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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Accelerated Aging Humidity Chamber for Nuclear Grade HEPA Filter Media

A unique accelerated aging humidity chamber for simulating the natural aging process of nuclear grade high efficiency particulate air (HEPA) filter media is being designed, implemented, and tested. The nuclear industry currently lacks information regarding the shelf life and service life of HEPA filter media. The Department of Energy recommends disposing of HEPA filters 10 years after the manufacture date for filters operated under dry conditions. Studies have shown the tensile strength and water repellency of HEPA filter media diminish with age. The chamber's principal function is to sustain an elevated relative humidity condition for an extended duration specified by the Arrhenius aging model. To accomplish this, various design parameters were established: (1) consistently achieve uniform humidity conditions within the chamber to equally expose media sheets, (2) ensure the chamber is sufficiently sealed to mitigate the uncontrolled infiltration of air, (3) confidently secure the media sheets to avert the introduction of unnecessary stressing/creasing, (4) fabricate the chamber from clear polycarbonate material to allow inspection of the media sheets, (5) provide a safe and ergonomic design for personnel, (6) ensure the chamber design is replicable and relatively easy to fabricate/assemble. A humidity source, fan, PID controller, humidity and temperature transmitters, and data loggers are required for proper operation and control of the chamber. The humidity source must accommodate target values up to 95% relative humidity throughout the chamber. The three humidity and temperature transmitters are strategically spaced throughout the chamber to ensure uniform conditions. The 10 cubic feet per minute (CFM) fan selected intends to accomplish the desired air change rate inside the chamber of approximately 20 air changes per hour (ACH). The 2 plenums on the upper and lower portions of the chamber utilize a perforated design to uniformly distribute air, promote air mixing, and control the air velocity entering the chamber. Industrial blueprint hanging clamps are being retrofitted to be seated within the chamber drawers and firmly secure the nuclear grade filter media. The aged media will be evaluated using autopsy methodology, and the results obtained intend to help clarify the useful life of nuclear grade HEPA filters. Nuclear grade high efficiency particulate air (HEPA) filters are defined as disposable, extended-media, dry-type filters with a rigid casing enclosing the full depth of the pleats and have a minimum particle removal efficiency of 99.97%. [1] - HEPA filters are constantly exposed to stressors and subsequently have been shown to degrade as the filter ages. Properties such as tensile strength and water repellency, along with others, are negatively impacted. [2] - Due to the scarcity of naturally aged HEPA filters available, it is crucial to develop accelerated aging methods which effectively mimic the natural degradation effects. - After accelerated aging, the filters are subject to testing in the Axial Flow Large Scale Test Stand (ALSTS) and other analysis techniques such as the same qualification tests performed directly after being manufactured. - Quality data is necessary for future decisions regarding the lifetime of nuclear grade HEPA filters. - The objective is to develop a prototype accelerated aging humidity chamber for nuclear grade HEPA filter media. The chamber should expose the media to commonly occurring stressors to expedite the degradation process caused by aging. PID yields reliable and reproducible results: - CFD model correlates well with actual performance; - Further analysis is needed to complete characterization; - Future work for the chamber is still to be completed. The data shown in Figure 5 and Table 1 indicate the system is functioning as designed. As can be determined from the system response evaluation in Table 1, the PID controller is yielding reliable and reproducible results at each set point. As the set point increases, the time constant and 20% settling time increase accordingly. From the results in Table 1, it stands to reason that the CFD model correlates well with the actual performance of the system. Each system response parameter for the 90%RH* CFD model is slightly lower than the parameters collected from the physical model tested at an equivalent set point. This is to be expected considering the inlet in the CFD model is a constant supply of water vapor, whereas the physical model uses a PID controller to monitor the amount of water vapor needed and reacts accordingly. More analysis is still to be done on the prototype chamber. A pressure test will be conducted in order to determine the hourly leak rate of the chamber. This test will involve constant air flow into the chamber until the desired pressure is reached. A uniformity test will also be conducted in order to ensure each filter medium is being exposed to equivalent relative humidity levels. This test will involve an array of humidity meters strategically oriented inside the chamber to record any possible gradients. Future work for the chamber includes dehumidification abilities, tests while fully loaded with filters, and temperature control. Once completed, the autopsy team at Institute of Clean Energy Technology will conduct necessary accelerated aging studies as needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Implementation of Perturbation Theory and Sensitivity Capabilities in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor Multiphysics analysis application, jointly developed by Argonne and Idaho National Laboratories under the DOE-NE NEAMS program. This fiscal year, capabilities for reactivity and sensitivity evaluation using perturbation methods were implemented and verified. The First Order Perturbation Method (FOPT) was employed to compute reactivity worth resulting from small perturbations in input parameters, while the Generalized Perturbation Theory (GPT) was used to evaluate sensitivities of a range of response types, including reaction rate ratio, k-eigenvalue, neutron generation time, and effective delayed neutron fraction. These perturbation methods enable users to quantify how response quantities change due to a perturbation in a input parameter without explicitly performing an additional transport simulation for each perturbed state. In particular, the GPT formulation accounts for indirect effects arising from flux changes by solving generalized inhomogeneous equations, for which a Neumann series-based iterative solution method was developed and implemented in Griffin. The implemented reactivity and sensitivity evaluation capabilities were verified using two test problems: an infinite homogeneous system and a two-dimensional hexagonal core. The results showed excellent agreement with reference solutions obtained by a direct method based on finite difference approximation as well as GPT-based results from the PERSENT code, confirming the accuracy of both reactivity and sensitivity evaluations. Additionally, preliminary uncertainty quantification (UQ) results were obtained by combining the sensitivity values computed using GPT and external covariance data, demonstrating that the implemented sensitivity results can be reliably used for uncertainty calculations. To further demonstrate the generality and practical strength of the implementation, the sensitivity evaluation capability was successfully applied to the Empire microreactor with a geometrically complex design that poses significant modeling challenges. The results confirm that Griffin enables sensitivity evaluations even for irregular and highly heterogeneous reactor configurations, thereby establishing a foundation for UQ applications in advanced reactor designs and analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2006

CAPRI: A Geometric Foundation for Computational Analysis and Design

CAPRI is a software building tool-kit that refers to two ideas; (1) A simplified, object-oriented, hierarchical view of a solid part integrating both geometry and topology definitions, and (2) programming access to this part or assembly and any attached data. A complete definition of the geometry and application programming interface can be found in the document CAPRI: Computational Analysis PRogramming Interface appended to this report. In summary the interface is subdivided into the following functional components: 1. Utility routines -- These routines include the initialization of CAPRI, loading CAD parts and querying the operational status as well as closing the system down. 2. Geometry data-base queries -- This group of functions allow all top level applications to figure out and get detailed information on any geometric component in the Volume definition. 3. Point queries -- These calls allow grid generators, or solvers doing node adaptation, to snap points directly onto geometric entities. 4. Calculated or geometrically derived queries -- These entry points calculate data from the geometry to aid in grid generation. 5. Boundary data routines -- This part of CAPRI allows general data to be attached to Boundaries so that the boundary conditions can be specified and stored within CAPRI s data-base. 6. Tag based routines -- This part of the API allows the specification of properties associated with either the Volume (material properties) or Boundary (surface properties) entities. 7. Geometry based interpolation routines -- This part of the API facilitates Multi-disciplinary coupling and allows zooming through Boundary Attachments. 8. Geometric creation and manipulation -- These calls facilitate constructing simple solid entities and perform the Boolean solid operations. Geometry constructed in this manner has the advantage that if the data is kept consistent with the CAD package, therefore a new design can be incorporated directly and is manufacturable. 9. Master Model access This addition to the API allows for the querying of the parameters and dimensions of the model. The feature tree is also exposed so it is easy to see where the parameters are applied. Calls exist to allow for the modification of the parameters and the suppression/unsuppression of nodes in the tree. Part regeneration is performed by a single API call and a new part becomes available within CAPRI (if the regeneration was successful). This is described in a separate document. Components 1-7 are considered the CAPRI base level reader.

Haimes, Robert↗
NASA NTRS2002

The Velocity Distribution of Isolated Radio Pulsars

We infer the velocity distribution of radio pulsars based on large-scale 0.4 GHz pulsar surveys. We do so by modelling evolution of the locations, velocities, spins, and radio luminosities of pulsars; calculating pulsed flux according to a beaming model and random orientation angles of spin and beam; applying selection effects of pulsar surveys; and comparing model distributions of measurable pulsar properties with survey data using a likelihood function. The surveys analyzed have well-defined characteristics and cover approx. 95% of the sky. We maximize the likelihood in a 6-dimensional space of observables P, dot-P, DM, absolute value of b, mu, F (period, period derivative, dispersion measure, Galactic latitude, proper motion, and flux density). The models we test are described by 12 parameters that characterize a population's birth rate, luminosity, shutoff of radio emission, birth locations, and birth velocities. We infer that the radio beam luminosity (i) is comparable to the energy flux of relativistic particles in models for spin-driven magnetospheres, signifying that radio emission losses reach nearly 100% for the oldest pulsars; and (ii) scales approximately as E(exp 1/2) which, in magnetosphere models, is proportional to the voltage drop available for acceleration of particles. We find that a two-component velocity distribution with characteristic velocities of 90 km/ s and 500 km/ s is greatly preferred to any one-component distribution; this preference is largely immune to variations in other population parameters, such as the luminosity or distance scale, or the assumed spin-down law. We explore some consequences of the preferred birth velocity distribution: (1) roughly 50% of pulsars in the solar neighborhood will escape the Galaxy, while approx. 15% have velocities greater than 1000 km/ s (2) observational bias against high velocity pulsars is relatively unimportant for surveys that reach high Galactic absolute value of z distances, but is severe for spatially bounded surveys; (3) an important low-velocity population exists that increases the fraction of neutron stars retained by globular clusters and is consistent with the number of old objects that accrete from the interstellar medium; (4) under standard assumptions for supernova remnant expansion and pulsar spin-down, approx. 10% of pulsars younger than 20 kyr will appear to lie outside of their host remnants. Finally, we comment on the ramifications of our birth velocity distribution for binary survival and the population of inspiraling binary neutron stars relevant to some GRB models and potential sources for LIGO.

Arzoumanian, Z.↗
NASA NTRS2016

Investigating Global Ion and Neutral Atom Populations with IBEX and Voyager

The main objective of this project was to investigate pickup ion (PUI) production in the solar wind and heliosheath (the region between the termination shock and the heliopause) and compute the distributed energetic neutral atom fluxes throughout the helioshpere. The simulations were constrained by comparing the model output against observations from Ulysses, New Horizons, Voyager 1 and 2, and IBEX space probes. As evidenced by the number of peer reviewed journal publications resulting from the project (13 plus three submitted) and their citation rate (156 citations over three years), the project has made a lasting contribution to the field. The outcome is a significant improvement of our understanding of the pickup ion production and distribution in the distant heliosphere. The team has accomplished the entire set of tasks A-H set forth in the proposal. Namely, the transport modeling framework has been augmented with two populations of pickup ions (PUIs), the boundary conditions for the plasma and interstellar neutral hydrogen were verified against Ulysses and New Horizons PUI and an optimal set of velocity diffusion parameters established. The multi-component fluxes of PUIs were computed and isotropic velocity distributions generated for each cell in the computer simulation that covered the heliosphere from 1.5 AU to the heliopause. The distributions were carefully compared with in situ measurements at 3 AU (Ulysses), 12 AU (New Horizons), and 80-90 AU (Voyager 1 and 2) as well as those inferred from ENA fluxes measured by Cassini and IBEX (Wu et al., 2016). Some examples of modeldata comparison are shown in Figure 1. We have used coupled MHD-plasma and kinetic-neutral code to investigate the likely range of plasma and magnetic field parameters in the local interstellar medium (LISM), based on the assumption that the shape of the IBEX ribbon could be used to determine the orientation of the interstellar magnetic field. While the magnetic field is believed to be oriented toward the center of the ribbon, constraining its strength requires comparing the model-predicted angular diameter and circularity of the ribbon with the observations. The study, published in Heerikhuisen et al. (2014), found that the most likely range for the LISM magnetic field strength is between 0.2 and 0.3 nT, which is less than previously thought. Figure 2 shows the IBEX data (left) and compares it to the simulation with a 0.2 nT interstellar magnetic field (center) and a 0.4 nT (right).

Florinski, Vladimir↗
NASA NTRS2004

Transition from Pool to Flow Boiling: The Effect of Reduced Gravity

Applications of boiling heat transfer in space can be found in the areas of thermal management, fluid handling and control, power systems, on-orbit storage and supply systems for cryogenic propellants and life support fluids, and for cooling of electronic packages for power systems associated with various instrumentation and control systems. Recent interest in exploration of Mars and other planets, and the concepts of in-situ resource utiliLation on Mars highlights the need to understand the effect of gravity on boiling heat transfer at gravity levels varying from 1>= g/g(sub e) >=10(exp -6). The objective of the proposed work was to develop a mechanistic understanding of nucleate boiling and critical heat flux under low and micro-gravity conditions when the velocity of the imposed flow is small. For pool boiling, the effect of reduced gravity is to stretch both the length scale as well as the time scale for the boiling process. At high flow velocities, the inertia of the liquid determines the time and the length scales and as such the gravitational acceleration plays little role. However, at low velocities and at low gravity levels both liquid inertia and buoyancy are of equal importance. At present, we have little understanding of the interacting roles of gravity and liquid inertia on the nucleate boiling process. Little data that has been reported in the literature does not have much practical value in that it can not serve as a basis for design of heat exchange components to be used in space. Both experimental and complete numerical simulations of the low velocity, low-gravity nucleate boiling process were carried out. A building block type of approach was used in that first the growth and detachment process of a single bubble and flow and heat transfer associated with the sliding motion of the bubble over the heater surface after detachment was studied. Liquid subcooling and flow velocity were varied parametrically. The experiments were conducted at 1 g(sub e), while varying the orientation of surface with respect to the gravity vector. In the laboratory experiments, holographic interferometry was used to obtain data on velocity and temperature fields associated with a bubble prior to, and after detachment and during sliding motion. A test rig for conducting experiments in the KC-135 was developed, but experiments could not be conducted due to the unavailability of the aircraft prior to completion of the project. Numerical simulations modeling the micro and macro regions of the bubble were carried out in three dimensions. The results of the experiments were used to validate analytical/numerical models.

Dhir, Vijay K.↗
DOE OSTI2021

The Role of Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology: Proceedings of a Workshop

Quantum concepts hold the potential to enable significant advances in sensing and imaging technologies that could be vital to the study of biological systems. The workshop Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology, held online March 8–10, 2021, was organized to examine the research and development needs to advance biological applications of quantum technology. Hosted by the National Academies of Sciences, Engineering, and Medicine, the event brought together experts working on state-of-the-art, quantum-enabled technologies and scientists who are interested in applying these technologies to biological systems. Through talks, panels, and discussions, the workshop facilitated a better understanding of the current and future biological applications of quantum-enabled technologies in fields such as microbiology, molecular biology, cell biology, plant science, mycology, and many others. The workshop was organized around three main themes. The first, quantum in biology, examined quantum concepts that are hypothesized to be important for life processes and that researchers are working to observe through biological imaging and sensing. The second, quantum for biology, addressed ways to use quantum concepts to enhance technologies for biological imaging and sensing. The third, biology for quantum, offered a wider discussion of how the frontiers of biological imaging and sensing could enable future study using quantum concepts, tools, or technologies. Throughout the workshop, participants identified a wide range of emerging approaches and opportunities at the intersection of quantum physics and biological sensing and imaging. During the workshop, there were some differences in how each speaker defined the term quantum. During one of the panels, Prem Kumar offered thoughts on what phenomena are classical versus quantum, explaining that techniques get progressively more quantum as you move from just having superposition to having superposition with measurement and entanglement. Another explanation from Clarice Aiello delineates the definition into several levels. This includes a base level of “quantum-ness,” which reflects that all matter is made of atoms, and when these particles are isolated they behave based on quantum mechanical principles. A second level is related to quantum coherence, where a single quantum object might be found in a coherent superposition state. A final level, which she described as the quantum-entangled level, involves multiple quantum systems which are entangled among themselves. Overall, the workshop touched on concepts such as superposition, entanglement, and squeezing and their potential implications for communication, computing, and simulation, in addition to the workshop’s main focal area, biological sensing and imaging. At the opening of the workshop, Thorsten Ritz of the University of California, Irvine, identified two questions at the heart of quantum biology: Is the machinery of life quantum mechanical, and can quantum mechanics be used to study the machinery of life in new ways? Participants highlighted systems in which researchers have explored these questions, from the vast array of molecular interactions involved in biological processes such as photosynthesis, to the mechanics involved in cellular functions such as differentiation and aggregation, to the role of oscillating magnetic fields in flight orientation among birds. Sensing and imaging technologies are crucial to biological research; these technologies could both enhance the study of quantum effects and be enhanced by quantum concepts. A critical challenge in biological research is to develop imaging and sensing tools that do not damage or interfere with the often fragile and fleeting systems being studied. Attendees discussed a variety of established and emerging technologies that could enhance noninvasive biological imaging, including single- and two-photon spectroscopy, single-molecule spectroscopy, quantum illumination, ghost imaging, and cryo-electron microscopy. One example came from Marlan Scully who gave a keynote address on the first day of the workshop. Scully emphasized the use of different laser technologies, which exhibit coherence and other quantum properties, in moving toward real-world biological applications, such as the detection of SARS-CoV-2. Both tools and theory will play an important role in advancing quantum biology research and applications. Several participants suggested theorists and experimentalists should work in tandem to understand and model biological processes. While physics often reduces systems to their simplest forms for fundamental insights, participants also noted the value of observing and understanding biological systems in all their “messiness,” capturing both the inner workings of biological systems and the complex interactions that occur within and between organisms. In discussions among participants, several attendees stressed the need to match emerging tools with the right scientific questions. Rather than developing quantum technologies as “a hammer looking for a nail,” participants emphasized a focus on exploring the problems these technologies are best suited to address. For example, it is important to consider the size of the phenomenon being studied, the timescales that are important in answering the scientific question, and other relevant considerations. Every tool along the spectrum from classical to quantum involves its own set of trade-offs. For example, Ted Laurence of the Lawrence Livermore National Laboratory said that quantum measurements, such as single photon counting, fluorescence transitions, and lasers, can take longer to produce the same results as classical measurements. These quantum measurements, however, do not require calibration and can enable new research questions to be answered. Prem Kumar, Northwestern University, noted that, despite their promise, quantum approaches should not be used simply for the sake of using quantum, especially in situations where classical approaches better meet the needs of the researcher. Understanding and applying quantum concepts could enable advances in a wide range of application areas including energy, synthetic biology, medicine, and sustainability. For example, Michelle O’Malley, University of California, Santa Barbara, described how improved noninvasive imaging approaches could help capture the complex interactions and functions involved in the breakdown of organic matter by microbial communities and lead to new technologies for capturing valuable products from plant waste. Several other participants discussed needs in tracking the movement of metabolites and molecules in microbial communities for insights into nutrient cycling in environments such as soil. Margaret Ahmad, Sorbonne University, discussed potential opportunities to leverage the magnetic properties of cryptochromes to advance new treatment approaches for diseases such as COVID-19 and cancer. Looking toward the future development of the field, participants discussed challenges to advancing quantum biology that arise from disciplinary disconnects between physicists and biologists. The siloing of academic research disciplines represents a significant barrier to progress. Disconnects in terminology, motivations and priorities, and structural barriers to collaborative work underscore the need for concerted efforts to bridge these divides. Attendees and speakers offered suggestions for resolving these divergences, establishing a shared language, moving the field forward, and fostering meaningful feedback between disciplines. Overall, participants stressed a need for balance, open communication, collaboration, unity, and clear dialogue on trade-offs between quantum and classical approaches. Keiko Torii, The University of Texas at Austin, said that the best collaborations happen when the project provides mutual advantages that can show off everyone’s talents, each team finds the work interesting, and partners develop a camaraderie to pursue new knowledge. To enable near- and long-term opportunities in this space, participants suggested that exploratory, high-risk funding could improve existing instrumentation to explore quantum enhancement collaboratively. They also emphasized the need for collaboration between quantum physicists and sensing/imaging scientists, which could be advanced through a dedicated quantum biology investigator program. People, even more than technology, will be crucial to the future of quantum biology. Participants explored training, education, and workforce needs to further develop this burgeoning field and cultivate the next generation of scientists. While many programs are still in their nascent stages, participants highlighted examples of approaches and programs being developed at various types of institutions to engage students and professional scientists in quantum biology research. Several participants stressed the need for an inclusive approach, spanning disciplines as well as communities to foster a diverse field fueled by the intellectual contributions of a wide range of people, including historically under-resourced schools and students. To increase awareness and excitement about quantum physics and related areas of biology, attendees suggested capitalizing on the “buzz” around quantum. Several participants emphasized the need to start early, introducing students to quantum concepts and their appealing “weirdness” in K–12 education. Engaging students early—before they become entrenched in traditional disciplinary siloes as typically happens in graduate school—could help to galvanize interest in the area and foster a generation of scientists with the interdisciplinary mindset and skills needed to advance this interdisciplinary field. While these efforts could be advanced at many levels and across multiple sectors, several participants suggested a national quantum biology center could be a valuable hub to coordinate and support quantum biology education and workforce development across academia, industry, and government.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2007

Users Guide for the Anvil Threat Corridor Forecast Tool V1.7.0 for AWIPS

The Applied Meteorology Unit (AMU) originally developed the Anvil Threat Sector Tool for the Meteorological Interactive Data Display System (MIDDS) and delivered the capability in three phases beginning with a feasibility study in 2000 and delivering the operational final product in December 2003. This tool is currently used operationally by the 45th Weather Squadron (45 WS) Launch Weather Officers (LWO) and Spaceflight Meteorology Group (SMG) forecasters. Phase I of the task established the technical feasibility of developing an objective, observations-based tool for short-range anvil forecasting. The AMU was subsequently tasked to develop short-term anvil forecasting tools to improve predictions of the threat of triggered lightning to space launch and landing vehicles. Under the Phase II effort, the AMU developed a nowcasting anvil threat sector tool, which provided the user with a threat sector based on the most current radiosonde upper wind data from a co-located or upstream station. The Phase II Anvil Threat Sector Tool computes the average wind speed and direction in the layer between 300 and 150 mb from the latest radiosonde for a user-designated station. The following threat sector properties are consistent with the propagation and lifetime characteristics of thunderstorm anvil clouds observed over Florida and its coastal waters (Short et al. 2002): a) 20 n mi standoff circle, b) 30 degree sector width, c) Orientation given by 300 to 150 mb average wind direction, d) 1-, 2-, and 3- hour arcs in upwind direction, and e) Arc distances given by 300 to 150 mb average wind speed. Figure 1 is an example of the MIDDS Anvil Threat Sector tool overlaid on a visible satellite image at 2132 UTC 13 May 2001. Space Launch Complex 39A was selected as the center point and the Anvil Threat Sector was determined from upper-level wind data at 1500 UTC in the preconvective environment. Narrow thunderstorm anvil clouds extend from central Florida to the space launch and landing facilities at the Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) and beyond. The anvil clouds were generated around 1930 UTC (1430 EDT) by thunderstorm activity over central Florida and transported 90 n mi east-northeastward within 2 hours, as diagnosed by the anvil forecast tool. Phase III, delivered in February 2003, built upon the results of Phase II by enhancing the Anvil Threat Sector Tool with the capability to use national model forecast winds for depiction of potential anvil lengths and orientations over the KSC/CCAFS area with lead times from 3 through 168 hours (7 days). In September 2003, AMU customers requested the capability to use data from the KSC 50 MHz Doppler Radar Wind Profiler (DRWP) in the Anvil Threat Sector Tool and this capability was delivered by the AMU in December 2003. In March 2005, the AMU was tasked to migrate the MIDDS Anvil Threat Sector Tool capabilities onto the Advanced Weather Interactive Processing System (AWIPS) as the Anvil Threat Corridor Forecast Tool.

Bauman, William H., III↗
NASA NTRS2015

Wind Tunnel Interference Effects on Tilt Rotor Testing Using Computational Fluid Dynamics

Experimental techniques to measure rotorcraft aerodynamic performance are widely used. However, most of them are either unable to capture interference effects from bodies, or require an extremely large computational budget. The objective of the present research is to develop an XV-15 Tilt Rotor Research Aircraft rotor model for investigation of wind tunnel wall interference using a novel Computational Fluid Dynamics (CFD) solver for rotorcraft, RotCFD. In RotCFD, a mid-fidelity URANS solver is used with an incompressible flow model and a realizable k-ε turbulence model. The rotor is, however, not modeled using a computationally expensive, unsteady viscous body-fitted grid, but is instead modeled using a blade element model with a momentum source approach. Various flight modes of the XV-15 isolated rotor, including hover, tilt and airplane mode, have been simulated and correlated to existing experimental and theoretical data. The rotor model is subsequently used for wind tunnel wall interference simulations in the National Full-Scale Aerodynamics Complex (NFAC) at NASA Ames Research Center in California. The results from the validation of the isolated rotor performance showed good correlation with experimental and theoretical data. The results were on par with known theoretical analyses. In RotCFD the setup, grid generation and running of cases is faster than many CFD codes, which makes it a useful engineering tool. Performance predictions need not be as accurate as high-fidelity CFD codes, as long as wall effects can be properly simulated. For both test sections of the NFAC wall interference was examined by simulating the XV-15 rotor in the test section of the wind tunnel and with an identical grid but extended boundaries in free field. Both cases were also examined with an isolated rotor or with the rotor mounted on the modeled geometry of the Tiltrotor Test Rig (TTR). A 'quasi linear trim' was used to trim the thrust for the rotor to compare the power as a unique variable. Power differences between free field and wind tunnel cases were found from -7 % to 0 % in the 80- by 120-Foot Wind Tunnel test section and -1.6 % to 4.8 % in the 40- by 80-Foot Wind Tunnel, depending on the TTR orientation, tunnel velocity and blade setting. The TTR will be used in 2016 to test the Bell 609 rotor in a similar fashion to the research in this report.

CFD↗
NASA NTRS2016

Wind Tunnel Interference Effects on Tilt Rotor Testing Using Computational Fluid Dynamics

Experimental techniques to measure rotorcraft aerodynamic performance are widely used. However, most of them are either unable to capture interference effects from bodies, or require an extremely large computational budget. The objective of the present research is to develop an XV-15 Tiltrotor Research Aircraft rotor model for investigation of wind tunnel wall interference using a novel Computational Fluid Dynamics (CFD) solver for rotorcraft, RotCFD. In RotCFD, a mid-fidelity Unsteady Reynolds Averaged Navier-Stokes (URANS) solver is used with an incompressible flow model and a realizable k-ε turbulence model. The rotor is, however, not modeled using a computationally expensive, unsteady viscous body-fitted grid, but is instead modeled using a blade-element model (BEM) with a momentum source approach. Various flight modes of the XV-15 isolated rotor, including hover, tilt, and airplane mode, have been simulated and correlated to existing experimental and theoretical data. The rotor model is subsequently used for wind tunnel wall interference simulations in the National Full-Scale Aerodynamics Complex (NFAC) at Ames Research Center in California. The results from the validation of the isolated rotor performance showed good correlation with experimental and theoretical data. The results were on par with known theoretical analyses. In RotCFD the setup, grid generation, and running of cases is faster than many CFD codes, which makes it a useful engineering tool. Performance predictions need not be as accurate as high-fidelity CFD codes, as long as wall effects can be properly simulated. For both test sections of the NFAC wall, interference was examined by simulating the XV-15 rotor in the test section of the wind tunnel and with an identical grid but extended boundaries in free field. Both cases were also examined with an isolated rotor or with the rotor mounted on the modeled geometry of the Tiltrotor Test Rig (TTR). A "quasi linear trim" was used to trim the thrust for the rotor to compare the power as a unique variable. Power differences between free field and wind tunnel cases were found from -7 to 0 percent in the 80- by 120-Foot Wind Tunnel and -1.6 to 4.8 percent in the 40- by 80-Foot Wind Tunnel, depending on the TTR orientation, tunnel velocity, and blade setting. The TTR will be used in 2016 to test the Bell 609 rotor in a similar fashion to the research in this report.

CFD↗
NASA NTRS2015

Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition, after investigating various methods, a Smoothed Particle Hydrodynamics Model (SPH Model) was developed to model wire feeding process. Its computational efficiency and simple architecture makes it more robust and flexible than other models. More research on material properties may be needed to realistically model the AAM processes. A microscale model was developed to investigate heterogeneous nucleation, dendritic grain growth, epitaxial growth of columnar grains, columnar-to-equiaxed transition, grain transport in melt, and other properties. The orientations of the columnar grains were almost perpendicular to the laser motion's direction. Compared to the similar studies in the literature, the multiple grain morphology modeling result is in the same order of magnitude as optical morphologies in the experiment. Experimental work was conducted to validate different models. An infrared camera was incorporated as a process monitoring and validating tool to identify the solidus and mushy zones during deposition. The images were successfully processed to identify these regions. This research project has investigated multiscale and multiphysics of the complex AAM processes thus leading to advanced understanding of these processes. The project has also developed several modeling tools and experimental validation tools that will be very critical in the future of AAM process qualification and certification.

Liou, Frank↗
NASA NTRS2006

X-Windows PVT Widget Class

The X-Windows Process Validation Table (PVT) Widget Class ( Class is used here in the object-oriented-programming sense of the word) was devised to simplify the task of implementing network registration services for Information Sharing Protocol (ISP) graphical-user-interface (GUI) computer programs. Heretofore, ISP PVT programming tasks have required many method calls to identify, query, and interpret the connections and messages exchanged between a client and a PVT server. Normally, programmers have utilized direct access to UNIX socket libraries to implement the PVT protocol queries, necessitating the use of many lines of source code to perform frequent tasks. Now, the X-Windows PVT Widget Class encapsulates ISP client server network registration management tasks within the framework of an X Windows widget. Use of the widget framework enables an X Windows GUI program to interact with PVT services in an abstract way and in the same manner as that of other graphical widgets, making it easier to program PVT clients. Wrapping the PVT services inside the widget framework enables a programmer to treat a PVT server interface as though it were a GUI. Moreover, an alternate subclass could implement another service in a widget of the same type. This program was written by Matthew R. Barry of United Space Alliance for Johnson Space Center. For further information, contact the Johnson Technology Transfer Office at (281) 483-3809. MSC-23582 Shuttle Data Center File- Processing Tool in Java A Java-language computer program has been written to facilitate mining of data in files in the Shuttle Data Center (SDC) archives. This program can be executed on a variety of workstations or via Web-browser programs. This program is partly similar to prior C-language programs used for the same purpose, while differing from those programs in that it exploits the platform-neutrality of Java in implementing several features that are important for analysis of large sets of time-series data. The program supports regular expression queries of SDC archive files, reads the files, interleaves the time-stamped samples according to a chosen output, then transforms the results into that format. A user can choose among a variety of output file formats that are useful for diverse purposes, including plotting, Markov modeling, multivariate density estimation, and wavelet multiresolution analysis, as well as for playback of data in support of simulation and testing.

Barry, Matthew R.↗
NASA NTRS2000

The X-Ray Core of the Low-Luminosity Radio Galaxy 3C346 and ASCA Spectroscopy to Test BL LAC/Radio Galaxy Unification

Radio galaxies are relatively faint sources for Advanced Spacecraft for Cosmology Astrophysics (ASCA), and so in order to get the best possible results from the observations two things have been necessary, both of which delayed the fast preparation of papers. Firstly, the best possible data screening and background subtraction were necessary to improve the signal-to-noise, and all our several initial analysis trials were discarded in favor of using FTOOLS versions 4.1 and above. Secondly, we found that the ASCA spectra were statistically too poor to discriminate well between non-thermal and thermal models, never mind the mixture of the two which we expected on the basis of our ROSAT spatial separation of components in radio galaxies. This means that in each case we have needed to combine the ASCA spectroscopy with analysis of data from other X-ray or radio observations in order to exploit the ASCA data to the full. Our analysis for 3C 346 has yielded the cleanest final result. This powerful radio galaxy at a redshift of 0.161, lies in a poor cluster, which we have separated well from the dominant X-ray component of unresolved emission using a spatial analysis of archival ROSAT data. We were then able to fix the thermal component in our ASCA spectral analysis, and have found evidence that the unresolved emission varied by 32 +/- 13% over the 18 months between the ROSAT and ASCA observations. The unresolved X-ray emission does not suffer from intrinsic absorption, and we have related it to radio structures on both milliarcsecond scales and the arcsecond scales which Chandra can resolve. The source is a target of a Chandra AO2 proposal which we have recently submitted to follow up on our ASCA (and ROSAT) work. 3C 346's orientation to the line of sight is uncertain. However, the absence of X-ray absorption, and the radio/optical/X-ray colors, when combined with with previous radio evidence that the source is a foreshortened radio galaxy of the FRII class, suggest that the radio jets are seen at an angle to the line of sight of about 30 deg, intermediate between the radio-galaxy and quasar classes. The relatively hard ASCA response has allowed us to place an upper limit of 5.6 x 10(exp 43) ergs/ s on the 2-10 keV luminosity of any central X-ray component absorbed bN, gas which might be obscuring the broad-line emission region. Attached to this report is an almost final draft of a paper which we have prepared for submission to the Astrophysical Journal. Our combined ASCA and ROSAT results for NGC 6251 rule out our previously preferred flat-spectrum model and inverse-Compton interpretation for the source based on ROSAT data alone, but a softer X-ray spectrum and moderate absorption bring all the available data (including our early VLA HI measurements) into consistency, and we are reasonably confident that we understand the processes responsible for the X-ray emission. We have made some more sensitive HI absorption measurements which are currently being analyzed, and our plans are to publish our ASCA analysis in conjunction with the new HI results. The ASCA data for NGC 4261 have been difficult to interpret. A re-analysis of our ROSAT data with a wider range of physical parameters brings the ROSAT and ASCA results into reasonable agreement only if the emission from hot gas dominates more than suggested by our earlier work, which is itself unexpected since the radio core is bright and a large jet-related X-ray component would bring the source into agreement with results for others of its type. However, we have recently received our Chandra A01 data for this source, with the spatial resolution which allows us to separate thermal and non-thermal emission components. Our ASCA results will be re-interpreted once the analysis of our Chandra data is complete. The interpretation of the ASCA data for BL Lac object 3C 371 is ongoing, in conjunction with analysis of archival multifrequency data. Radio galaxies are complex in their X-ray properties, and hindsight has shown that the spatial resolution of ASCA is too poor for a reliable interpretation of the data without drawing on other observations. However, the ASCA spectra have made a useful contribution to the interpretation of these sources, and the groundwork is now there for more sensitive work using Chandra and XMM-Newton.

Worrall, Diana↗
DOE OSTI2022

SMALE: Enhancing Scalability of Machine Learning Algorithms on Extreme-Scale Computing Platforms

Deployment and execution of machine learning tasks on extreme-scale computing platforms face several significant technical challenges: 1) High computing cost incurred by dense networks – The computing workload of deep networks with densely-connected topology increases rapidly with the network size, imposing a non-scalable computing model of extreme-scale computing platforms; 2) Non-optimized workload distribution – Many advanced deep learning algorithms, e.g., sparsification and irregular net-work topology, produce very unbalanced workload distribution on extreme-scale computing platforms. The computation efficiency is greatly hindered by the incurred data and computation redundancies as well as long tails of the node with extensive workload; 3) Constraints in data movement and I/O bottle-neck – Inter-node data movement in extreme-scale computing platforms are associated with high energy and latency costs, and subject to the constraints of I/O bandwidth; and 4) Generalization of algorithm realization and acceleration on computing platforms – The large varieties of machine learning algorithms and structures of extreme-scale computing platforms make the derivation of a generalized algorithm realization and acceleration method very challenging, which, however, is the requirement by domain scientists and interested users. We call the above challenges Smale’s Problems in Machine Learning and Understanding for High-Performance Computing Scientific Discovery. The objective of our three-year research project is to develop a holistic innovation set at structure, assembly, and acceleration layers of machine learning algorithms to address the above challenges in algorithm deployment and execution. Three tasks are particularly performed, including: At the algorithm structure level, we investigate the techniques that can structurally sparsify on the topology of deep networks for computing workload reduction. We also study clustering and pruning techniques that can optimize the workload distributions over the extreme-scale computing platforms; At the algorithm assembly level, we derive a unified learning framework for unsupervised transfer learning and dynamic growing capabilities. Novel training methods are also exploited to enhance the training efficiency of the proposed framework; At the algorithm acceleration level, we will develop a series of techniques that can accelerate the computation of sparse matrix operations, which are one of the core executions in deep learning and optimize memory access of the concerned platforms. Our proposed techniques attack the fundamental problems in machine learning algorithms running on extreme-scale computing platforms by vertically integrating the solutions at three closely entangled layers, paving the long-term scaling path of machine learning applications under DOE context. Three tasks corresponding to the above respective research orientations are performed during the three-year project period with our collaborators at ORNL. The outcome of the proposed project is anticipated to form a holistic solution set of novel algorithms and network topologies, efficient training techniques, and fast acceleration methods to promote the computing scalability of the machine learning applications of particular interest to DOE.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2015

Superboom Caustic Analysis and Measurement Program (SCAMP) Final Report

The objectives of the Superboom Caustic Analysis and Measurement (SCAMP) Program were to develop and validate, via flight-test measurements, analytical models for sonic boom signatures in and around focal zones as they are expected to occur during commercial aircraft transition from subsonic to supersonic flight, and to apply these models to focus boom prediction of low-boom aircraft designs. The SCAMP program has successfully investigated sonic boom focusing both analytically and experimentally, while gathering a comprehensive empirical flight test and acoustic dataset, and developing a suite of focused sonic boom prediction tools. An experimental flight and acoustic measurement test was designed during the initial year of the SCAMP program, with execution of the SCAMP flight test occurring in May 2011. The current SCAMP team, led by Wyle, includes partners from the Boeing Company, Pennsylvania State University, Gulfstream Aerospace, Eagle Aeronautics, and Central Washington University. Numerous collaborators have also participated by supporting the experiment with human and equipment resources at their own expense. The experiment involved precision flight of a McDonnell Douglas (now Boeing) F-18B executing different maneuvers that created focused sonic booms. The maneuvers were designed to center on the flight regime expected for commercial supersonic aircraft transonic transition, and also span a range of caustic curvatures in order to provide a variety of conditions for code validations. The SCAMP experiment was designed to capture concurrent F-18B on-board flight instrumentation data, high-fidelity ground-based and airborne acoustic data, and surface and upper air meteorological data. Close coordination with NASA Dryden resulted in the development of new experimental instrumentation and techniques to facilitate the SCAMP flight-test execution, including the development of an F-18B Mach rate cockpit display, TG-14 powered glider in-flight sonic boom measurement instrumentation and "Where's the Focus?" (WTF) software for near-real time way-point computation accounting for local atmospherics. In May 2011, 13 F-18B flights were conducted during 5 flying days over a 2 week period. A densely populated 10,000 ft-long ground acoustic array with 125-ft microphone spacing was designed to capture pre-, focus, and post-focus regions. The ground-based acoustic array was placed in a nominally east-west orientation in the remote Cuddeback lakebed region, north of Edwards AFB. This area was carefully selected to avoid placing focused booms on populated areas or solar power facilities. For the SCAMP measurement campaign, approvals were obtained to temporarily extend the Black Mountain supersonic corridor northward by three miles. The SCAMP flight tests successfully captured 70 boom events, with 61 focus passes, and 9 calibration passes. Seventeen of the focus passes and three of the calibration passes were laterally offset; with the others being centerline flights. Airborne incoming sonic boom wave measurements were measured by the TG-14 for 10 of the F-18B flight passes including one maximum focus signature, several N-u combinations, several overlapped N-u signatures, and several evanescent waves. During the 27-month program, the SCAMP team developed a suite of integrated computer codes with sonic boom focusing predictive capabilities: PCBoom, Lossy Nonlinear Tricomi Equation Method (LNTE) and the Nonlinear Progressive wave Equation (NPE) method. PCBoom propagates the rays through the atmosphere and, in addition to legacy focus signature prediction based on the Gill-Seebass method, provides input source characteristics and propagation parameters to LNTE and NPE. LNTE, a Tricomi solver that incorporates atmospheric losses, computes the focus signature at the focus, and computes the focus signature in the vicinity of the focal zone, including the evanescent and post-focus zones. LNTE signature auralization from low-boom vehicle designs has been demonstrated in the NASA Langley Interior Effects Room (IER). The NPE has also been validated for use in prediction of focused ground boom signatures in sonic boom focal zones. The NPE formulation has the capability to incorporate atmospheric turbulence in the predictions. This has been applied to sonic boom propagation in the past. Prediction of turbulence effects on focal zone signatures was not, however, explored during the SCAMP program.

Page, Juliet↗
DOE OSTI2024

The Transactive Energy Network Template Metamodel

While transactive energy, which is defined as an allocation of electricity based on dynamically discovered values or prices, has been extensively studied, its uptake and use has been slow. This report describes a tool, the transactive network template, which should hasten the creation and uptake of transactive energy networks. Some basic principles of transactive energy are familiar from existing wholesale electricity markets. Locational prices are calculated today for zones within bulk electric transmission systems. Locational prices differ while accounting for the locational costs of electricity generation and the losses and constraints incurred when electricity is transmitted from generators and distributed to consumers. A transactive energy network might include these transmission zones. However, current research strives to apply transactive energy also in electricity distribution circuits, buildings, and even for individual generating and consuming devices. At the same time, researchers explore how to apply transactive energy in real time during increasingly shorter time intervals. Automated computational agents become necessary as transactive energy becomes applied to smaller circuit zones and at faster dynamic timescales. A transactive energy network is an example of a multi-agent system. Each zone in the network is represented by its transactive agent, which makes decisions for and acts on behalf of a business entity that is responsible for and manages one of the circuit regions. A transactive energy network is also an example of a decentralized, distributed control system. Control decisions and responsibilities are distributed among the network’s transactive agents. The transactive agents are independent; that is, there typically is no centralized authority or oversight function. Instead, transactive agents exchange transactive signals and thereby negotiate the prices and quantities of electricity that they will exchange. Initially, the circuit regions and responsibilities of transactive agents appear to be very dissimilar. Each circuit region may comprise transmission, distribution, or building-level circuits. Each has a unique position and electrical connectivity within the transactive energy network. Each possesses unique assets that either generate or consume electricity, and these (e.g., renewable energy generator, diesel generator, aggregate utility load, building load, space conditioning, refrigerator, etc.) may further differ in their price flexibility and in their strategies for responding to dynamic electricity prices. Given such diversity, an implementer’s first inclination might be to start from scratch to define all these devices and to engineer their seemingly unique interactions. Given that each implementer’s perspective may be narrow within a transactive energy network, it is unlikely that uniquely engineered systems would interact well. This is where the transactive network template is applicable. The transactive network template is a metamodel that has been developed to guide implementers as they configure their own transactive agent within a network of such agents. The object-oriented design of the transactive network template provides basic code object types that may be used and extended by implementers to represent each of the assets in their circuit region. These objects further facilitate the transactive agent’s necessary computations, which are divided among responsibilities to schedule power usage, balance electric supply and demand, and coordinate the exchange of electricity with the other transactive agents. This report addresses the conceptual transactive network template design. Implementers are directed to more formal design documents and reference implementations. A Python™-based1 reference implementation of the transactive network template has been coded, and three implementations have been configured to represent a national laboratory and two university campuses. Version 2 of the transactive node template generalizes the market class and its methods to facilitate multiple, and more diverse market coordination mechanisms than were facilitated by and demonstrated using Version 1. Version 3 includes new Appendix B, which addresses the designs of methods that would make dynamic prices track approved electricity rates. In the future, the author wishes to make the transactive network template more generally applicable to networks that require more accurate power flow. Development of the transactive network template is jointly funded by the U.S. Department of Energy (DOE) Energy Efficiency and Renewable Energy and the DOE Office of Electricity. In late 2015, one of the first projects to be funded by the DOE Grid Laboratory Modernization Laboratory Consortium was the Clean Energy and Transactive Campus project, led by Pacific Northwest National Laboratory. DOE funds were matched by an investment by the Washington Department of Commerce through its Clean Energy Fund. The transactive network template was developed to guide the implementation of transactive energy networks within this project’s scope.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2015

Python-Based Scientific Analysis and Visualization of Precipitation Systems at NASA Marshall Space Flight Center

At NASA Marshall Space Flight Center (MSFC), Python is used several different ways to analyze and visualize precipitating weather systems. A number of different Python‐based software packages have been developed, which are available to the larger scientific community. The approach in all these packages is to utilize pre‐existing Python modules as well as to be object‐oriented and scalable. The first package that will be described and demonstrated is the Python Advanced Microwave Precipitation Radiometer (AMPR) Data Toolkit, or PyAMPR for short. PyAMPR reads geolocated brightness temperature data from any flight of the AMPR airborne instrument over its 25‐year history into a common data structure suitable for user‐defined analyses. It features rapid, simplified (i.e., one line of code) production of quick‐look imagery, including Google Earth overlays, swath plots of individual channels, and strip charts showing multiple channels at once. These plotting routines are also capable of significant customization for detailed, publication‐ready figures. Deconvolution of the polarization‐varying channels to static horizontally and vertically polarized scenes is also available. Examples will be given of PyAMPR's contribution toward real‐time AMPR data display during the Integrated Precipitation and Hydrology Experiment (IPHEx), which took place in the Carolinas during May‐June 2014. The second software package is the Marshall Multi‐Radar/Multi‐Sensor (MRMS) Mosaic Python Toolkit, or MMM‐Py for short. MMM‐Py was designed to read, analyze, and display three‐dimensional national mosaicked reflectivity data produced by the NOAA National Severe Storms Laboratory (NSSL). MMM‐Py can read MRMS mosaics from either their unique binary format or their converted NetCDF format. It can also read and properly interpret the current mosaic design (4 regional tiles) as well as mosaics produced prior to late July 2013 (8 tiles). MMM‐Py can easily stitch multiple tiles together to provide a larger regional or national picture of precipitating weather systems. Composites, horizontal and vertical crosssections, and combinations thereof are easily displayed using as little as one line of code. MMM‐Py can also write to the native MRMS binary format, and sub‐sectioning of tiles (or multiple stitched tiles) is anticipated to be in place by the time of this meeting. Thus, MMM‐Py also can be used to power the creation of custom mosaics for targeted regional studies. Overlays of other data (e.g., lightning observations) are easily accomplished. Demonstrations of MMM‐Py, including the creation of animations, will be shown. Finally, Marshall has done significant work to interface Python‐based analysis routines with the U.S. Department of Energy's Py‐ART software package for radar data ingest, processing, and analysis. One example of this is the Python Turbulence Detection Algorithm (PyTDA), an MSFC‐based implementation of the National Center for Atmospheric Research (NCAR) Turbulence Detection Algorithm (NTDA) for the purposes of convective‐scale analysis, situational awareness, and forensic meteorology. PyTDA exploits Py‐ART's radar data ingest routines and data model to rapidly produce aviation‐relevant turbulence estimates from Doppler radar data. Work toward processing speed optimization and better integration within the Py‐ART framework will be highlighted. Python‐based analysis within the Py‐ART framework is also being done for new research related to intercomparison of ground‐based radar data with satellite estimates of ocean winds, as well as research on the electrification of pyrocumulus clouds.

Lang, Timothy J.↗
DOE OSTI2020

Predicting mesoscale spectral thermal conductivity using advanced deterministic phonon transport techniques

We present a review, demonstration and simulation of phonon transport for the purposes of predicting materials performance at the mesoscale. We focus primarily on the development and implementation of a unified methodology to enable predictive heat transport. We report on the current state of the art as it pertains to deterministic phonon transport methodologies, discussing various topics concerning phonons. In application, we focus on the Self-Adjoint Angular Flux (SAAF) formulation of the Boltzmann transport equation for phonons, and develop the spatial, angular, and material property discretization required to accurately simulate the predictive physics of heat transport in dielectrics. We discuss thermal interfacial resistance and present our formulation of the diffuse mismatch model for simulating phonon interactions at internal boundaries. We have recently developed a deterministic, spectral phonon transport method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$), using Bose-Einstein source terms coupled through an average material temperature. In this method, we introduce a closure term to the phonon transport system which acts as a redistribution function for the total energy of the system, and serves as a guide for the amount of non-equilibrium behavior occurring in the system. This method predicts thermal conductivity and equilibrium temperature distributions in homogeneous and heterogeneous materials using data generated by ab initio density functional theory methods. We employ polarization, density of states and full dispersion spectra to resolve thermal conductivity with numerous angular and spatial discretizations. Our implementation utilizes a Richardson iteration on a modified version of the phonon scattering source. The equations associated with this method are solved via a modification of traditional source iteration. We compare the performance of source iteration applied to an existing uncoupled, traditional SAAF method to our new method and comment on the iterative performance of each. We observe ballistic and diffusive phonon scattering as acoustic thickness of the domain changes, and are able to make comparisons between the accuracy and efficiency of both methods.

36 MATERIALS SCIENCE↗