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At least 1,603 records · Page 89

Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models (Final Report)

This report describes the high-level accomplishments from the Plasma Science and Engineering Grand Challenge LDRD at Sandia National Laboratories. The Laboratory has a need to demonstrate predictive capabilities to model plasma phenomena in order to rapidly accelerate engineering development in several mission areas. The purpose of this Grand Challenge LDRD was to advance the fundamental models, methods, and algorithms along with supporting electrode science foundation to enable a revolutionary shift towards predictive plasma engineering design principles. This project integrated the SNL knowledge base in computer science, plasma physics, materials science, applied mathematics, and relevant application engineering to establish new cross-laboratory collaborations on these topics. As an initial exemplar, this project focused efforts on improving multi-scale modeling capabilities that are utilized to predict the electrical power delivery on large-scale pulsed power accelerators. Specifically, this LDRD was structured into three primary research thrusts that, when integrated, enable complex simulations of these devices: (1) the exploration of multi-scale models describing the desorption of contaminants from pulsed power electrodes, (2) the development of improved algorithms and code technologies to treat the multi-physics phenomena required to predict device performance, and (3) the creation of a rigorous verification and validation infrastructure to evaluate the codes and models across a range of challenge problems. These components were integrated into initial demonstrations of the largest simulations of multi-level vacuum power flow completed to-date, executed on the leading HPC computing machines available in the NNSA complex today. These preliminary studies indicate relevant pulsed power engineering design simulations can now be completed in (of order) several days, a significant improvement over pre-LDRD levels of performance.

42 ENGINEERING↗

Folding Coarse-Grained Oligomer Models with PyRosetta

Non-biological foldamers are a promising class of macromolecules that share similarities to classical biopolymers such as proteins and nucleic acids. Currently, designing novel foldamers is a non-trivial process, often involving many iterations of trial synthesis and characterization until folded structures are observed. In this work, we aim to tackle these foldamer design challenges using computational modeling techniques. We developed CG PyRosetta, an extension to the popular protein folding python package, PyRosetta, which introduces coarse-grained (CG) residues into PyRosetta, enabling the folding of toy CG foldamer models. Although these models are simplified, they can help explore overarching physical hypotheses about how oligomers can form. Through systematic variation of CG parameters in these models, we can investigate various folding hypotheses at the CG scale to inform the design process of new foldamer chemistries. In this study, we demonstrate CG PyRosetta’s ability to identify minimum energy structures with a diverse structural search over a range of simple models, as well as two hypothesis-driven parameter scans investigating the effects of side-chain size and internal backbone angle on secondary structures. We are able to identify several types of secondary structures from single- and double-helices to sheet-like and knot-like structures. Here, we show how side-chain size and backbone bond angle both play an important role in the structure and energetics of these toy models. Optimal side-chain sizes promote favorable packing of side chains, while specific backbone bond angles influence the specific helix type found in folded structures.

36 MATERIALS SCIENCE↗

Magnetic field of Jupiter: A generalized inverse approach

The estimation of planetary magnetic fields from observations of the magnetic field gathered along a spacecraft flyby trajectory is examined with the aid of generalized inverse techniques, with application to the internal magnetic field of Jupiter. Model nonuniqueness resulting from the limited spatial extent of the observations and noise on the data is explored and quantitative estimates of the model parameter resolution are found. The presence of a substantial magnetic field of external origin due to the currents flowing in the Jovian magnetodisc is found to be an important source of error in estimates of the internal Jovian field, and new models explicitly incorporating these currents are proposed. New internal field models are derived using the vector helium magnetometer observations and the high field fluxgate observations of Pioneer 11, and knowledge of the external current system gained from the Pioneer 10 and Voyagers 1 and 2 encounters.

Connerney, J. E. P.↗

Mars 94 Mission: Current plans and science

The Soviet Space Program proposes large-scale investigations of Mars as one of the most important trends for the next 10 to 15 years. The objectives include global studies of the surface of Mars, its atmosphere, and the return of soil samples to Earth. The first stage of the program is to be implemented in the mid-90s. It includes measurements from an orbiter and a balloon in the atmosphere and on the surface from a rover as well. This can be done using the high energy upper stage of the launch vehicle. The payload mass could amount to about 1500 to 1700 kg. The capabilities of the Mars Mission in 1994 are discussed. As presently planned, Mars will be studied concurrently with the following facilities: an orbiter with instruments for remote sensing from a polar orbit; a balloon deployed in the Martian atmosphere; a rover on the surface; a network of smaller stations on the surface; a subsatellite; and a device to return a container with photo films of the Martian surface taken with a super high resolution. If the exploration of Mars with the MARS-94 spacecraft begins late in 1994 the American Mars-Observer will still be functioning in the near-Mars orbit. Thus, joint operation of the two satellites becomes possible providing coordinated exploration, the creation of joint data banks, joint data interpretation, and the development of a joint engineering model of Mars for its further exploration. There is an opportunity for experiments and instrumentation on the Soviet missions that address questions of interest to exobiology. American scientists are invited to participate in the upcoming Soviet missions, and lend expertise to further understanding of the relationship between the physical and chemical evolution of the solar system and the appearance of life.

Mukhin, Lev↗

Evolving UMM-S to Better Accommodate NASA EOSDIS Web User Interfaces and Downloadable Tools for Data Use

EOSDIS has a services metadata model that is growing too complex and trying to serve multiple use cases. A potential solution being explored is to break out the model for front-end and back-end use cases. This talk will discuss how best to accommodate web user interfaces and downloadable tools in NASA's Common Metadata Repository (CMR) and how to model this information for improved discovery centered around the user experience (UI/UX) approach. The challenges and strategy for addressing the evolution of the model will be discussed along with a proposed path forward for implementation.

User Experience↗

Aerothermodynamic Testing of the Crew Exploration Vehicle in the LaRC 20-Inch Mach 6 and 31-Inch Mach 10 Tunnels

An experimental wind tunnel program is being conducted in support of a NASA wide effort to develop a Space Shuttle replacement and to support the Agency s long term objective of returning to the Moon and Mars. This article documents experimental measurements made on several scaled ceramic heat transfer models of the proposed Crew Exploration Vehicle Crew Module. The experimental data highlighted in this article are to be used to assess numerical tools that will be used to generate the flight aerothermodynamic database. Global heat transfer images and heat transfer distributions were obtained over a range of freestream Reynolds numbers and angles of attack with the phosphor thermography technique. Heat transfer data were measured on the forebody and afterbody and were used to infer the heating on the vehicle as well as the boundary layer state on the forebody surface. Several model support configurations were assessed to minimize potential support interference. In addition, the ability of the global phosphor thermography method to provide quantitative heating measurements in the low temperature environment of the capsule base region was assessed. While naturally fully developed turbulent levels were not obtained on the forebody, the use of boundary layer trips generated fully developed turbulent flow. Laminar and turbulent computational results were shown to be in good agreement with the data. Backshell testing demonstrated the ability to obtain data in the low temperature region as well as demonstrating the lack of significant model support hardware influence on heating.

Berger, Karen T.↗

Aerothermodynamic Testing of the Crew Exploration Vehicle in the LaRC 20-Inch Mach 6 and 31-Inch Mach 10 Tunnels

An experimental wind tunnel program is being conducted in support of a NASA wide effort to develop a Space Shuttle replacement and to support the Agency s long term objective of returning to the Moon and Mars. This report documents experimental measurements made on several scaled ceramic heat transfer models of the proposed Crew Exploration Vehicle Crew Module. The experimental data highlighted in this test report are to be used to assess numerical tools that will be used to generate the flight aerothermodynamic database. Global heat transfer images and heat transfer distributions were obtained over a range of freestream Reynolds numbers and angles of attack with the phosphor thermography technique. Heat transfer data were measured on the forebody and afterbody and were used to infer the heating on the vehicle as well as the boundary layer state on the forebody surface. Several model support configurations were assessed to minimize potential support interference. In addition, the ability of the global phosphor thermography method to provide quantitative heating measurements in the low temperature environment of the capsule base region was assessed. While naturally fully developed turbulent levels were not obtained on the forebody, the use of boundary layer trips generated fully developed turbulent flow. Laminar and turbulent computational results were shown to be in good agreement with the data. Backshell testing demonstrated the ability to obtain data in the low temperature region as well as demonstrating the lack of significant model support hardware influence on heating.

Berger, Karen T.↗

Modeling of vortex generated sound in solid propellant rocket motors

There is considerable evidence based on both full scale firings and cold flow simulations that hydrodynamically unstable shear flows in solid propellant rocket motors can lead to acoustic pressure fluctuations of significant amplitude. Although a comprehensive theoretical understanding of this problem does not yet exist, procedures were explored for generating useful analytical models describing the vortex shedding phenomenon and the mechanisms of coupling to the acoustic field in a rocket combustion chamber. Since combustion stability prediction procedures cannot be successful without incorporation of all acoustic gains and losses, it is clear that a vortex driving model comparable in quality to the analytical models currently employed to represent linear combustion instability must be formulated.

Flandro, G. A.↗

Coxsackievirus B4 sewage-isolate induces pancreatitis after oral infection of mice

ABSTRACT Numerous serotypes which belong to the genus Enterovirus (EV) show variability in their virulence and clinical manifestations. They are also known to undergo changes caused by mutations and recombination during their circulation in the environment and the population. Various EV serotypes are prevalent in groundwater, wastewater and surface waters. Our previous studies showed that oral infection induces pancreatitis depending on specific conditions, such as gravidity, in an outbred murine model. Our aim in the present study was to further explore the pancreatic histopathology in an outbred mouse model following oral infection with clinical isolates from a patient who had aseptic meningitis and an isolate from a treated-sewage sample recovered from the residential area of the patient. The isolates were identified as coxsackievirus B4 (CVB4) in tissue culture. The CVB4 sewage-isolate induced pancreatitis after oral infection. In contrast, pancreatitis was absent following infection with the clinical isolates. Comparison of polyprotein sequences showed that the treated-sewage strains differed from the patient's isolates by 9 and 11 amino acids. We conclude that the isolates of clinical and environmental origin differed in their pathogenic properties and showed genetic variation.

Benkoova, Brigita↗

Hierarchies of Models: Toward Understanding Planetary Nebulae

Stars like our sun (initial masses between 0.8 to 8 solar masses) end their lives as swollen red giants surrounded by cool extended atmospheres. The nuclear reactions in their cores create carbon, nitrogen and oxygen, which are transported by convection to the outer envelope of the stellar atmosphere. As the star finally collapses to become a white dwarf, this envelope is expelled from the star to form a planetary nebula (PN) rich in organic molecules. The physics, dynamics, and chemistry of these nebulae are poorly understood and have implications not only for our understanding of the stellar life cycle but also for organic astrochemistry and the creation of prebiotic molecules in interstellar space. We are working toward generating three-dimensional models of planetary nebulae (PNe), which include the size, orientation, shape, expansion rate and mass distribution of the nebula. Such a reconstruction of a PN is a challenging problem for several reasons. First, the data consist of images obtained over time from the Hubble Space Telescope (HST) and spectra obtained from Kitt Peak National Observatory (KPNO) and Cerro Tololo Inter-American Observatory (CTIO). These images are of course taken from a single viewpoint in space, which amounts to a very challenging tomographic reconstruction. Second, the fact that we have two disparate and orthogonal data types requires that we utilize a method that allows these data to be used together to obtain a solution. To address these first two challenges we employ Bayesian model estimation using a parameterized physical model that incorporates much prior information about the known physics of the PN. In our previous works we have found that the forward problem of the comprehensive model is extremely time consuming. To address this challenge, we explore the use of a set of hierarchical models, which allow us to estimate increasingly more detailed sets of model parameters. These hierarchical models of increasing complexity are akin to scientific theories of increasing sophistication, with each new model/theory being a refinement of a previous one by either incorporating additional prior information or by introducing a new set of parameters to model an entirely new phenomenon. We apply these models to both a simulated and a real ellipsoidal PN to initially estimate the position, angular size, and orientation of the nebula as a two-dimensional object and use these estimates to later examine its three-dimensional properties. The efficiency/accuracy tradeoffs of the techniques are studied to determine the advantages and disadvantages of employing a set of hierarchical models over a single comprehensive model.

Knuth, Kevin H.↗

Hierarchies of Models: Toward Understanding Planetary Nebulae

Stars like our sun (initial masses between 0.8 to 8 solar masses) end their lives as swollen red giants surrounded by cool extended atmospheres. The nuclear reactions in their cores create carbon, nitrogen and oxygen, which are transported by convection to the outer envelope of the stellar atmosphere. As the star finally collapses to become a white dwarf, this envelope is expelled from the star to form a planetary nebula (PN) rich in organic molecules. The physics, dynamics, and chemistry of these nebulae are poorly understood and have implications not only for our understanding of the stellar life cycle but also for organic astrochemistry and the creation of prebiotic molecules in interstellar space. We are working toward generating three-dimensional models of planetary nebulae (PNe), which include the size, orientation, shape, expansion rate and mass distribution of the nebula. Such a reconstruction of a PN is a challenging problem for several reasons. First, the data consist of images obtained over time from the Hubble Space Telescope (HST) and spectra obtained from Kitt Peak National Observatory (KPNO) and Cerro Tololo Inter-American Observatory (CTIO). These images are of course taken from a single viewpoint in space, which amounts to a very challenging tomographic reconstruction. Second, the fact that we have two disparate and orthogonal data types requires that we utilize a method that allows these data to be used together to obtain a solution. To address these first two challenges we employ Bayesian model estimation using a parameterized physical model that incorporates much prior information about the known physics of the PN. In our previous works we have found that the forward problem of the comprehensive model is extremely time consuming. To address this challenge, we explore the use of a set of hierarchical models, which allow us to estimate increasingly more detailed sets of model parameters. These hierarchical models of increasing complexity are akin to scientific theories of increasing sophistication, with each new model/theory being a refinement of a previous one by either incorporating additional prior information or by introducing a new set of parameters to model an entirely new phenomenon. We apply these models to both a simulated and a real ellipsoidal PN to initially estimate the position, angular size, and orientation of the nebula as a two-dimensional object and use these estimates to later examine its three-dimensional properties. The efficiency/accuracy tradeoffs of the techniques are studied to determine the advantages and disadvantages of employing a set of hierarchical models over a single comprehensive model.

Knuth, Kevin H.↗

Development of a Ground Test and Analysis Protocol to Support NASA's NextSTEP Phase 2 Habitation Concepts

The NASA Next Space Technologies for Exploration Partnerships (NextSTEP) program is a public-private partnership model that seeks commercial development of deep space exploration capabilities to support extensive human spaceflight missions around and beyond cislunar space. NASA first issued the Phase 1 NextSTEP Broad Agency Announcement to U.S. industries in 2014, which called for innovative cislunar habitation concepts that leveraged commercialization plans for low Earth orbit. These habitats will be part of the Deep Space Gateway (DSG), the cislunar space station planned by NASA for construction in the 2020s. In 2016, Phase 2 of the NextSTEP program selected five commercial partners to develop ground prototypes. A team of NASA research engineers and subject matter experts have been tasked with developing the ground test protocol that will serve as the primary means by which these Phase 2 prototype habitats will be evaluated. Since 2008, this core test team has successfully conducted multiple spaceflight analog mission evaluations utilizing a consistent set of operational products, tools, methods, and metrics to enable the iterative development, testing, analysis, and validation of evolving exploration architectures, operations concepts, and vehicle designs. The purpose of implementing a similar evaluation process for the NextSTEP Phase 2 Habitation Concepts is to consistently evaluate the different commercial partner ground prototypes to provide data-driven, actionable recommendations for Phase 3.

Beaton, Kara H.↗

Development of a Ground Test and Analysis Protocol for NASA's NextSTEP Phase 2 Habitation Concepts

The NASA Next Space Technologies for Exploration Partnerships (NextSTEP) program is a public-private partnership model that seeks commercial development of deep space exploration capabilities to support human spaceflight missions around and beyond cislunar space. NASA first issued the Phase 1 NextSTEP Broad Agency Announcement to U.S. industries in 2014, which called for innovative cislunar habitation concepts that leveraged commercialization plans for low-Earth orbit. These habitats will be part of the Deep Space Gateway (DSG), the cislunar space station planned by NASA for construction in the 2020s. In 2016, Phase 2 of the NextSTEP program selected five commercial partners to develop ground prototypes. A team of NASA research engineers and subject matter experts (SMEs) have been tasked with developing the ground-test protocol that will serve as the primary means by which these Phase 2 prototypes will be evaluated. Since 2008, this core test team has successfully conducted multiple spaceflight analog mission evaluations utilizing a consistent set of operational tools, methods, and metrics to enable the iterative development, testing, analysis, and validation of evolving exploration architectures, operations concepts, and vehicle designs. The purpose of implementing a similar evaluation process for the Phase 2 Habitation Concepts is to consistently evaluate different commercial partner ground prototypes to provide data-driven, actionable recommendations for Phase 3. This paper describes the process by which the ground test protocol was developed and the objectives, methods, and metrics by which the NextSTEP Phase 2 Habitation Concepts will be rigorously and systematically evaluated. The protocol has been developed using both a top-down and bottom-up approach. Top-down development began with the Human Exploration and Operations Mission Directorate (HEOMD) exploration objectives and ISS Exploration Capability Study Team (IECST) candidate flight objectives. Strategic questions and associated rationales, derived from these candidate architectural objectives, provide the framework by which the ground-test protocol will address the DSG stack elements and configurations, systems and subsystems, and habitation, science, and EVA functions. From these strategic questions, high-level functional requirements for the DSG were drafted and associated ground-test objectives and analysis protocols were established. Bottom-up development incorporated objectives from NASA SMEs in autonomy, avionics and software, communication, environmental control and life support systems, exercise, extravehicular activity, exploration medical operations, guidance navigation and control, human factors and behavioral performance, human factors and habitability, logistics, Mission Control Center operations, power, radiation, robotics, safety and mission assurance, science, simulation, structures, thermal, trash management, and vehicle health. Top-down and bottom-up objectives were integrated to form overall functional requirements - ground-test objectives and analysis mapping. From this mapping, ground-test objectives were organized into those that will be evaluated through inspection, demonstration, analysis, subsystem standalone testing, and human-in-the-loop (HITL) testing. For the HITL tests, mission-like timelines, procedures, and flight rules have been developed to directly meet ground test objectives and evaluate specific functional requirements. Data collected from these assessments will be analyzed to determine the acceptability of habitation element configurations and the combinations of capabilities that will result in the best habitation platform to be recommended by the test team for Phase 3.

Gernhardt, Michael L.↗

Fifteen-minute Extravehicular Activity Prebreathe Protocol Using NASA's Exploration Atmosphere (8.2 psia/ 34% 02)

A TBDM DCS probability model based on an existing biophysical model of inert gas bubble growth provides significant prediction and goodness-of-fit with 84 cases of DCS in 668 human altitude exposures. 2. Model predictions suggest that 15-minute O2 prebreathe protocols used in conjunction with suit ports and an 8.2 psi, 34% O2, 66% N2 atmosphere may enable rapid EVA capability for future exploration missions with the risk of DCS ≤ 12%.  EVA could begin immediately at 6.0 psi, with crewmembers decreasing suit pressure to 4.3 psi after completing the 15-minute in-suit prebreathe. 3. Model predictions suggest that intermittent recompression during exploration EVA may reduce decompression stress by 1.8% to 2.3% for 6 hours of total EVA time. Savings in gas consumables and crew time may be accumulated by abbreviating the EVA suit N2 purge to 2 minutes (20% N2) compared with 8 minutes (5% N2) at the expense of an increase in estimated decompression risk of up to 2.4% for an 8-hour EVA.  Increased DCS risk could be offset by IR or by spending additional time at 6 psi at the beginning of the EVA.  Savings of 0.48 lb of gas and 6 minutes per person per EVA corresponds to more than 31 hours of crew time and 1800 lb of gas and tankage under the Constellation lunar architecture. 6. Further research is needed to characterize and optimize breathing mixtures and intermittent recompression across the range of environments and operational conditions in which astronauts will live and work during future exploration missions. 7. Development of exploration prebreathe protocols will begin with definition of acceptable risk, followed by development of protocols based on models such as ours, and, ultimately, validation of protocols through ground trials before operational implementation.

Abercromby, Andrew F. J.↗

Theoretical Investigation of OCN(-) Charge Transfer Complexes in Condensed Phase Media: Spectroscopic Properties in Amorphous Ice

Density functional theory (DFT) calculations of cyanate (OCN(-)) charge-transfer complexes were performed to model the "XCN" feature observed in interstellar icy grain mantles. OCN(-) charge-transfer complexes were formed from precursor combinations of HNCO or HOCN with either NH3 or H2O. Three different solvation strategies for realistically modeling the ice matrix environment were explored, including (1) continuum solvation, (2) pure DFT cluster calculations, and (3) an ONIOM DFT/PM3 cluster calculation. The model complexes were evaluated by their ability to reproduce seven spectroscopic measurements associated with XCN: the band origin of the OCN(-) asymmetric stretching mode, shifts in that frequency due to isotopic substitutions of C, N, O, and H, plus two weak features. The continuum solvent field method produced results consistent with some of the experimental data but failed to account for other behavior due to its limited capacity to describe molecular interactions with solvent. DFT cluster calculations successfully reproduced the available spectroscopic measurements very well. In particular, the deuterium shift showed excellent agreement in complexes where OCN(-) was fully solvated. Detailed studies of representative complexes including from two to twelve water molecules allowed the exploration of various possible solvation structures and provided insights into solvation trends. Moreover, complexes arising from cyanic or isocyanic acid in pure water suggested an alternative mechanism for the formation of OCN(-) charge-transfer complexes without the need for a strong base such as NH3 to be present. An extended ONIOM (B3LYP/PM3) cluster calculation was also performed to assess the impact of a more realistic environment on HNCO dissociation in pure water.

Park, Jin-Young↗

Probing lepton flavor violation at Circular Electron-Positron Colliders

Lepton flavor violation is one of the cleanest probes of physics beyond the standard model. In this work, we explore the sensitivity of the process e + e – → τμ to new physics above the TeV scale at the proposed circular electron-positron colliders FCC-ee and CEPC. We compute the e + e – → τμ cross-section in the Standard Model Effective Field Theory and assess the relevant backgrounds. We compare our sensitivity projections to existing and expected constraints from tau decays and Z decays and find that the future electron-positron colliders provide competitive probes of new physics. We highlight the complementarity of searches for resonant e + e – → Z → τμ production on the Z pole and searches for non-resonant e + e – → τμ at higher center-of-mass energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Using DAPPER to extract the photon strength function of 58 Fe using the inverse Oslo and shape methods

The photon strength function of 58 Fe has been extracted using both the Oslo and Shape methods from particle–γ coincidence data measured using the Detector Array for Photons, Protons, and Exotic Residues, which probes nuclei utilizing (d,p) reactions in inverse kinematics. Four particle–γ coincidence matrices, each constructed with different treatments of the γ–ray energies, are explored in order to observe the impact on the resulting nuclear level density and photon strength. The final photon strength function reported is found to agree well with previous Oslo measurements of other iron isotopes. Systematic uncertainties are included, using different model parameters and their reported errors to perform the Oslo method normalization. The model-independent Shape method is explored and the functional form of the photon strength function obtained is in agreement with the Oslo method results. A low-energy enhancement is not reported for 58 Fe in this work given possible subtraction issues originating from strongly populated states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Using DAPPER to extract the photon strength function of 58Fe using the inverse Oslo and shape methods

The photon strength function of 58 Fe has been extracted using both the Oslo and Shape methods from particle-γ coincidence data measured using the Detector Array for Photons, Protons, and Exotic Residues, which probes nuclei utilizing (d,p) reactions in inverse kinematics. Four particle-γ coincidence matrices, each constructed with different treatments of the γ-ray energies, are explored in order to observe the impact on the resulting nuclear level density and photon strength. The final photon strength function reported is found to agree well with previous Oslo measurements of other iron isotopes. Systematic uncertainties are included, using different model parameters and their reported errors to perform the Oslo method normalization. The model-independent Shape method is explored and the functional form of the photon strength function obtained is in agreement with the Oslo method results. A low-energy enhancement is not reported for 58 Fe in this work given possible subtraction issues originating from strongly populated states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗