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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Development of HELIOS/BIPR/PARCS/MCNP6 Computation Route for WWER RPV Neutron Fluence Analysis and Validation Against Ex-Vessel Detector Measurement Data

Here, a computational route was developed for precise calculation of fast neutron fluence on a WWER-type reactor pressure vessel (RPV). The method is based on the transfer of neutronics data from HELIOS-2 lattice calculations and nodal diffusion neutronics data (power, density, and temperature) from BIPR7.1 and PARCS 3.36/PATHS core calculations into a three-dimensional (pinwise axially distributed) fixed neutron source for modeling of transport of fast neutrons from the reactor core to the outer surface of the RPV using MCNP6.2. Validation of the proposed computational method was carried out based on comparative analysis of MCNP6.2-predicted and neutron dosimetry–measured reaction rates [ 54 Fe(n,p) 54 Мn, 93 Nb(n,n') 93 mNb, and 58 Ni(n,р) 58 Со] on the outer surface of the Armenian Nuclear Power Plant (ANPP) Unit 2 RPV. Validation revealed that the MCNP6.2-predicted fast neutron fluence results are very sensitive to the ENDF-B neutron data. Particularly, MCNP6.2 with ENDF/B-VIII.0 significantly underpredicts (20% to 30%) fast neutron fluence while using ENDF/B-VII.1 data overpredicts it. Adding revised beta-released evaluations of 54 Fe, 56 Fe, 57 Fe, and 16 O from the International Nuclear Data Evaluation Network (INDEN) to ENDF/B-VIII.0 allows one to obtain reasonable agreement with measurement results for all types of measured reaction rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Developing health-based pre-planning clearance goals for airport remediation following a chemical terrorist attack: Decision criteria for multipathway exposure routes

In the event of a chemical terrorist attack on a transportation hub, post-event remediation and restoration activities necessary to attain unrestricted facility re-use and re-entry could require hours to multiple days. While timeframes are dependent on numerous variables, a primary controlling factor is the level of pre-planning and decision-making completed prior to chemical release. What follows is the second of a two-part analysis identifying key considerations, critical information and decision criteria to facilitate post-attack and post-decontamination consequence management activities. Decision criteria analysis presented here provides first-time, open-literature documentation of multi-pathway, health-based remediation exposure guidelines for selected toxic industrial compounds, chemical warfare agents, and agent degradation products for pre-planning application in anticipation of a chemical terrorist attack. Guideline values are provided for inhalation and direct ocular vapor exposure routes as well as percutaneous vapor, surface contact, and ingestion. Target populations include various employees as well as transit passengers. This work has been performed as a national case study conducted in partnership with the Los Angeles International Airport and The Bradley International Terminal. All recommended guidelines have been selected for consistency with airport scenario release parameters of a one-time, short-duration, finite airborne release from a single source followed by compound-specific decontamination.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2012

A GAS-PHASE FORMATION ROUTE TO INTERSTELLAR TRANS-METHYL FORMATE

The abundance of methyl formate in the interstellar medium has previously been underpredicted by chemical models. Additionally, grain surface chemistry cannot account for the relative abundance of the cis- and trans-conformers of methyl formate, and the trans-conformer is not even formed at detectable abundance on these surfaces. This highlights the importance of studying formation pathways to methyl formate in the gas phase. The rate constant and branching fractions are reported for the gas-phase reaction between protonated methanol and formic acid to form protonated trans-methyl formate and water as well as adduct ion: Rate constants were experimentally determined using a flowing afterglow-selected ion flow tube apparatus at 300 K and a pressure of 530 mTorr helium. The results indicate a moderate overall rate constant of (3.19 {+-} 0.39) Multiplication-Sign 10{sup -10} cm{sup 3} s{sup -1} ({+-} 1{sigma}) and an average branching fraction of 0.05 {+-} 0.04 for protonated trans-methyl formate and 0.95 {+-} 0.04 for the adduct ion. These experimental results are reinforced by ab initio calculations at the MP2(full)/aug-cc-pVTZ level of theory to examine the reaction coordinate and complement previous density functional theory calculations. This study underscores the need for continued observational studies of trans-methyl formate and for the exploration of other gas-phase formation routes to complex organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Strong-field ionization of water. II. Electronic and nuclear dynamics en route to double ionization

We investigate the role of nuclear motion and strong-field-induced electronic couplings during the double ionization of deuterated water using momentum-resolved coincidence spectroscopy. By examining the three-body dicationic dissociation channel, D$^{+}$/D$^{+}$/O, for both few- and multi-cycle laser pulses, strong evidence for intra-pulse dynamics is observed. The extracted angle- and energy-resolved double ionization yields are compared to classical trajectory simulations of the dissociation dynamics occurring from different electronic states of the dication. In contrast with measurements of single photon double ionization, pronounced departure from the expectations for vertical ionization is observed, even for pulses as short as 10~fs in duration. We outline numerous mechanisms by which the strong laser field can modify the nuclear wavefunction en-route to final states of the dication where molecular fragmentation occurs. Specifically, we consider the possibility of a coordinate-dependence to the strong-field ionization rate, intermediate nuclear motion in monocation states prior to double ionization, and near-resonant laser-induced dipole couplings in the ion. These results highlight the fact that, for small and light molecules such as D$_2$O, a vertical-transition treatment of the ionization dynamics is not sufficient to reproduce the features seen experimentally in the strong field coincidence double-ionization data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Synthetic magnetohydrodynamics in Bose-Einstein condensates and routes to vortex nucleation

Engineering of synthetic magnetic flux in Bose-Einstein condensates [Lin et al., Nature (London) 462, 628 (2009)] has prospects for attaining the high vortex densities necessary to emulate the fractional quantum Hall effect. We analytically establish the hydrodynamical behavior of a condensate in a uniform synthetic magnetic field, including its density and velocity profile. Importantly, we find that the onset of vortex nucleation observed experimentally corresponds to a dynamical instability in the hydrodynamical solutions and reveal other routes to instability and anticipated vortex nucleation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Photon routing in cavity QED: Beyond the fundamental limit of photon blockade

The most simple and seemingly straightforward application of the photon blockade effect, in which the transport of one photon prevents the transport of others, would be to separate two incoming indistinguishable photons to different output ports. We show that time-energy uncertainty relations inherently prevent this ideal situation when the blockade is implemented by a two-level system. The fundamental nature of this limit is revealed in the fact that photon blockade in the strong coupling regime of cavity QED, resulting from the nonlinearity of the Jaynes-Cummings energy level structure, exhibits efficiency and temporal behavior identical to those of photon blockade in the bad cavity regime, where the underlying nonlinearity is that of the atom itself. We demonstrate that this limit can be exceeded, yet not avoided, by exploiting time-energy entanglement between the incident photons. Finally, we show how this limit can be circumvented completely by using a three-level atom coupled to a single-sided cavity, enabling an ideal and robust photon routing mechanism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Generalised route to effective field theories for quantum systems with local constraints

Some of the exciting phenomena uncovered in strongly correlated systems in recent years – for instance quantum topological order, deconfined quantum criticality and emergent gauge symmetries – appear in systems where the Hilbert space is effectively projected at low energies in a way that imposes local constraints on the original degrees of freedom. Cases in point include spin liquids, valence bond systems, dimer and vertex models. In this work, we use a slave boson description coupled to a large- S path integral formulation to devise a generalised route to obtain effective field theories for such systems. We demonstrate the validity and capability of our approach by studying quantum dimer models and by comparing our results with the existing literature.Field theoretic approaches to date are limited to bipartite lattices, they depend on a gauge-symmetric under-standing of the constraint, and lack generic quantitative predictive power for the coefficients of the terms that appear in the Lagrangians of these systems. Our method overcomes all these shortcomings and we show how the results up to quadratic order compare with the known height description of the square lattice quantum dimer model, as well as with the numerical estimate of the speed of light of the photon excitations on the diamond lattice. Lastly, instanton considerations allow us to infer properties of the finite temperature behaviour in two dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Divergent synthesis routes and superconductivity of ternary hydride MgSiH 6 at high pressure

We predict a new ternary hydride MgSiH6 under high pressures, which is a metal with an ionic feature and takes on a simple cubic structure with space group Pm-3 above 250 GPa. Our first-principles calculations show that the cubic MgSiH 6 is a potential high-temperature superconductor with a superconducting transition temperature T c of ~ 63 K at 250 GPa. Further analysis suggests that phonon softening along mainly Γ-X and Γ-M directions induced by Fermi surface nesting plays a crucial role in the high-temperature superconductivity. Herein we propose the “triangle straight-line method” which provides a clear guide to determine the specific A + B → D type formation routes for ternary hydrides of the Mg-Si-H system and it effectively reveals two divergent paths to obtain MgSiH6 under high pressures: MgH 2 + SiH 4 → MgSiH 6 and MgSi + 3H 2 → MgSiH 6 . This method might be applicable to all ternary compounds, which will be very significant for further experimental synthesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Route to Attosecond Nonlinear Spectroscopy

We demonstrate generation of coherent microjoule-scale, low-order harmonic supercontinua in the deep and vacuum ultraviolet (4-9 eV), resulting from the nonlinear transformations of near-single-cycle laser pulses in a gas cell. We show theoretically that their formation is connected to a novel nonlinear regime, holding promise for the generation of powerful deep-UV and vacuum ultraviolet subfemtosecond pulses. Our work opens the route to pump-probe spectroscopy of subfemtosecond-scale valence-shell phenomena in atoms, molecules, and condensed matter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Multiplicative Shot-Noise: A New Route to Stability of Plastic Networks

Fluctuations of synaptic weights, among many other physical, biological, and ecological quantities, are driven by coincident events of two “parent” processes. Here we propose a multiplicative shot-noise model that can capture the behaviors of a broad range of such natural phenomena, and analytically derive an approximation that accurately predicts its statistics. We apply our results to study the effects of a multiplicative synaptic plasticity rule that was recently extracted from measurements in physiological conditions. Using mean-field theory analysis and network simulations, we investigate how this rule shapes the connectivity and dynamics of recurrent spiking neural networks. The multiplicative plasticity rule is shown to support efficient learning of input stimuli, and it gives a stable, unimodal synaptic-weight distribution with a large fraction of strong synapses. The strong synapses remain stable over long times but do not “run away.” Our results suggest that the multiplicative shot-noise offers a new route to understand the tradeoff between flexibility and stability in neural circuits and other dynamic networks.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A new route to obtain fluorescence X-ray absorption spectra of compounds and to remove the self-absorption induced nonlinearity in the spectra

A new route to obtain fluorescence X-ray absorption spectra of compounds and to remove the self-absorption induced nonlinearity in the spectra is described. The fluorescent intensity If is linearly proportional to the absorption coefficient μ. For studies of surface structures around an element (κ) the fluorescence detection is often the mode of choice. However, the measurement may suffer from a self-absorption (SA) effect which nonlinearly distorts the spectra. The effect is severe when κ is concentrated or the measurements are carried out in certain geometries. Here, the correlations among emission events in compounds are examined following resonance X-ray core-electron excitation within κ. Under conditions leading to SA, If emitted from κ apparently has a conjugated relationship with the fluorescent intensities simultaneously emitted from other elements (ξ). Normalizing the former (κ) by the latter (ξ) will largely remove SA effects and reduce this nonlinear problem to a tractable linear problem. This does result in a moderate reduction of the spectral amplitude due to the so-called secondary emission from ξ excited by the emission from κ. Nonetheless, the resulting spectra will allow one to accurately determine bond distances and disorder and, in some respects, can be superior to spectra obtained via the absorption channel. For μξ < μκ and grazing incidence geometry, the amplitude reduction can be small and simple normalization is sufficient to restore the spectral integrity with remarkable accuracy. This has been instrumental in unravelling the surface and subsurface structures around cations in amorphous Ga–In–O and Zn–Sn–O films which are otherwise inaccessible due to severe SA effects. This method has also been applied to several samples with μξ ≃ μκ to examine its applicability. For these samples, the amplitude reduction is 12 ± 4% versus their standards for the data measured with the classical 45°/45° geometry. This experimental method is easy to implement. Since If from κ and ξ are measured by the same detector system, it is also superior to other methods in removing systematic errors such as detector system nonlinearity, electronic noise, and some beam instabilities, and in removing spectral imperfections due to, for example, SA effects, diffraction effects and sample inhomogeneity. The distortions resulting from the latter can be severe in the spectra measured in transmission mode.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Moving Target Defense Routing for SDN-enabled Smart Grid

The increasing attack surface area in the smart grid communication networks is making the grid more susceptible to cyber attacks that can lead to instability of the grid and even blackouts. While there are multiple types of cyber attacks that can impact the grid, Denial of Service (DoS) attacks are relatively easier to inject as they require lesser knowledge about the system as compared to data integrity attacks. Various research works showcase methods to prevent or mitigate the impacts of DoS attacks in the smart grid but the research still lacks in demonstrating the feasibility and efficacy of the solutions in a real-world environment. In this paper, we propose a Moving Target Defense (MTD)-enabled Software Defined Network (SDN) for the Smart Grid communication implemented on a Hardwarein- the-Loop (HIL) Testbed. We showcase the implementation of the proposed architecture of MTD-enabled SDN using Mininet 2.3.0 which enables communication between the physical grid and the control center. The results show the advantages of using MTD based on SDN for the wide-area network (WAN) with much lower packet drop percentages in the case of MTD-based routing in the SDN WAN. Index Terms—SDN,

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Optimized System for On-Route Fast Charging of Battery-Electric Shuttle Buses

Electrifying cars, buses, and trucks is an attractive means of reducing energy use and emissions because it involves more efficient drivetrain components and minimal restructuring of the transportation network. Transit buses, driving fixed routes, help minimize driver range anxiety by properly sizing energy storage systems. A major challenge to fully electrifying transit buses is providing the amount of energy they consume in a day of driving. To enable a full day of operation without charging, batteries need to be large, which could be expensive and heavy. This work utilizes real-world transit bus data used in a battery-electric drivetrain model to co-optimize charger locations, charger power levels, and vehicle battery sizes.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

Investigation of Nd x Y 0.25-x Zr 0.75 O 1.88 inert matrix fuel materials made by a co-precipitation synthetic route

Yttria-stabilized zirconia (YSZ) is a material that we are considering in our inert matrix fuel nuclear reactors, but a complete characterization of these materials is required for them to be licensed for use. A series of NdxY0.25–xZr0.75O1.88 materials have been synthesized using a co-precipitation method, and the thermal stability of these materials has been studied by annealing them at 1400 and 1500 °C. (Nd was used as surrogate for Am.) The long-range and local structures of the materials were characterized via powder X-ray diffraction, scanning electron microscopy, wavelength dispersive spectroscopy, and X-ray absorption spectroscopy at the Zr K- and Y K-edges. These results were compared with the previous characterization of Nd-YSZ materials synthesized using a ceramic method. Moreover, the results indicated that the ordering in the local metal–oxygen polyhedral remains relatively unaffected by the synthetic method, but there was increased long-range disorder in the materials prepared by the co-precipitation method. Further, it was found that the materials produced by the co-precipitation method were unexpectedly unstable when annealed at high temperature. This study highlights the importance of determining the effect of synthetic method on material properties and demonstrates how the co-precipitation route could be used to produce inert matrix fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

End-to-end data movement using MPI-IO over routed terabits infrastructures. In: NDM '13 Proceedings of the Third International Workshop on Network-Aware Data Management, Article No. 9

Scientific discovery is nowadays driven by large-scale simulations running on massively parallel high-performance computing (HPC) systems. These applications each generate a large amount of data, which then needs to be post-processed for example for data mining or visualization. Unfortunately, the computing platform used for post processing might be different from the one on which the data is initially generated, introducing the challenge of moving large amount of data between computing platforms. This is especially challenging when these two platforms are geographically separated since the data needs to be moved between computing facilities. This is even more critical when scientists tightly couple their domain specific applications with a post processing application. The paper presents a solution for the data transfer between MPI applications using a dedicated wide area network (WAN) terabit infrastructure. The proposed solution is based on parallel access to data files and the Message Passing Interface (MPI) over the Common Communication Infrastructure (CCI) for the data transfer over a routed infrastructure. In the context of this research, the Energy Sciences Network (ESnet) of the U.S. Department of Energy (DOE) is targeted for the transfer of data between DOE national laboratories.

Vallée, Geoffroy↗
DOE OSTI2017

Route Sanitizer: Connected Vehicle Trajectory De-Identification Tool

Route Sanitizer is ORNL's connected vehicle moving object database de-identification tool and a graphical user interface to ORNL's connected vehicle de-identification algorithm. It uses the Google Chrome (soon to be Electron) platform so it will run on different computing platforms. The basic de-identification strategy is record redaction: portions of a vehicle trajectory (e.g. sequences of precise temporal spatial records) are removed. It does not alter retained records. The algorithm uses custom techniques to find areas within trajectories that may be considered private, then it suppresses those in addition to enough of the trajectory surrounding those locations to protect against "inference attacks" in a mathematically sound way. Map data is integrated into the process to make this possible.

Carter, JasonM↗
DOE OSTI2019

Routing and Infrastructure simulation for Shared Electric vehicles (RISE)

FERIS is an agent-based model that simulates the activity of a fleet of electric taxis in a metropolitan area. Agent activities include serving trips, rebalancing to anticipate future demand, and relocating to charge. The modeling framework allows researchers to study the impact of different routing algorithms, battery range, and charging infrastructure on fleet performance, energy consumption, environmental impact, and cost of service.

Bauer, Gordon↗
DOE OSTI2022

Vessel Routing And Suitability Tool

The purpose of this tool is to assist harbor traffic controllers in routing vessel traffic into appropriate ports and piers in an emergency in the Hawaiian Islands. The user inputs information about a vessel coming to port, and the tool returns a list of appropriate options for the vessel to berth within the Hawaiian Islands. Additionally, the application can be used to store cargo data for tracking what locations can be used to lay down cargo in an emergency situation.

Reichenberger, RachelL.↗