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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Rapid Variability Generated at Relativistic Shocks Simulated by Particle-in- Cell Code

Plasma instabilities excited in collisionless shocks are responsible for particle acceleration. We have investigated the particle acceleration and shock structure associated with an unmagnetized relativistic electronpositron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. These magnetic fields contribute to the electrons transverse deflection behind the shock. We calculate the radiation from deflected electrons in the turbulent magnetic fields. Radiation from electrons near the trailing shock will be variable due to fluctuations of density and electromagnetic fields. The properties of this radiation may be important for rapid variability in relativistic jets such as AGN jets and blazars.

Nishikawal, Ken-Ichi↗
NASA NTRS2010

Simulation of Relativistic Shocks and Associated Self-Consistent Radiation for GRB Prompt Emission and Afterglows

Plasma instabilities excited in collisionless shocks are responsible for particle acceleration. We have investigated the particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. This simulation corresponds to a case for gamma-ray burst afterglows. We will simulate colliding shells as an internal shock model for prompt emission. Turbulent magnetic fields generated by a slower shell will be collided by a faster shell. These magnetic fields contribute to the electron s transverse deflection behind the shock. We calculate the radiation from deflected electrons in the turbulent magnetic fields. The properties of this radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts

Nishikawa, Ken-Ichi↗
NASA NTRS2012

Constraints on Cosmic Rays, Magnetic Fields, and Dark Matter from Gamma-ray Observations of the Coma Cluster of Galaxies with VERITAS and FERMI

Observations of radio halos and relics in galaxy clusters indicate efficient electron acceleration. Protons should likewise be accelerated and, on account of weak energy losses, can accumulate, suggesting that clusters may also be sources of very high energy (VHE; E greater than100 GeV) gamma-ray emission. We report here on VHE gamma-ray observations of the Coma galaxy cluster with the VERITAS array of imaging Cerenkov telescopes, with complementing Fermi Large Area Telescope observations at GeV energies. No significant gamma-ray emission from the Coma Cluster was detected. Integral flux upper limits at the 99 confidence level were measured to be on the order of (2-5) x 10(sup -8) photons m(sup -2) s(sup -1) (VERITAS,greater than 220 GeV) and approximately 2 x 10(sup -6) photons m(sup -2) s(sup -1) (Fermi, 1-3 GeV), respectively. We use the gamma-ray upper limits to constrain cosmic rays (CRs) and magnetic fields in Coma. Using an analytical approach, the CR-to-thermal pressure ratio is constrained to be less than 16% from VERITAS data and less than 1.7% from Fermi data (averaged within the virial radius). These upper limits are starting to constrain the CR physics in self-consistent cosmological cluster simulations and cap the maximum CR acceleration efficiency at structure formation shocks to be 50. Alternatively, this may argue for non-negligible CR transport processes such as CR streaming and diffusion into the outer cluster regions. Assuming that the radio-emitting electrons of the Coma halo result from hadronic CR interactions, the observations imply a lower limit on the central magnetic field in Coma of approximately (2-5.5)microG, depending on the radial magnetic field profile and on the gamma-ray spectral index. Since these values are below those inferred by Faraday rotation measurements in Coma (for most of the parameter space), this renders the hadronic model a very plausible explanation of the Coma radio halo. Finally, since galaxy clusters are dark matter (DM) dominated, the VERITAS upper limits have been used to place constraints on the thermally averaged product of the total self-annihilation cross section and the relative velocity of the DM particles, (sigma upsilon)

cosmic↗
NASA NTRS2016

Rippled Quasiperpendicular Shock Observed by the Magnetospheric Multiscale Spacecraft

Collisionless shock nonstationarity arising from microscale physics influences shock structure and particle acceleration mechanisms. Nonstationarity has been difficult to quantify due to the small spatial and temporal scales. We use the closely spaced (subgyroscale), high-time-resolution measurements from one rapid crossing of Earths quasiperpendicular bow shock by the Magnetospheric Multiscale (MMS) spacecraft to compare competing nonstationarity processes. Using MMSs high-cadence kinetic plasma measurements, we show that the shock exhibits nonstationarity in the form of ripples.

Johlander, A.↗
NASA NTRSDate not supplied

Methodology and Development of SLS Ascent Boost Phase Loads

The methodologies and development of the loads experienced in the boost phase of ascent flight of the NASA Space Launch System (SLS) Block I vehicle will be presented in this paper. As is common practice, a series of fixed time/mass finite element models of the vehicle were developed for the purpose of evaluating the structural loads and accelerations for particular Mach ranges associated with the boost phase of flight. Load contributors, which vary between Mach bins, include the flight mechanics induced portion of the loads (e.g., Static-Elastic (STEL) or Vehicle Load Indicator (VLI) tool results), gust loads, buffet loads, solid rocket motor thrust oscillations, maneuvering loads, and preplanned test input induced loads. Each of these load contributors will be examined in this paper, as well as the boost phase loads combination equation used to generate the final loads.

SLS↗
NASA NTRSDate not supplied

Methodology and Development of SLS Ascent Loads

The methodology and development of the Space Launch System (SLS) Block 1 Boost and Core phase Ascent loads will be presented in this paper. As is common practice, a series of fixed time/mass Finite Element Models of the vehicle were developed for the purpose of evaluating the structural loads and accelerations for particular Mach or time ranges associated with the Boost and Core phases of flight. Load contributors, which vary between bins, include the flight mechanic induced portion of the loads (e.g., Static-Elastic (STEL) or Vehicle Load Indicator (VLI) tool results), gust loads, buffet loads, Solid Rocket Booster thrust oscillations, Core Stage Engine thrust oscillations, maneuvering loads, thrust vector-related dispersions, and Programmed Test Input induced loads. Each of these load contributors will be examined in this paper, as well as the Loads Combination Equations used to generate the final loads. In addition to the typical coupled loads analysis, an Ascent loads evaluation is included in the SLS Artemis 1 Day of Launch process; a summary of this evaluation will also be presented in this paper.

SLS↗
NASA NTRSDate not supplied

Flare Ribbon Signatures of Reconnection Plasmoids

Solar flares are explosive space weather events that rapidly convert stored magnetic energy into bulk motion, plasma heating, and particle acceleration. Understanding the structure and dynamics of the magnetic reconnection that powers flares is critical for predicting the energy release. In particular, the amount of energy transferred to energetic particles is thought to be highly dependent on whether the reconnection is primarily turbulent (e.g., plasmoid dominated) or instead laminar. We present high-resolution MHD simulations of three-dimensional reconnection in an eruptive flare and compare the results to recent data. Although flare reconnection is challenging to observe directly in the corona, highly detailed constraints on its dynamics can be obtained from observations of flare ribbons that track the chromospheric footpoints of newly reconnected field lines. The analogues of flare ribbons in our simulations are identified by tracking discontinuous changes in field-line magnetic connectivity due to the reconnection. In our highest-resolution calculations, we find that these ribbon analogues are highly structured and exhibit many ‘whorl’ patterns that are linked to turbulent plasmoids in the reconnecting current sheet. Flare ribbon fine structure therefore reveals crucial information about the fundamental turbulent vs. laminar nature of the reconnection. We discuss the implications of these results for understanding reconnection-driven energy release throughout the heliosphere.

J. T. Dahlin↗
NASA NTRSDate not supplied

Atmospheric Structure Investigation: Planetary in Situ Measurements of Atmospheric State Including Clouds/Aerosols.

The Atmospheric Structure Investigation (ASI) is a sensor suite designed for descent probes into planetary atmospheres, primarily aimed at Giant planets like Saturn and Uranus, and applicable to Venus, Titan, and Earth-specific missions. ASI aims to provide essential measurements of atmospheric structure, including probe acceleration, rotation, pressure, temperature, vertical winds, aerosol properties, and hydrogen and helium composition, crucial for contextualizing other probe data.

V Jha↗
NASA NTRS2001

Accelerated Testing Methodology in Constant Stress-Rate Testing for Advanced Structural Ceramics: A Preloading Technique

Preloading technique was used as a means of an accelerated testing methodology in constant stress-rate ('dynamic fatigue') testing for two different brittle materials. The theory developed previously for fatigue strength as a function of preload was further verified through extensive constant stress-rate testing for glass-ceramic and CRT glass in room temperature distilled water. The preloading technique was also used in this study to identify the prevailing failure mechanisms at elevated temperatures, particularly at lower test rate in which a series of mechanisms would be associated simultaneously with material failure, resulting in significant strength increase or decrease. Two different advanced ceramics including SiC whisker-reinforced composite silicon nitride and 96 wt% alumina were used at elevated temperatures. It was found that the preloading technique can be used as an additional tool to pinpoint the dominant failure mechanism that is associated with such a phenomenon of considerable strength increase or decrease.

Choi, Sung R.↗
NASA NTRS2001

Accelerated Testing Methodology in Constant Stress-Rate Testing for Advanced Structural Ceramics: A Preloading Technique

Preloading technique was used as a means of an accelerated testing methodology in constant stress-rate (dynamic fatigue) testing for two different brittle materials. The theory developed previously for fatigue strength as a function of preload was further verified through extensive constant stress-rate testing for glass-ceramic and CRT glass in room temperature distilled water. The preloading technique was also used in this study to identify the prevailing failure mechanisms at elevated temperatures, particularly at lower test rates in which a series of mechanisms would be associated simultaneously with material failure, resulting in significant strength increase or decrease. Two different advanced ceramics including SiC whisker-reinforced composite silicon nitride and 96 wt% alumina were used at elevated temperatures. It was found that the preloading technique can be used as an additional tool to pinpoint the dominant failure mechanism that is associated with such a phenomenon of considerable strength increase or decrease.

Choi, Sung R.↗
DOE OSTI2024

APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics

The prediction of protein 3D structure from amino acid sequence is a computational grand challenge in biophysics and plays a key role in robust protein structure prediction algorithms, from drug discovery to genome interpretation. The advent of AI models, such as AlphaFold, is revolutionizing applications that depend on robust protein structure prediction algorithms. To maximize the impact, and ease the usability, of these AI tools we introduce APACE, AlphaFold2 and advanced computing as a service, a computational framework that effectively handles this AI model and its TB-size database to conduct accelerated protein structure prediction analyses in modern supercomputing environments. We deployed APACE in the Delta and Polaris supercomputers and quantified its performance for accurate protein structure predictions using four exemplar proteins: 6AWO, 6OAN, 7MEZ, and 6D6U. Using up to 300 ensembles, distributed across 200 NVIDIA A100 GPUs, we found that APACE is up to two orders of magnitude faster than off-the-self AlphaFold2 implementations, reducing time-to-solution from weeks to minutes. This computational approach may be readily linked with robotics laboratories to automate and accelerate scientific discovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

TeraChem protocol buffers ( TCPB ): Accelerating QM and QM/MM simulations with a client–server model

The routine use of electronic structures in many chemical simulation applications calls for efficient and easy ways to access electronic structure programs. Here, we describe how the graphics processing unit (GPU) accelerated electronic structure program TeraChem can be set up as an electronic structure server, to be easily accessed by third-party client programs. We exploit Google’s protocol buffer framework for data serialization and communication. The client interface, called TeraChem protocol buffers (TCPB), has been designed for ease of use and compatibility with multiple programming languages, such as C++, Fortran, and Python. To demonstrate the ease of coupling third-party programs with electronic structures using TCPB, we have incorporated the TCPB client into Amber for quantum mechanics/molecular mechanics (QM/MM) simulations. The TCPB interface saves time with GPU initialization and I/O operations, achieving a speedup of more than 2× compared to a prior file-based implementation for a QM region with ~250 basis functions. We demonstrate the practical application of TCPB by computing the free energy profile of p-hydroxybenzylidene-2,3-dimethylimidazolinone (p-HBDI - )—a model chromophore in green fluorescent proteins—on the first excited singlet state using Hamiltonian replica exchange for enhanced sampling. All calculations in this work have been performed with the non-commercial freely-available version of TeraChem, which is sufficient for many QM region sizes in common use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation

Molecular conformer generation (MCG) is an important task in cheminformatics and drug discovery. The ability to efficiently generate low-energy 3D structures can avoid expensive quantum mechanical simulations, leading to accelerated virtual screenings and enhanced structural exploration. Several generative models have been developed for MCG, but many struggle to consistently produce high-quality conformers for meaningful downstream applications. To address these issues, we introduce CoarsenConf, which coarse-grains molecular graphs based on torsional angles and integrates them into an SE(3)-equivariant hierarchical variational autoencoder. Through equivariant coarse-graining, we aggregate the fine-grained atomic coordinates of subgraphs connected via rotatable bonds, creating a variable-length coarse-grained latent representation. Our model uses a novel aggregated attention mechanism to restore fine-grained coordinates from the coarse-grained latent representation, enabling efficient generation of accurate conformers. Furthermore, we evaluate the chemical and biochemical quality of our generated conformers on multiple downstream applications, including property prediction and large-scale oracle-based protein docking. Overall, CoarsenConf generates more accurate conformer ensembles compared to prior generative models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Real-time testing of titanium sheet and extrusion coupon specimens subjected to Mach 2.7 supersonic cruise aircraft wing stresses and temperatures

The accuracy of three accelerated flight-by-flight test methods for material selection, and fatigue substantiation of supersonic cruise aircraft structure was studied. The real time stresses and temperatures applied to the specimens were representative of the service conditions in the lower surface of a Mach 2.7 supersonic cruise aircraft wing root structure. Each real time flight lasted about 65 minutes, including about one hour at (500 F) in the cruise condition. Center notched coupon specimens from six titanium materials were tested: mill-annealed, duplex-annealed, and triplex-annealed Ti-8Al-1Mo-1V sheets; mill-annealed Ti-8Al-1Mo-1V extrusion; mill-annealed Ti-6Al-4V sheet; and solution-treated and aged Ti-6Al-4V extrusion. For duplex-annealed Ti-8Al-1Mo-1V sheet, specimens with single spotweld were also tested. The test results were studied in conjunction with other related data from the literature for: material selection, structural fabrication, fatigue resistance of supersonic cruise aircraft structure, and fatigue test acceleration procedures for supersonic cruise aircraft.

Lunde, T.↗
NASA NTRSDate not supplied

Recent Advances in Structural Carbon Nanotube Composites

Carbon nanotubes (CNT) have been a subject of investigation for more than two decades. Part of the interest in CNTs was driven by CNT tensile mechanical properties at the nanoscale that suggest their potential to outperform state-of-the-art (SOA) lightweight structural materials. Early work on the development of CNT nanocomposites involved the dispersion of CNT powder into polymer matrices. Although low levels of CNT doping resulted in meaningful increases in electrical conductivity to enable applications such as electrostatic charge dissipation, the highest concentrations of CNTs in these lightly doped nanocomposites did not yield mechanical properties that could compete with SOA carbon fiber composites. The maximum concentration of CNTs in lightly doped nanocomposites was limited to about 5% due to increases in viscosity that prevent the fabrication of good quality nanocomposites. At the lower concentrations, properties of the resulting nanocomposites were analogous to those of composites made with very short, chopped carbon fibers. About ten years ago, CNTs became available in continuous fiber form, allowing the investigation of processing methods to incorporate much higher CNT content into composites. Recent developments in CNT composite fabrication have yielded improved mechanical properties and indicate that while some standard carbon fiber composite processing methods can be used, CNTs have unique microstructural features that require techniques tailored to access the hierarchical features of CNTs. This presentation will discuss the evolution of structural CNT mechanical property advancements and collaboration mechanisms for research across federal labs, academia, and industry that accelerated the maturation of structural CNTs.

Carbon Nanotubes↗
DOE OSTI2020

Gas density structure of supersonic flows impinged on by thin blades for laser-plasma accelerator targets

Density transition injection is an effective technique for controllably loading electrons into a trapped phase for laser plasma accelerators. One common technique to achieve the required fluid structure is to impinge a thin blade on the plume of a supersonic nozzle. Density transitions induced in this way are often assumed to be bow shocks and therefore sharp, but simulations and fluorescence measurements presented in this work show that in many cases of interest, the density transition accessible to a laser propagating transverse to the shock is an intercepting shock, and therefore, shock thickness and density vary with pressure, laser height, and blade position. The fluid dynamics of a supersonic nozzle impinged on by a thin, flat object are explored through simulations and relevant features are verified via planar laser-induced fluorescence measurements. Overall, the implications of the results for tuning electron beam injectors in laser plasma accelerators are discussed.

42 ENGINEERING↗