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

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At least 73 records · Page 4

Sub-Doppler infrared spectroscopy of resonance-stabilized hydrocarbon intermediates: ν 3 / ν 4 CH stretch modes and CH 2 internal rotor dynamics of benzyl radical

Highly reactive benzyl radicals are generated by electron dissociative attachment to benzyl chloride doped into a neon–hydrogen–helium discharge and immediately cooled to T rot = 15 K in a high density, supersonic slit expansion environment. The sub-Doppler spectra are fit to an asymmetric-top rotational Hamiltonian, thereby yielding spectroscopic constants for the ground (v = 0) and first excited (v = 1, ν 3 , ν 4 ) vibrational levels of the ground electronic state. The rotational constants obtained for the ground state are in good agreement with previous laser induced fluorescence measurements (LIF), with vibrational band origins (ν 3 = 3073.2350 ± 0.0006 cm –1 , ν 4 = 3067.0576 ± 0.0006 cm –1 ) in agreement with anharmonically corrected density functional theory calculations. Furthermore, to assist in detection of benzyl radical in the interstellar medium, we have also significantly improved the precision of the ground state rotational constants through combined analysis of the ground state IR and LIF combination differences. Of dynamical interest, there is no evidence in the sub-Doppler spectra for tunneling splittings due to internal rotation of the CH 2 methylene subunit, which implies a significant rotational barrier consistent with partial double bond character in the CC bond. This is further confirmed with high level ab initio calculations at the CCSD(T)-f12b/ccpVdZ-f12 level, which predict a zero-point energy corrected barrier to internal rotation of ΔE tun ≈ 11.45 kcal mol –1 or 4005 cm –1 . In summary, the high-resolution infrared spectra are in excellent agreement with simple physical organic chemistry pictures of a strongly resonance-stabilized benzyl radical with a nearly rigid planar structure due to electron delocalization around the aromatic ring.

Kortyna, A.↗

Suppressing electron turbulence and triggering internal transport barriers with reversed magnetic shear in the National Spherical Torus Experiment

The National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)] can achieve high electron plasma confinement regimes that are super-critically unstable to the electron temperature gradient driven (ETG) instability. These plasmas, dubbed electron internal transport barriers (e-ITBs), occur when the magnetic shear becomes strongly negative. Using the gyrokinetic code GYRO [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)], the first nonlinear ETG simulations of NSTX e-ITB plasmas reinforce this observation. Local simulations identify a strongly upshifted nonlinear critical gradient for thermal transport that depends on magnetic shear. Global simulations show e-ITB formation can occur when the magnetic shear becomes strongly negative. Finally, while the ETG-driven thermal flux at the outer edge of the barrier is large enough to be experimentally relevant, the turbulence cannot propagate past the barrier into the plasma interior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Verification of gyrokinetic particle simulation of current-driven instability in fusion plasmas. I. Internal kink mode

The gyrokinetic toroidal code (GTC) capability has been extended for simulating internal kink instability with kinetic effects in toroidal geometry. The global simulation domain covers the magnetic axis, which is necessary for simulating current-driven instabilities. Here, GTC simulation in the fluid limit of the kink modes in cylindrical geometry is verified by benchmarking with a magnetohydrodynamic eigenvalue code. Gyrokinetic simulations of the kink modes in the toroidal geometry confirum that ion kinetic effects greatly reduce the growth rate even when the banana orbit width is much smaller than the radial width of the perturbed current layer at the mode rational surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SWIFT AND FERMI OBSERVATIONS OF X-RAY FLARES: THE CASE OF LATE INTERNAL SHOCK

Simultaneous Swift and Fermi observations of gamma-ray bursts (GRBs) offer a unique broadband view of their afterglow emission, spanning more than 10 decades in energy. We present the sample of X-ray flares observed by both Swift and Fermi during the first three years of Fermi operations. While bright in the X-ray band, X-ray flares are often undetected at lower (optical), and higher (MeV to GeV) energies. We show that this disfavors synchrotron self-Compton processes as the origin of the observed X-ray emission. We compare the broadband properties of X-ray flares with the standard late internal shock model, and find that in this scenario, X-ray flares can be produced by a late-time relativistic (Γ > 50) outflow at radii R ∼ 10{sup 13}-10{sup 14} cm. This conclusion holds only if the variability timescale is significantly shorter than the observed flare duration, and implies that X-ray flares can directly probe the activity of the GRB central engine.

79 ASTRONOMY AND ASTROPHYSICS↗

Effects of Al:Si and (Al+Na):Si Ratios on the Properties of the International Simple Glass, Part II: Structure

High-alumina containing high-level waste (HLW) will be vitrified at the Waste Treatment Plant at the Hanford Site. The resulting glasses, high in alumina, will have distinct composition-structure-property (C-S-P) relationships compared to previously studied HLW glasses. These C-S-P relationships determine the processability and product durability of glasses and therefore must be understood. The main purpose of this study is to understand the detailed structural changes caused by Al:Si and (Al+Na):Si substitutions in a simplified nuclear waste model glass (ISG, International Simple Glass) by combining experimental structural characterizations and molecular dynamics (MD) simulations. The structures of these two series of glasses were characterized by neutron total scattering and 27Al, 23Na, 29Si, and 11B solid-state nuclear magnetic resonance (NMR) spectroscopy. Additionally, MD simulations were used to generate atomistic structural models of the borosilicate glasses and simulation results were validated by the experimental structural data. Short-range (e.g., bond distance, coordination number, etc.) and medium-range (e.g., oxygen speciation, network connectivity, polyhedral linkages) structural features of the borosilicate glasses were systematically investigated as a function of the degree of substitution. The results show that bond distance and coordination number of the cation-oxygen pairs are relatively insensitive to Al:Si and (Al+Na):Si substitutions with the exception of the B-O pair. Additionally, the Al:Si substitution results in an increase of tri-bridging oxygen species, while (Al+Na):Si substitution creates non-bridging oxygen species. Charge compensator preferences were found for Si-[NBO] (Na+), [3]B-[NBO] (Na+), [4]B (mostly Ca2+), [4]Al (nearly equally split Na+ and Ca2+), and [6]Zr (mostly Ca2+). The network former-BO-network former linkages preferences were also tabulated; Si-O-Al and Al-O-Al were preferred at the expense of lower Si-O-[3]B and [3]B-O-[3]B linkages. These results provide insights on the structural origins of property changes such as glass transition temperature caused by the substitutions, providing a basis for future improvements of theoretical and computer simulation models.

Lu, Xiaonan↗

Application of High Performance Computing for Studying Cyclic Variability in Dilute Internal Combustion Engines

Combustion instabilities in dilute internal combustion engines are manifest in cyclic variability (CV) in engine performance measures such as integrated heat release or shaft work. Understanding the factors leading to CV is important in model-based control, especially with high dilution where experimental studies have demonstrated that deterministic effects can become more prominent. Observation of enough consecutive engine cycles for significant statistical analysis is standard in experimental studies but is largely wanting in numerical simulations because of the computational time required to compute hundreds or thousands of consecutive cycles. We have proposed and begun implementation of an alternative approach to allow rapid simulation of long series of engine dynamics based on a low-dimensional mapping of ensembles of single-cycle simulations which map input parameters to output engine performance. This paper details the use Titan at the Oak Ridge Leadership Computing Facility to investigate CV in a gasoline direct-injected spark-ignited engine with a moderately high rate of dilution achieved through external exhaust gas recirculation. The CONVERGE™ CFD software was used to perform single-cycle simulations with imposed variations of operating parameters and boundary conditions selected according to a sparse grid sampling of the parameter space. Using an uncertainty quantification technique, the sampling scheme is chosen similar to a design of experiments grid but uses algorithms designed to minimize the number of samples required to achieve a desired degree of accuracy. The simulations map input parameters to output metrics of engine performance for a single cycle, and by mapping over a large parameter space, results can be interpolated from within that space. This interpolation scheme forms the basis for a low-dimensional ‘metamodel’ (or model of a model) which can be used to mimic the dynamical behavior of corresponding high-dimensional simulations. Simulations of high-EGR spark-ignition combustion cycles within a parametric sampling grid were performed and analyzed statistically, and sensitivities of the physical factors leading to high CV are presented. With these results, the prospect of producing low-dimensional metamodels to describe engine dynamics at any point in the parameter space will be discussed. Additionally, modifications to the methodology to account for nondeterministic effects in the numerical solution environment are proposed.

Finney, Charles E. A.↗

International Arctic Systems for Observing the Atmosphere: An International Polar Year Legacy Consortium

International Arctic Systems for Observing the Atmosphere (IASOA) activities and partnerships were initiated as a part of the 2007–09 International Polar Year (IPY) and are expected to continue for many decades as a legacy program. The IASOA focus is on coordinating intensive measurements of the Arctic atmosphere collected in the United States, Canada, Russia, Norway, Finland, and Greenland to create synthesis science that leads to an understanding of why and not just how the Arctic atmosphere is evolving. The IASOA premise is that there are limitations with Arctic modeling and satellite observations that can only be addressed with boots-on-the-ground, in situ observations and that the potential of combining individual station and network measurements into an integrated observing system is tremendous. The IASOA vision is that by further integrating with other network observing programs focusing on hydrology, glaciology, oceanography, terrestrial, and biological systems it will be possible to understand the mechanisms of the entire Arctic system, perhaps well enough for humans to mitigate undesirable variations and adapt to inevitable change.

54 ENVIRONMENTAL SCIENCES↗

Peripheral Blood Transcript Signatures after Internal 131 I-mIBG Therapy in Relapsed and Refractory Neuroblastoma Patients Identifies Early and Late Biomarkers of Internal 131 I Exposures

131 I-metaiodobenzylguanidine ( 131 I-mIBG) is a targeted radiation therapy developed for the treatment of advanced neuroblastoma. We have previously shown that this patient cohort can be used to predict absorbed dose associated with early 131 I exposure, 72 h after treatment. We now expand these studies to identify gene expression differences associated with 131 I-mIBG exposure 15 days after treatment. Total RNA from peripheral blood lymphocytes was isolated from 288 whole blood samples representing 59 relapsed or refractory neuroblastoma patients before and after 131 I-mIBG treatment. We found that several transcripts predictive of early exposure returned to baseline levels by day 15, however, selected transcripts did not return to baseline. At 72 h, all 17 selected pathway-specific transcripts were differentially expressed. Transcripts CDKN1A (P < 0.000001), FDXR (P < 0.000001), DDB2 (P < 0.000001), and BBC3 (P < 0.000001) showed the highest up-regulation at 72 h after 131 I-mIBG exposure, with mean log2 fold changes of 2.55, 2.93, 1.86 and 1.85, respectively. At day 15 after 131I-mIBG, 11 of the 17 selected transcripts were differentially expressed, with XPC, STAT5B, PRKDC, MDM2, POLH, IGF1R, and SGK1 displaying significant up-regulation at 72 h and significant down-regulation at day 15. Interestingly, transcripts FDXR (P = 0.01), DDB2 (P = 0.03), BCL2 (P = 0.003), and SESN1 (P < 0.0003) maintained differential expression 15 days after 131 I-mIBG treatment. These results suggest that transcript levels for DNA repair, apoptosis, and ionizing radiation-induced cellular stress are still changing by 15 days after 131 I-mIBG treatment. Our studies showcase the use of biodosimetry gene expression panels as predictive biomarkers following early (72 h) and late (15 days) internal 131 I exposure. Our findings also demonstrate the utility of our transcript panel to differentiate exposed from non-exposed individuals up to 15 days after exposure from internal 131 I.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Promoting Domestic and International Consensus on Fossil Energy Technologies – Program Area 2: International Oil and Natural Gas

The Department of Energy's (DOE) Office of Fossil Energy's (FE) Office of Oil and Natural Gas (FE Oil & Gas) works to achieve a more secure energy future through the diversified supply of oil and natural gas resources while minimizing environmental impacts. FE Oil & Gas strives to ensure responsible development of these resources through research, policy analysis, regulation, and international leadership. The Office of Oil and Natural Gas supports research and policy options to ensure environmentally sustainable supplies of oil and natural gas for American consumers. The program conducts international activities that support environmental protection and safety of global oil and gas production. The program also oversees the import and export of oil and natural gas. USEA will help FE Oil & Gas to promote safe and responsible development of oil and natural gas in the United States and in other countries by sharing best practices and advanced technology. This will benefit the public by ensuring reliable, clean and affordable supplies of oil and natural gas in the United States.

02 PETROLEUM↗

Review of internal cyber attacks in nuclear facilities and an artificial neural network model for implementing internal cyberforensics

Deployment of digital technologies within a modern shift in cyber defense systems is essential for protecting the energy production units. One of the important components of defense is cyberforensics: once an attack has been detected to locate its origin. In this paper, a review of well-known cyberattacks in nuclear facilities is provided, with the lessons learned leading to the development of a machine learning approach implementing identification of internal at- tacks in the facility's data networks. Our approach may be seen as one of the layers in a defense-in-depth strategy that identifies if the attack comes from inside, which may result in identifying faster the attacker's origin. The presented model exploits network packet examination to cast accurate predictions on detailing the origin of malicious network connections. The approach fuses multiple mathematical functions within an artificial neural network to provide a response in the form of 0/1, i. e., whether the attack is identified as internal or not. The utilization of a variety of test cases is developed to explore the relevance and validity of the predictive approach. The proposed implementation is examined with network data packet variance, and the results obtained exhibit a highly accurate detection rate.

Nuclear Science & Technology↗

Static internal performance of single-expansion-ramp nozzles with various combinations of internal geometric parameters

The effects of five geometric design parameters on the internal performance of single-expansion-ramp nozzles were investigated at nozzle pressure ratios up to 10 in the static-test facility of the Langley 16-Foot Transonic Tunnel. The geometric variables on the expansion-ramp surface of the upper flap consisted of ramp chordal angle, ramp length, and initial ramp angle. On the lower flap, the geometric variables consisted of flap angle and flap length. Both internal performance and static-pressure distributions on the centerlines of the upper and lower flaps were obtained for all 43 nozzle configurations tested.

Re, R. J.↗

Analytical Assessment of a Gross Leakage Event Within the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS)

Results of the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS) gross leakage analysis are presented for evaluating total leakage flowrates and volume discharge caused by a gross leakage event (i.e. open boundary condition). A Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA/FLUINT) thermal hydraulic mathematical model (THMM) representing the Node 2 IATCS was developed to simulate system performance under steady-state nominal conditions as well as the transient flow effects resulting from an open line exposed to ambient. The objective of the analysis was to determine the adequacy of the leak detection software in limiting the quantity of fluid lost during a gross leakage event to within an acceptable level.

Holt, James M.↗

International Space Station Sustaining Engineering: A Ground-Based Test Bed for Evaluating Integrated Environmental Control and Life Support System and Internal Thermal Control System Flight Performance

As the International Space Station's (ISS) various habitable modules are placed in service on orbit, the need to provide for sustaining engineering becomes increasingly important to ensure the proper function of critical onboard systems. Chief among these are the Environmental Control and Life Support System (ECLSS) and the Internal Thermal Control System (ITCS). Without either, life onboard the ISS would prove difficult or nearly impossible. For this reason, a ground-based ECLSS/ITCS hardware performance simulation capability has been developed at NASA's Marshall Space Flight Center. The ECLSS/ITCS Sustaining Engineering Test Bed will be used to assist the ISS Program in resolving hardware anomalies and performing periodic performance assessments. The ISS flight configuration being simulated by the test bed is described as well as ongoing activities related to its preparation for supporting ISS Mission 5A. Growth options for the test facility are presented whereby the current facility may be upgraded to enhance its capability for supporting future station operation well beyond Mission 5A. Test bed capabilities for demonstrating technology improvements of ECLSS hardware are also described.

Ray, Charles D.↗

An Analysis of an Automatic Coolant Bypass in the International Space Station Node 2 Internal Active Thermal Control System

A challenging part of International Space Station (ISS) thermal control design is the ability to incorporate design changes into an integrated system without negatively impacting performance. The challenge presents itself in that the typical ISS Internal Active Thermal Control System (IATCS) consists of an integrated hardware/software system that provides active coolant resources to a variety of users. Software algorithms control the IATCS to specific temperatures, flow rates, and pressure differentials in order to meet the user-defined requirements. What may seem to be small design changes imposed on the system may in fact result in system instability or the temporary inability to meet user requirements. The purpose of this paper is to provide a brief description of the solution process and analyses used to implement one such design change that required the incorporation of an automatic coolant bypass in the ISS Node 2 element.

Clanton, Stephen E.↗

Assessment and Accommodation of Thermal Expansion of the Internal Active Thermal Control System Coolant During Launch to On-Orbit Activation of International Space Station Elements

The International Space Station (ISS) employs an Internal Active Thermal Control System (IATCS) comprised of several single-phase water coolant loops. These coolant loops are distributed throughout the ISS pressurized elements. The primary element coolant loops (i.e., US Laboratory module) contain a fluid accumulator to accommodate thermal expansion of the system. Other element coolant loops are parasitic (i.e., Airlock), have no accumulator, and require an alternative approach to insure that the system Maximum Design Pressure (MDP) is not exceeded during the Launch to Activation phase. During this time the element loop is a stand alone closed individual system. The solution approach for accommodating thermal expansion was affected by interactions of system components and their particular limitations. The mathematical solution approach was challenged by the presence of certain unknown or not readily obtainable physical and thermodynamic characteristics of some system components and processes. The purpose of this paper is to provide a brief description of a few of the solutions that evolved over time, a novel mathematical solution to eliminate some of the unknowns or derive the unknowns experimentally, and the testing and methods undertaken.

Edwards, J. Darryl↗

Analytical Assessment of a Gross Leakage Event Within the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS)

Results of the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS) gross leakage analysis are presented for evaluating total leakage flow rates and volume discharge caused by a gross leakage event (i.e. open boundary condition). A Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA85/FLUINT) thermal hydraulic mathematical model (THMM) representing the Node 2 IATCS was developed to simulate system performance under steady-state nominal conditions as well as the transient flow effect resulting from an open line exposed to ambient. The objective of the analysis was to determine the adequacy of the leak detection software in limiting the quantity of fluid lost during a gross leakage event to within an acceptable level.

Holt, James M.↗