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At least 469 records · Page 26

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NASA NTRS1999

Early Events in the Folding of an Amphipathic Peptide A Multi- Nanosecond Molecular Dynamics Study

Folding of the capped LQQLLQQLLQL peptide is investigated at the water-hexane interface by molecular dynamics simulations over 161.5 nanoseconds. Initially placed in the aqueous phase as a beta-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presence of non-amphipathic structures throughout the complete trajectory indicate- that the corresponding conformations are strongly disfavored at the interface. It is further suggestive that folding in an interfacial environment proceeds through a pathway of successive amphipathic intermediates. The energetic and entropic penalties involved in the conformational changes along this pathway markedly increase the folding time-scales of LQQLLQQLLQL, explaining why the alpha-helix, the hypothesized lowest free energy structure for a sequence with a hydrophobic periodicity of 3.6, has not been reached yet. The formation of a type I beta-turn at the end of the simulation confirms the importance of such motifs as initiation sites allowing the peptide to coalesce towards a secondary structure.

Chipot, Christophe↗

DOE OSTI2019

Identification of Performance Shaping Factor Lag and Linger Effects for Dynamic Human Reliability Analysis: Application of Experimental Data

Many researchers have emphasized the importance of dynamic probabilistic safety assessment (PSA), which highlights the necessity of studies for dynamic human reliability analysis (HRA). Dynamic HRA concentrates on a dynamic account of human actions or how performance shaping factors (PSFs) can dynamically modify the human error probability (HEP) over time. In contrast, existing static HRA does not consider human actions as changes over time or event progressions. Accordingly, previous research on dynamic HRA conceptually suggested PSF lag and linger effects to treat dependence between operator actions in dynamic HRA versus existing approaches. As follow-up research, this study attempted to identify PSF lag and linger effects for dynamic HRA on the basis of experimental data. Firstly, mathematical models for PSF lag and linger effects were developed based on a literature survey in the field of biology. Secondly, we analyzed experimental scenarios from a control room study to identify operator actions considered in PSA. Lastly, based on the experimental data, the effect of the stress PSF with lag and linger effects was compared to that without PSF lag and linger effects. This paper concludes with an overall discussion of PSF lag and linger effects based on the relation between the stress PSF and error occurrence.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2019

Impact Damage Tolerance of Composite Laminates with Through-The-Thickness Stitches

The ability of through-the-thickness stitches to contain damage during a low-velocity impact event and increase the residual strength of stitched panels was investigated in this research. The impact response, spread of interlaminar delaminations, dent depth, surface damage, and static residual strength after impact were studied for carbon-epoxy specimens fabricated from HTS40 TohoTenax standard modulus fibers, stitched together with Vectran 1200 denier thread and infused with API 1078 resin after through-the-thickness stitching. Three different stitch patterns were used to explore the ability to arrest impact damage during and after impact. Simply supported boundary conditions were maintained during the impact testing. Non-destructive evaluations were performed using ultrasonic C-scans and X-ray computed tomography (CT) imaging to determine the shape, size, and location of delaminations. Results indicate that while the dynamic response during the impact event was almost the same for the unstitched specimens and all stitch patterns considered, the extent of delamination and the compression strength after impact varied greatly. For both the 60 J and 80 J impact energies, the delamination area was significantly less for the stitched specimens than for the unstitched specimens, but the range of delamination areas among the stitch patterns was much larger for the lower impact energy than for the greater impact energy. Similarly, while the presence of stitching influenced the compression after impact strength, the strength values for all stitch patterns were very similar. These results are a step toward quantifying the influence of through-the-thickness stitching.

Ranatunga, Vipul↗

NASA NTRS2002

A Bayesian Approach to Estimating Coupling Between Neural Components: Evaluation of the Multiple Component, Event-Related Potential (mcERP) Algorithm

Accurate measurement of single-trial responses is key to a definitive use of complex electromagnetic and hemodynamic measurements in the investigation of brain dynamics. We developed the multiple component, Event-Related Potential (mcERP) approach to single-trial response estimation. To improve our resolution of dynamic interactions between neuronal ensembles located in different layers within a cortical region and/or in different cortical regions. The mcERP model assets that multiple components defined as stereotypic waveforms comprise the stimulus-evoked response and that these components may vary in amplitude and latency from trial to trial. Maximum a posteriori (MAP) solutions for the model are obtained by iterating a set of equations derived from the posterior probability. Our first goal was to use the ANTWERP algorithm to analyze interactions (specifically latency and amplitude correlation) between responses in different layers within a cortical region. Thus, we evaluated the model by applying the algorithm to synthetic data containing two correlated local components and one independent far-field component. Three cases were considered: the local components were correlated by an interaction in their single-trial amplitudes, by an interaction in their single-trial latencies, or by an interaction in both amplitude and latency. We then analyzed the accuracy with which the algorithm estimated the component waveshapes and the single-trial parameters as a function of the linearity of each of these relationships. Extensions of these analyses to real data are discussed as well as ongoing work to incorporate more detailed prior information.

Shah, Ankoor S.↗

DOE OSTI2025

Radiation Imaging with Event Camera

Neuromorphic or event-based imaging is a new, commercially available sensor technology inspired by how the human eye works. Instead of measuring frames at a fixed rate, the camera measures changes in pixel intensity asynchronously. This difference in readout architecture results in a high dynamic range and low latency. Event-based cameras have been used in a variety of applications, including object tracking, navigation, and lidar technologies. However, event-based cameras have not been adequately researched for their ability to image high-energy particles. This report explores the use of an event camera for imaging alpha, beta, and X-rays particles, when coupled with scintillator screens to convert high-energy particles into visible light. Methods to process event data were developed and are presented here, along with the results. The event camera can measure alpha and beta particles with comparable performance to that of a conventional camera. Event cameras can also image higher-activity sources and offer the possibility of discriminating particle interaction types on the basis of timing differences, which typical cameras cannot do. Additionally, event cameras can image objects with an X-ray source when the source strength dynamically changes but does not create a high-contrast image during static X-ray measurement.

47 OTHER INSTRUMENTATION↗

NASA NTRS1985

Determination of inverted-V stability from Dynamics Explorer satellite data

The longevity of a number of inverted-V electron precipitation events was measured by comparing electron distributions acquired from the two Dynamics Explorer spacecraft during close proximity passes through the southern auroral zone. Common events were identified in the two data sets for time separations up to 18 min. The maximum energy attained within an inverted-V sometimes varied between observations indicating growth or decay of the event. The number of events increasing in energy was roughly equal to those exhibiting decreasing energy, suggesting similar time scales for growth and decay. Observations closely spaced in time (minutes) had some events not in common, implying either a sudden cessation of the event or a limited spatial extent precluding observation by one of the two spacecraft due to its orbital displacement. A statistical study of 28 close proximity passes showed that the number of matched inverted-V events exceeded those which were unmatched. This was not true for comparisons of random pairs of electron distribution plots for the two spacecraft. This implies that the close proximity events observed by both spacecraft were not just random coincidences.

Thieman, J. R.↗

DOE OSTI2022

Digital coded exposure formation of frames from event-based imagery

Abstract Event-driven neuromorphic imagers have a number of attractive properties including low-power consumption, high dynamic range, the ability to detect fast events, low memory consumption and low band-width requirements. One of the biggest challenges with using event-driven imagery is that the field of event data processing is still embryonic. In contrast, decades worth of effort have been invested in the analysis of frame-based imagery. Hybrid approaches for applying established frame-based analysis techniques to event-driven imagery have been studied since event-driven imagers came into existence. However, the process for forming frames from event-driven imagery has not been studied in detail. This work presents a principled digital coded exposure approach for forming frames from event-driven imagery that is inspired by the physics exploited in a conventional camera featuring a shutter. The technique described in this work provides a fundamental tool for understanding the temporal information content that contributes to the formation of a frame from event-driven imagery data. Event-driven imagery allows for the application of arbitrary virtual digital shutter functions to form the final frame on a pixel-by-pixel basis. The proposed approach allows for the careful control of the spatio-temporal information that is captured in the frame. Furthermore, unlike a conventional physical camera, event-driven imagery can be formed into any variety of possible frames in post-processing after the data is captured. Furthermore, unlike a conventional physical camera, coded-exposure virtual shutter functions can assume arbitrary values including positive, negative, real, and complex values. The coded exposure approach also enables the ability to perform applications of industrial interest such as digital stroboscopy without any additional hardware. The ability to form frames from event-driven imagery in a principled manner opens up new possibilities in the ability to use conventional frame-based image processing techniques on event-driven imagery.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Machine learning–based extreme event attribution

The observed increase in extreme weather has prompted recent methodological advances in extreme event attribution. We propose a machine learning–based approach that uses convolutional neural networks to create dynamically consistent counterfactual versions of historical extreme events under different levels of global mean temperature (GMT). We apply this technique to one recent extreme heat event (southcentral North America 2023) and several historical events that have been previously analyzed using established attribution methods. We estimate that temperatures during the southcentral North America event were 1.18° to 1.42°C warmer because of global warming and that similar events will occur 0.14 to 0.60 times per year at 2.0°C above preindustrial levels of GMT. Additionally, we find that the learned relationships between daily temperature and GMT are influenced by the seasonality of the forced temperature response and the daily meteorological conditions. Our results broadly agree with other attribution techniques, suggesting that machine learning can be used to perform rapid, low-cost attribution of extreme events.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Site-specific interrogation of an ionic chiral fragment during photolysis using an X-ray free-electron laser

Abstract Short-wavelength free-electron lasers with their ultrashort pulses at high intensities have originated new approaches for tracking molecular dynamics from the vista of specific sites. X-ray pump X-ray probe schemes even allow to address individual atomic constituents with a ‘trigger’-event that preludes the subsequent molecular dynamics while being able to selectively probe the evolving structure with a time-delayed second X-ray pulse. Here, we use a linearly polarized X-ray photon to trigger the photolysis of a prototypical chiral molecule, namely trifluoromethyloxirane (C 3 H 3 F 3 O), at the fluorine K-edge at around 700 eV. The created fluorine-containing fragments are then probed by a second, circularly polarized X-ray pulse of higher photon energy in order to investigate the chemically shifted inner-shell electrons of the ionic mother-fragment for their stereochemical sensitivity. We experimentally demonstrate and theoretically support how two-color X-ray pump X-ray probe experiments with polarization control enable XFELs as tools for chiral recognition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

An Event-Based Approach to Distributed Diagnosis of Continuous Systems

Distributed fault diagnosis solutions are becoming necessary due to the complexity of modern engineering systems, and the advent of smart sensors and computing elements. This paper presents a novel event-based approach for distributed diagnosis of abrupt parametric faults in continuous systems, based on a qualitative abstraction of measurement deviations from the nominal behavior. We systematically derive dynamic fault signatures expressed as event-based fault models. We develop a distributed diagnoser design algorithm that uses these models for designing local event-based diagnosers based on global diagnosability analysis. The local diagnosers each generate globally correct diagnosis results locally, without a centralized coordinator, and by communicating a minimal number of measurements between themselves. The proposed approach is applied to a multi-tank system, and results demonstrate a marked improvement in scalability compared to a centralized approach.

Daigle, Matthew↗

NASA NTRS1995

The solar/interplanetary event of 14 April 1994 observed by Yohkoh/SXT

The polar crown event of April 14 1994 is one of the largest scale eruptive events observed by the Yohkoh/SXT. Associated with the formation of an arcade of soft X-ray loops at the Sun was the detection of an interplanetary forward/reverse shock event by the Ulysses spacecraft some 4-7 days later. The relationship between the coronal and interplanetary signatures of these events is important if we are to address fully the initialization and consequent acceleration of interplanetary phenomena, such as CMEs and counter-streaming electrons, originating at the Sun. From detailed analysis of the energetics of the arcade formed during the eruption of April 14 1994, we find peak temperatures and emission measures of approximately 5MK and approximately 10(exp 48)cm(exp -3) respectively. The total thermal content of the arcade loop structure observed in soft X-rays is calculated to be some 5 x 10(exp 29) ergs. The development of these parameters as the event proceeds and their relationship to the dynamics of the eruption are investigated. Although spanning a longitudinal range of some 150 degrees the April 14 event displayed the typical helmet streamer structure normally associated with coronal mass ejections These helmet streamers are thought to be related to the global solar magnetic field through the heliospheric current sheet (HCS). The arcade formation, together with the eruption of material into interplanetary space, signifies a large-scale reconfiguration of the coronal magnetic field. We examine the effects of the formation of such a coronal arcade structure on the HCS and discuss the dynamics involved with the passage of a large scale disturbance through the interplanetary magnetic field.

Alexander, D.↗

DOE OSTI2024

Exploring the synergy of kinematics and dynamics for collider physics

In collider experiments, an event is characterized by two distinct yet mutually complementary features: the “global features” and the “local features.” Kinematic information such as the event topology of a hard process, masses, and spins of particles comprises global features spanning the entire phase space. This global feature can be inferred from reconstructed objects. In contrast, representations of particles in gauge groups, such as quantum chromodynamics (QCD), offer localized features revealing the dynamics of an underlying theory. These local features, particularly observed in the patterns of radiation as raw data in various detector components, complement the global kinematic features. We propose a simple but effective neural network architecture that seamlessly integrates information from both kinematics and QCD to enhance the signal sensitivity at colliders. Published by the American Physical Society 2024

Ban, Kayoung (ORCID:000000019691877X)↗

DOE OSTI2022

Adatom-Driven Oxygen Intermixing during the Deposition of Oxide Thin Films by Molecular Beam Epitaxy

Thin film deposition from the vapor phase is a complex process involving adatom adsorption, movement, and incorporation into the growing film. While simulations have been able to capture key aspects of these processes to reproduce film morphology, these models typically ignore any subsurface diffusion that occurs. The results of these diffusion and intermixing processes are often observed experimentally, but cannot be explained by invoking bulk lattice diffusion at the deposition temperature. In this work, we present quantitative experimental data that reveals anion and cation intermixing over long length scales during the deposition of epitaxial Fe 2 O 3 and Cr 2 O 3 films and heterostructures by oxygen-plasma-assisted molecular beam epitaxy. We track this diffusion by incorporating well-defined tracer layers containing 18 O and/or 57 Fe, and measure their redistribution on the nanometer scale with atom probe tomography. Molecular dynamics simulations suggest potential intermixing events, which are then examined via nudged elastic band calculations. These reveal that adatoms on the film surface act to “pull up” subsurface O and Fe. Subsequent ring-like rotation mechanisms involving both adatom and subsurface anions then facilitate their mixing. A simple model incorporating these events qualitatively agrees with the experimental intermixing results. In addition to film deposition, these intermixing mechanisms may to be operant during other surface-mediated processes such as heterogeneous catalysis and corrosion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Decentralized modular hybrid supervisory control for the formation of unmanned helicopters

Abstract Formation control of Unmanned Aerial Vehicles (UAVs) requires them to tightly cooperate to reach and keep the formation, while avoiding collision. This paper proposes a novel decentralized hybrid supervisory control approach for the formation control of multiple UAVs. This is achieved by developing a symbolic motion planning technique to polarly partition the motion space resulting in a finite state discrete event model for the motion dynamics of each UAV. Then, a modular discrete supervisor is designed for different components of the formation mission including reaching the formation, keeping the formation, and collision avoidance. Further, for the collision avoidance mechanism, a novel top‐down decomposition‐based approach is developed to design local supervisors decentralizedly. It is formally proved that with the proposed top‐down decomposition‐based approach, the (locally) supervised UAVs, as a whole, can cooperatively satisfy the desired (global) collision avoidance specification. The proposed decentralized supervisory control algorithm is also verified through a hardware‐in‐the‐loop simulator for the formation control of unmanned helicopters.

Karimoddini, Ali↗

DOE OSTI2020

The influence of boundary and edge-plasma modeling in computations of axisymmetric vertical displacement

A number of previously published studies apply extended-MHD computations to model macroscopic dynamics of tokamak vertical displacement events (VDEs). The characteristic plasma-wall contact and resistive-wall diffusion imply sensitivity to boundary conditions in a general sense, but which conditions have significant influence depends on how the plasma is modeled. This work examines these dependencies by comparing results of axisymmetric extended-MHD computations with different sets of boundary conditions, plasma thermal-conduction models, and wall resistivity values. The geometry and plasma parameters of the computations represent a modest-sized tokamak. The forced-displacement scenario and computational setup are similar to those used in previous 3D computations. The results show that for a given wall resistivity, the VDE time-scale is most sensitive to variations in the boundary and thermal-conduction parameters that affect electron thermal transport. The electrical conductivity depends on electron temperature, and the dependence on thermal transport stems from its influence on the electrical circuit that includes the open-field halo current. Lastly, conditions that lead to hotter, broader halo regions slow the evolution. Significant sensitivity to the boundary condition on plasma flow-velocity exists when electron thermal conduction is restricted and electron energy loss is convective, which is expected for conditions at the entrance of the magnetic presheath.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

DEHP− extractant binding to trivalent lanthanide Er3+: Fast binding accompanied by concerted angular motions of hydration water

Solvent extraction of trivalent rare earth metal ions by organophosphorus extractants proceeds via binding of phosphoric acid headgroups to the metal ion. Water molecules in the tightly bound first hydration shell of the metal ions must be displaced by oxygen atoms from phosphoric acid headgroups. Here, we use classical molecular dynamics simulations to explore the event in which a fully hydrated Er3+ binds to its first phosphoric acid headgroup. Approach of the headgroup into the region between the first and second hydration shells leads to a fast ejection of a water molecule that is accompanied by reordering of the hydration water molecules, including discretization of their angular positions and collective rotation about the metal ion. The water molecule ejected from the first shell is located diametrically opposite from the binding oxygen. Headgroup binding places a headgroup oxygen closer to Er3+ than its first hydration shell and creates a loosely bound water that subsequently exchanges between the first shell and its environment. This second exchange of water also occurs at discrete angular positions. This geometrical aspect of binding may be of relevance to understanding the binding and transport of ion–extractant complexes that are expected to occur at the organic–aqueous liquid–liquid interface used in solvent extraction processes.

Chemistry↗

DOE OSTI2021

MHD simulations of cold bubble formation from 2/1 tearing mode during massive gas injection in a tokamak

Massive gas injection (MGI) experiments have been carried out in many tokamaks to study disruption dynamics and mitigation schemes. Two events often observed in those experiments are the excitation of the m = 2, n = 1 magnetohydrodynamic mode, and the formation of cold bubble structure in the temperature distribution before the thermal quench (TQ). Here m is the poloidal mode number, n the toroidal mode number. The physics mechanisms underlying those phenomena, however, have not been entirely clear. In this work, our recent NIMROD simulations of the MGI process in a tokamak have reproduced the main features of both events, which has allowed us to examine and establish the causal relation between them. In these simulations, the 3/1 and 2/1 islands are found to form successively after the arrival of impurity ion cold front at the corresponding q = 3 and q = 2 rational surfaces. At the interface between impurity and plasma, a local thin current sheet forms due to an enhanced local pressure gradient and moves inward following the gas cold front, this may contribute to the formation of a dominant 2/1 mode. Following the growth of the 2/1 tearing mode, the impurity penetration into the core region inside the q = 2 surface gives rise to the formation of the cold bubble temperature structure and initiates the final TQ. Here, a subdominant 1/1 mode developed earlier near the q = 1 surface alone does not cause such a cold bubble formation, however, the exact manner of the preceding impurity penetration depends on the nature of the 1/1 mode: kink-tearing or quasi-interchange.

2/1 tearing mode↗

DOE OSTI2021

Utilization of event shape in search of the chiral magnetic effect in heavy-ion collisions

The search for the chiral magnetic effect (CME) has been a subject of great interest in the field of high-energy heavy-ion collision physics, and various observables have been proposed to probe the CME. Experimental observables are often contaminated with background contributions arising from collective motions (specifically elliptic flow) of the collision system. We present a method study of event-shape engineering (ESE) that projects the CME-sensitive γ 112 correlator and its variations (γ 132 and γ 123 ) to a class of events with minimal flow. We discuss the realization of the zero-flow mode, the sensitivity on the CME signal, and the corresponding statistical significance for Au + Au, Ru + Ru, and Zr + Zr collisions at √s NN = 200 GeV with a multiphase transport model, as well as a new event generator, event-by-event anomalous-viscous fluid dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗