computing of enabling the conception, design, implementation and execution of science and engineering application codes. Programmer productivity is strongly influenced by the effectiveness of our programming models and environments, as is software sustainability since our codes have lifespans measured in decades, so the advent of new computing architectures, increased concurrency, concerns for resilience, and the increasing demands for high-fidelity, multi-physics, multi-scale and data-intensive computations mean that we have new challenges to address as part of our fundamental R&D requirements. Fortunately, we also have new tools and environments that make design, prototyping and delivery of new programming models easier than ever. The combination of new and challenging requirements and new, powerful toolsets enables significant synergies for the next generation of programming models and environments R&D. This report presents the topics discussed and results from the 2014 DOE Office of Science Advanced Scientific Computing Research (ASCR) Programming Models & Environments Summit, and subsequent discussions among the summit participants and contributors to topics in this report.

97 MATHEMATICS AND COMPUTING↗

Report from the Integrated Modeling Panel at the Workshop on the Science of Ignition on NIF

This section deals with multiphysics radiation hydrodynamics codes used to design and simulate targets in the ignition campaign. These topics encompass all the physical processes they model, and include consideration of any approximations necessary due to finite computer resources. The section focuses on what developments would have the highest impact on reducing uncertainties in modeling most relevant to experimental observations. It considers how the ICF codes should be employed in the ignition campaign. This includes a consideration of how the experiments can be best structured to test the physical models the codes employ.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Distribution of gas in the inner comae of comets

In order to understand the physical and chemical processes which produce the observed spatial morphology of the cometary coma, it is necessary to analyze observational data with physically meaningful models. Thus, a coupled program of theoretical modeling and complementary observational data analysis was undertaken regarding the spatial distributions of neutral gases in the coma. More, specifically, the particular topics of interest are: (1) the theoretical modeling of the nonequilibrium dynamics of the inner coma with emphasis on the region of the coma from the transition from collisional fluid flow out to the free-flow region and on observable conditions in the coma (i.e., density, outflow speed, and temperature); and (2) the model analysis of an important set of long-slit CCD spectra of comets. The side-by-side development of models along with the observation and analysis of data is an important and integral part of this project. The scientific community has in hand valuable observational and in situ data regarding one comet, Halley. It is important to use Halley as the benchmark by which other remotely observed comet data can be understood. Therefore, the self-consistant analysis of data with appropriate models is of the utmost importance. The data analysis work includes the analysis of the spatial profiles of (OI), NH2, CN, and C2.

Combi, Michael↗

Prospects for beyond the Standard Model physics searches at the Deep Underground Neutrino Experiment: DUNE Collaboration

Abstract The Deep Underground Neutrino Experiment (DUNE) will be a powerful tool for a variety of physics topics. The high-intensity proton beams provide a large neutrino flux, sampled by a near detector system consisting of a combination of capable precision detectors, and by the massive far detector system located deep underground. This configuration sets up DUNE as a machine for discovery, as it enables opportunities not only to perform precision neutrino measurements that may uncover deviations from the present three-flavor mixing paradigm, but also to discover new particles and unveil new interactions and symmetries beyond those predicted in the Standard Model (SM). Of the many potential beyond the Standard Model (BSM) topics DUNE will probe, this paper presents a selection of studies quantifying DUNE’s sensitivities to sterile neutrino mixing, heavy neutral leptons, non-standard interactions, CPT symmetry violation, Lorentz invariance violation, neutrino trident production, dark matter from both beam induced and cosmogenic sources, baryon number violation, and other new physics topics that complement those at high-energy colliders and significantly extend the present reach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Numerical simulation of compressible fluid-dynamics in the chamber of inertial fusion energy systems

Here, this paper aims to establish new and innovative modeling capabilities for analyzing chambers in Inertial Fusion Energy (IFE) systems. IFE is emerging as a promising method to achieve fusion power production, but several challenges must be overcome to develop an IFE pilot plant or deploy commercial IFE systems. These challenges are both theoretical and technical, encompassing a deeper understanding of the underlying physical phenomena and the development of new technologies and materials. One of the needs is to develop mathematical models to describe IFE systems and numerical tools to simulate them. This paper contributes to this endeavor by presenting a new OpenFOAM solver for IFE systems, focusing on gas dynamics in their chambers. The analysis and development of chamber designs will play a significant role in the transition from single-shot experiments to high-repetition rates, as there is a need to protect the chamber walls from the intense radiation fields produced by fusion reactions. A promising design option, normally referred to as thick wall chamber design, consists in using lithium or molten salt jet arrays within the chamber. A critical phenomenon is the venting of high-pressure gases from the center to the external part of the chamber, passing through the blanket array. This process involves the propagation and attenuation of strong pressure waves, requiring suitable modeling approaches for compressible fluid-dynamics. The solver proposed in this work implements a multi-material hydrodynamics model tailored to accurately describe the non-linear propagation of pressure waves while avoiding numerical oscillation issues typical of high-velocity compressible simulation. This solver is verified against numerical test cases, validated against experimental data, and applied to the analysis of the High-Yield Lithium-Injection Fusion-Energy (HYLIFE-I) concept. The relevance of this paper is threefold. Firstly, it contributes to developing and testing modeling approaches for compressible fluid-dynamics phenomena, with specific focus on the new and unexplored topic of IFE thick-liquid-wall blanket modeling. Secondly, it marks one of the first applications of the OpenFOAM library in the research field of IFE systems. Finally, the investigated problem is of practical interest for IFE developers, as it provides useful indications about relevant phenomena in pressure wave propagation in the chamber of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Finite elements of nonlinear continua.

The finite element method is extended to a broad class of practical nonlinear problems, treating both theory and applications from a general and unifying point of view. The thermomechanical principles of continuous media and the properties of the finite element method are outlined, and are brought together to produce discrete physical models of nonlinear continua. The mathematical properties of the models are analyzed, and the numerical solution of the equations governing the discrete models is examined. The application of the models to nonlinear problems in finite elasticity, viscoelasticity, heat conduction, and thermoviscoelasticity is discussed. Other specific topics include the topological properties of finite element models, applications to linear and nonlinear boundary value problems, convergence, continuum thermodynamics, finite elasticity, solutions to nonlinear partial differential equations, and discrete models of the nonlinear thermomechanical behavior of dissipative media.

Oden, J. T.↗

Pilot modeling, modal analysis, and control of large flexible aircraft

The issues to be addressed are threefold. The first deals with the question of whether dynamic aeroelastic effects can significantly impact piloted flight dynamics. For example, if one were to explore this problem experimentally, what mathematical model would be appropriate to use in the simulation? What modes, for example, should be included in the simulation, or what linear model should be used in the control synthesis? The second question deals with the appropriate design criteria or design objectives. In the case of active control, for example, what would be the design objectives for the control synthesis if aeroelastic effects are a problem? The outline of the topics includes a description of a model analysis methodology aimed at answering the question of the significance of higher order dynamics. Secondly, a pilot vehicle analysis of some experimental data addresses the question of ""What's important in the task?'' The experimental data will be presented briefly, followed by the results of an open-loop modal analysis of the generic vehicle configurations in question. Finally, one of the vehicles will be augmented via active control and the results presented.

Schmidt, D. K.↗

Effects of Aircraft Health on Airspace Safety

This manuscript investigates the effects of aircraft health on the surrounding airspace, and proposes a methodology to understand how different aircraft-level faults (system faults, communication faults, etc.) can adversely affect the safety of the airspace, and qualitatively assess the impact of such faults on airspace safety metrics (such as congestion, controller/pilot workload, etc.). The topic of systems health management deals with continuously monitoring the performance of an engineering system, identifying and detecting the presence of faults, predicting the growth/progression of faults, computing the remaining useful life, and aiding online decision-making for the robust, continued operation of such engineering systems. The topic of real-time airspace modeling and safety analysis deals with defining and computing safety metrics for airspace operations in order to support risk-informed decision-making activities for various airspace entities including pilots, air traffic controllers, airlines, etc. This report presents recent research efforts that focus on combining multiple aspects of the aforementioned topics, and investigates the impact of aircraft-level faults on the airspace safety

Aircraft Health↗

Opportunities and Challenges of Computational Electromagnetics Methods for Superconducting Circuit Quantum Device Modeling: A Practical Review

High-fidelity numerical methods that model the physical layout of a device are essential for the design of many technologies. For methods that characterize electromagnetic effects, these numerical methods are referred to as computational electromagnetics (CEM) methods. Although the CEM research field is mature, emerging applications can still stress the capabilities of the techniques in use today. The design of superconducting circuit quantum devices falls in this category due to the unconventional material properties and important features of the devices covering nanometer to centimeter scales. Such multiscale devices can stress the fundamental properties of CEM tools which can lead to an increase in simulation times, a loss in accuracy, or even cause no solution to be reliably found. While these challenges are being investigated by CEM researchers, knowledge about them is limited in the broader community of users of these CEM tools. This review is meant to serve as a practical introduction to the fundamental aspects of the major CEM techniques that a researcher may need to choose between to model a device, as well as provide insight into what steps they may take to alleviate some of their challenges. Our focus is on highlighting the main concepts without rigorously deriving all the details, which can be found in many textbooks and articles. After covering the fundamentals, we discuss more advanced topics related to the challenges of modeling multiscale devices with specific examples from superconducting circuit quantum devices. We conclude with a discussion on future research directions that will be valuable for improving the ability to successfully design increasingly more sophisticated superconducting circuit quantum devices. Although our focus and examples are taken from this area, researchers from other fields will still benefit from the details discussed here.

Elkin, Samuel T. [Virginia Tech., Blacksburg]↗

2017 DOE-Crosscut Lean/Low-Temperature Exhaust Emissions Reduction Simulation (CLEERS) Workshop: October 3–5, 2017 Ann Arbor, Michigan, USA

The 20th Crosscut Lean/Low-temperature Exhaust Emissions Reduction Simulation (CLEERS) Workshop sponsored by the US Department of Energy and organized by the Oak Ridge National Laboratory was held on October 3–5, 2017 in Ann Arbor, Michigan. The workshop covers a wide range of emissions control research topics in gasoline, diesel, and natural gas combustion with an emphasis on simulations of modeling of their complex processes. A sample of the topics includes novel catalyst formulations, aging and poisoning, biofuel impacts, selective catalytic reduction of NOx, ultra-low NOx emissions, and perspectives toward 2025 emissions compliance. There were a total of 162 attendees representing automotive manufacturers, component and software suppliers, national labs, universities, and government agencies. There were 39 oral presentations including four invited speakers, 23 posters presentations, and a panel discussion on emerging low-temperature aftertreatment needs and modeling requirements. Many of the presentations have been posted online at http://www.cleers.org/. Some presentations, received as manuscripts, have been selected for publication in Emission Control Science and Technology as special articles from the 2017 CLEERS Workshop.

33 ADVANCED PROPULSION SYSTEMS↗

Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence

The topic of this communication pertains to defect formation in irradiated solids such as plasma-facing tungsten submitted to helium implantation in fusion reactor com- ponents, and nuclear fuel (metal and oxides) submitted to volatile ssion product generation in nuclear reactors. The purpose of this progress report is to describe ef- forts towards addressing the prediction of long-time evolution of defects via continuum cluster dynamics simulation. The di culties are twofold. First, realistic, long-time dynamics in reactor conditions leads to a non-dilute di usion regime which is not accommodated by the prevailing dilute, stressless cluster dynamics theory. Second, long-time dynamics calls for a large set of species (ideally an in nite set) to capture all possible emerging defects, and this represents a computational bottleneck. Extensions beyond the dilute limit is a signi cant undertaking since no model has been advanced to extend cluster dynamics to non-dilute, deformable conditions. Here our proposed approach to model the non-dilute limit is to monitor the appearance of a spatially localized void volume fraction in the solid matrix with a bell shape pro le and insert an explicit geometrical bubble onto the support of the bell function. The newly cre- ated internal moving boundary provides the means to account for the interfacial ux of mobile species into the bubble, and the growth of bubbles allows for coalescence phenomena which captures highly non-dilute interactions. We present a preliminary interfacial kinematic model with associated interfacial di usion transport to follow the evolution of the bubble in any number of spatial dimensions and any number of bubbles, which can be further extended to include a deformation theory. Finally we comment on a computational front-tracking method to be used in conjunction with conventional cluster dynamics simulations in the non-dilute model proposed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Presentation on systems cluster research

This viewgraph presentation presents an overview of systems cluster research performed by the Center for Space Construction. The goals of the research are to develop concepts, insights, and models for space construction and to develop systems engineering/analysis curricula for training future aerospace engineers. The following topics are covered: CSC systems analysis/systems engineering (SIMCON) model, CSC systems cluster schedule, system life-cycle, model optimization techniques, publications, cooperative efforts, and sponsored research.

Morgenthaler, George W.↗